#------------------------------------------------------------------------------ #$Date: 2020-10-06 11:54:57 +0300 (Tue, 06 Oct 2020) $ #$Revision: 257545 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/52/7705256.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7705256 loop_ _publ_author_name 'Onn, Chee S.' 'Hill, Anthony F.' 'Olding, Angus' _publ_section_title ; Metal coordination of phosphoniocarbynes. ; _journal_issue 36 _journal_name_full 'Dalton transactions (Cambridge, England : 2003)' _journal_page_first 12731 _journal_page_last 12741 _journal_paper_doi 10.1039/d0dt02737e _journal_volume 49 _journal_year 2020 _chemical_formula_moiety '0.5(C52 H66 B2 Cl2 Cu2 N12 O4 P2 W2), F6 P' _chemical_formula_sum 'C26 H33 B Cl Cu F6 N6 O2 P2 W' _chemical_formula_weight 931.17 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens mixed _audit_creation_date 2020-07-26 _audit_creation_method ; Olex2 1.3 (compiled 2020.07.16 svn.r6f6c53a7 for OlexSys, GUI svn.r6139) ; _audit_update_record ; 2020-08-05 deposited with the CCDC. 2020-08-24 downloaded from the CCDC. ; _cell_angle_alpha 111.350(6) _cell_angle_beta 100.699(5) _cell_angle_gamma 90.294(5) _cell_formula_units_Z 4 _cell_length_a 13.3582(8) _cell_length_b 16.9977(10) _cell_length_c 17.9256(11) _cell_measurement_reflns_used 6357 _cell_measurement_temperature 150.01(10) _cell_measurement_theta_max 70.3870 _cell_measurement_theta_min 4.1660 _cell_volume 3713.2(4) _computing_cell_refinement 'CrysAlisPro 1.171.40.36a (Rigaku OD, 2018)' _computing_data_collection 'CrysAlisPro 1.171.40.36a (Rigaku OD, 2018)' _computing_data_reduction 'CrysAlisPro 1.171.40.36a (Rigaku OD, 2018)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 150.01(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 8.1297 _diffrn_detector_type EosS2 _diffrn_measured_fraction_theta_full 0.982 _diffrn_measured_fraction_theta_max 0.958 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -95.00 26.00 1.00 7.50 -- -35.53 0.00 60.00 121 2 \w -52.00 19.00 1.00 7.50 -- -35.53 57.00 90.00 71 3 \w 27.00 87.00 1.00 7.50 -- 35.53-125.00 0.00 60 4 \w -30.00 50.00 1.00 7.50 -- 35.53 -57.00-150.00 80 5 \w 11.00 74.00 1.00 7.50 -- 35.53 -99.00 150.00 63 6 \w 40.00 109.00 1.00 30.00 -- 105.15-111.00-150.00 69 7 \w 35.00 126.00 1.00 30.00 -- 105.15 -30.00 -90.00 91 8 \w 49.00 132.00 1.00 30.00 -- 105.15 -77.00-120.00 83 9 \w 89.00 172.00 1.00 30.00 -- 105.15 61.00 -60.00 83 10 \w 36.00 127.00 1.00 30.00 -- 105.15 -30.00 0.00 91 11 \w 48.00 94.00 1.00 30.00 -- 105.15 -61.00-180.00 46 12 \w 95.00 123.00 1.00 30.00 -- 105.15 -61.00-180.00 28 13 \w 36.00 109.00 1.00 30.00 -- 105.15-111.00 60.00 73 14 \w 107.00 173.00 1.00 30.00 -- 105.15 77.00 -30.00 66 15 \w 59.00 132.00 1.00 30.00 -- 105.15 -77.00 30.00 73 16 \w 34.00 134.00 1.00 30.00 -- 105.15 -15.00 150.00 100 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, EosS2' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0226294000 _diffrn_orient_matrix_UB_12 -0.0741817000 _diffrn_orient_matrix_UB_13 -0.0834367000 _diffrn_orient_matrix_UB_21 -0.0603883000 _diffrn_orient_matrix_UB_22 -0.0503423000 _diffrn_orient_matrix_UB_23 0.0356374000 _diffrn_orient_matrix_UB_31 -0.0985071000 _diffrn_orient_matrix_UB_32 0.0386322000 _diffrn_orient_matrix_UB_33 -0.0253481000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0582 _diffrn_reflns_av_unetI/netI 0.0928 _diffrn_reflns_Laue_measured_fraction_full 0.982 _diffrn_reflns_Laue_measured_fraction_max 0.958 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_number 20370 _diffrn_reflns_point_group_measured_fraction_full 0.982 _diffrn_reflns_point_group_measured_fraction_max 0.958 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 70.558 _diffrn_reflns_theta_min 3.878 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Cu) X-ray Source' _exptl_absorpt_coefficient_mu 8.381 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.61169 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.36a (Rigaku Oxford Diffraction, 2018) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear light pink' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary pink _exptl_crystal_density_diffrn 1.666 _exptl_crystal_description plate _exptl_crystal_F_000 1824 _exptl_crystal_size_max 0.148 _exptl_crystal_size_mid 0.072 _exptl_crystal_size_min 0.052 _refine_diff_density_max 2.837 _refine_diff_density_min -1.944 _refine_diff_density_rms 0.200 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.034 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 847 _refine_ls_number_reflns 13639 _refine_ls_number_restraints 142 _refine_ls_restrained_S_all 1.031 _refine_ls_R_factor_all 0.1126 _refine_ls_R_factor_gt 0.0797 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0456P)^2^+86.2570P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1821 _refine_ls_wR_factor_ref 0.2025 _reflns_Friedel_coverage 0.000 _reflns_number_gt 9649 _reflns_number_total 13639 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL co_ao_wcp_cucl_scale_a.res in P-1 co_ao6_wcp_cucl_scale.res created by SHELXL-2018/3 at 12:18:03 on 26-Jul-2020 REM Old TITL CO_AO_WCP_CuCl_scale in P-1 REM SHELXT solution in P-1: R1 0.153, Rweak 0.024, Alpha 0.105 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C63 B N10 O11 F5 P6 Cu2 CELL 1.54184 13.3582 16.9977 17.9256 111.35 100.699 90.294 ZERR 4 0.0008 0.001 0.0011 0.006 0.005 0.005 LATT 1 SFAC C H B Cl Cu F N O P W UNIT 104 132 4 4 4 24 24 8 8 4 DFIX 1.1 B1A H1A DELU 0.005 0.005 C26 C25 C24 C23 C22 C21 SIMU 0.02 0.04 1.7 C26 C21 C22 C23 C24 C25 SIMU 0.02 0.04 1.7 C18 C17 C16 C15 C14 DELU 0.005 0.005 C18 C17 C16 C15 C14 DELU 0.005 0.005 C13 C12 C11 C10 C9 SIMU 0.02 0.04 1.7 C13 C12 C11 C10 C9 EADP N1A N5A SIMU 0.02 0.04 1.7 C8 C7 C6 C5 C4 DELU 0.005 0.005 C8 C7 C6 C5 C4 L.S. 10 0 0 PLAN 20 CONF BOND list 4 MORE -1 BOND $H ABIN fmap 2 53 acta OMIT -15 3 3 REM REM REM WGHT 0.045600 86.257004 FVAR 0.19908 W1A 10 0.619737 0.182748 0.299835 11.00000 0.03857 0.03271 = 0.02785 0.01204 0.00553 0.00774 W1 10 0.506290 -0.322033 0.173055 11.00000 0.03960 0.03182 = 0.03064 0.01000 0.00830 0.00804 CU1A 5 0.612496 0.014399 0.228215 11.00000 0.03525 0.03150 = 0.02273 0.01070 0.00603 0.00686 CU1 5 0.502069 -0.167348 0.164995 11.00000 0.03714 0.03416 = 0.02940 0.01147 0.01012 0.00870 CL1 4 0.448084 -0.040470 0.161930 11.00000 0.03812 0.03387 = 0.03674 0.01114 -0.00021 0.00563 CL1A 4 0.668609 -0.117817 0.189475 11.00000 0.03635 0.03907 = 0.05685 0.01403 0.01101 0.00987 P1A 9 0.843884 0.073513 0.319730 11.00000 0.02790 0.05232 = 0.02992 0.01507 0.00120 0.01056 P2A 9 -0.025454 -0.295150 -0.128358 11.00000 0.04258 0.06915 = 0.04840 0.02718 0.01200 0.01227 P2 9 0.152497 -0.097797 0.385190 11.00000 0.04336 0.07047 = 0.04795 0.02131 0.00595 0.00283 P1 9 0.272988 -0.260225 0.093700 11.00000 0.03257 0.08433 = 0.08578 0.05175 0.00937 0.01086 N3A 7 0.481739 0.139611 0.327350 11.00000 0.02793 0.03881 = 0.02786 0.00823 0.01730 0.00086 N4A 7 0.388205 0.150220 0.289181 11.00000 0.02073 0.05348 = 0.03226 0.01515 0.00965 0.01230 N5A 7 0.530110 0.156254 0.176426 11.00000 0.03536 0.03766 = 0.03550 0.01532 0.00364 0.01140 N6A 7 0.430032 0.166484 0.165867 11.00000 0.05764 0.03228 = 0.03370 0.01433 0.00697 0.00734 O2 8 0.391791 -0.470644 0.012686 11.00000 0.06299 0.04864 = 0.03702 0.00158 -0.00858 0.00053 N1A 7 0.540374 0.302955 0.328437 11.00000 0.03536 0.03766 = 0.03550 0.01532 0.00364 0.01140 N3 7 0.614922 -0.248289 0.283130 11.00000 0.06268 0.03769 = 0.03170 0.01749 -0.00308 -0.00807 O2A 8 0.795373 0.285227 0.270111 11.00000 0.06651 0.05981 = 0.09364 0.03186 0.02832 -0.01032 F6A 6 -0.130451 -0.329652 -0.117784 11.00000 0.05176 0.10363 = 0.07972 0.04246 0.01520 0.00370 N2A 7 0.437164 0.293582 0.294707 11.00000 0.06719 0.02531 = 0.03732 0.01303 0.01632 0.01070 N5 7 0.632217 -0.321488 0.111139 11.00000 0.03175 0.04001 = 0.04755 0.00848 0.01698 0.02084 O1 8 0.362432 -0.345596 0.286663 11.00000 0.09144 0.07234 = 0.06973 0.03988 0.04692 0.01740 F4 6 0.243197 -0.044051 0.455563 11.00000 0.06393 0.12083 = 0.05630 0.02171 -0.00515 -0.01938 N4 7 0.716177 -0.265444 0.292979 11.00000 0.04883 0.05415 = 0.04114 0.02528 -0.01907 -0.01277 N6 7 0.729142 -0.325216 0.146372 11.00000 0.03156 0.05360 = 0.07378 0.02855 0.02176 0.02493 N1 7 0.579666 -0.429427 0.198710 11.00000 0.05279 0.02982 = 0.05586 0.02166 0.01355 0.02180 O1A 8 0.723035 0.258074 0.488101 11.00000 0.08824 0.07213 = 0.02747 0.00698 -0.00829 0.01457 C4 1 0.439848 -0.534365 0.181969 11.00000 0.05292 0.02885 = 0.07943 0.01865 0.01276 0.00404 AFIX 137 H4A 2 0.405743 -0.497640 0.222544 11.00000 -1.50000 H4B 2 0.437297 -0.590203 0.183490 11.00000 -1.50000 H4C 2 0.406524 -0.536739 0.128828 11.00000 -1.50000 AFIX 0 C1A 1 0.717445 0.103188 0.294178 11.00000 0.01959 0.04927 = 0.02964 0.01843 0.00383 0.01519 F2 6 0.062038 -0.148500 0.312840 11.00000 0.07953 0.16355 = 0.05594 0.01074 0.00499 -0.03066 F3A 6 -0.080035 -0.243139 -0.175232 11.00000 0.07269 0.15178 = 0.19723 0.13768 -0.02809 -0.01929 C3 1 0.429712 -0.418226 0.070144 11.00000 0.04601 0.06602 = 0.06223 0.04468 0.02308 0.01184 C1 1 0.402191 -0.258512 0.141874 11.00000 0.06405 0.02983 = 0.04391 0.00617 0.02824 0.00503 F1A 6 0.080019 -0.262391 -0.138784 11.00000 0.04113 0.18818 = 0.15158 0.11824 0.01961 0.00605 C2 1 0.411407 -0.337383 0.244211 11.00000 0.07779 0.04120 = 0.04294 0.00869 0.01382 0.01581 C5A 1 0.564387 0.383343 0.376330 11.00000 0.07885 0.03584 = 0.03955 0.01634 -0.00388 -0.00885 N2 7 0.685612 -0.423246 0.216201 11.00000 0.05096 0.04351 = 0.07375 0.02661 -0.00453 0.00721 C11A 1 0.362897 0.075447 0.362725 11.00000 0.04232 0.05488 = 0.05987 0.03089 0.02824 0.01508 AFIX 43 H11A 2 0.331537 0.044501 0.386653 11.00000 -1.20000 AFIX 0 F5A 6 0.032268 -0.354821 -0.089384 11.00000 0.07301 0.14679 = 0.23080 0.14030 -0.03628 -0.02049 C21A 1 0.898283 0.030429 0.230277 11.00000 0.02602 0.05330 = 0.04098 0.01578 0.01184 0.01149 C26A 1 0.910375 -0.054828 0.197398 11.00000 0.03397 0.06614 = 0.05162 0.02276 0.02282 0.01449 AFIX 43 H26A 2 0.892676 -0.090514 0.222570 11.00000 -1.20000 AFIX 0 C10A 1 0.467772 0.094075 0.372750 11.00000 0.06413 0.03698 = 0.03084 0.01384 0.01669 0.01167 F4A 6 -0.037804 -0.375185 -0.211563 11.00000 0.15879 0.09269 = 0.11292 0.01488 0.07568 0.02010 C6A 1 0.474637 0.428603 0.376258 11.00000 0.08373 0.02719 = 0.05607 0.01106 0.01295 0.02199 AFIX 43 H6A 2 0.468804 0.485415 0.406104 11.00000 -1.20000 AFIX 0 C2A 1 0.686089 0.231101 0.422075 11.00000 0.04345 0.04887 = 0.04857 0.02447 0.00383 0.01287 C12A 1 0.315845 0.112229 0.310331 11.00000 0.04596 0.04547 = 0.06635 0.02107 0.02144 0.00866 C7A 1 0.400874 0.371170 0.323764 11.00000 0.07059 0.03451 = 0.03671 0.00751 0.01231 0.01147 C25A 1 0.949373 -0.087618 0.125996 11.00000 0.03261 0.06265 = 0.05264 0.01554 0.02031 0.01501 AFIX 43 H25A 2 0.957966 -0.145197 0.103395 11.00000 -1.20000 AFIX 0 C3A 1 0.731175 0.248321 0.281187 11.00000 0.03564 0.03486 = 0.06170 0.00836 -0.00845 0.00541 C19A 1 0.842773 -0.002196 0.368373 11.00000 0.03580 0.08852 = 0.03771 0.03113 -0.00369 0.01449 AFIX 137 H19A 2 0.803706 -0.053348 0.330671 11.00000 -1.50000 H19B 2 0.812459 0.020910 0.415595 11.00000 -1.50000 H19C 2 0.911562 -0.014538 0.384803 11.00000 -1.50000 AFIX 0 C16A 1 0.466730 0.109172 0.044053 11.00000 0.08271 0.05513 = 0.02570 0.01888 0.00849 0.02035 AFIX 43 H16A 2 0.461505 0.086270 -0.012328 11.00000 -1.20000 AFIX 0 C4A 1 0.670344 0.419839 0.423108 11.00000 0.05977 0.03604 = 0.07526 -0.00342 -0.01948 0.00375 AFIX 137 H4AA 2 0.681403 0.413905 0.475205 11.00000 -1.50000 H4AB 2 0.677610 0.478775 0.431249 11.00000 -1.50000 H4AC 2 0.719638 0.390126 0.392724 11.00000 -1.50000 AFIX 0 C9A 1 0.556083 0.070647 0.424585 11.00000 0.07457 0.05513 = 0.04350 0.02646 0.02163 0.02055 AFIX 137 H9AA 2 0.593484 0.030017 0.389765 11.00000 -1.50000 H9AB 2 0.530437 0.046568 0.458840 11.00000 -1.50000 H9AC 2 0.600464 0.120464 0.458099 11.00000 -1.50000 AFIX 0 C22A 1 0.922339 0.085753 0.192711 11.00000 0.04844 0.06843 = 0.04606 0.02936 0.01550 0.01278 AFIX 43 H22A 2 0.911681 0.142997 0.214492 11.00000 -1.20000 AFIX 0 C10 1 0.602486 -0.182996 0.351209 11.00000 0.11159 0.04285 = 0.03214 0.01438 0.01074 -0.01705 C17 1 0.792538 -0.321582 0.097860 11.00000 0.04507 0.05359 = 0.08846 0.02314 0.04776 0.02169 C17A 1 0.387703 0.137289 0.084686 11.00000 0.06961 0.04511 = 0.02452 0.02318 -0.00536 0.01167 F2A 6 -0.007409 -0.225071 -0.044427 11.00000 0.15505 0.18959 = 0.06999 -0.05258 0.04815 -0.05498 C15A 1 0.556666 0.121539 0.103648 11.00000 0.05794 0.04598 = 0.02320 0.01808 0.00814 0.01352 C15 1 0.636275 -0.312617 0.040788 11.00000 0.06441 0.03300 = 0.04372 0.00926 0.02641 0.00695 C23A 1 0.962392 0.052902 0.122310 11.00000 0.08849 0.07634 = 0.05612 0.03612 0.03378 0.00974 AFIX 43 H23A 2 0.980563 0.088885 0.097599 11.00000 -1.20000 AFIX 0 C5 1 0.544862 -0.502119 0.198545 11.00000 0.05550 0.03748 = 0.04356 0.00691 0.01948 0.00663 C21 1 0.197327 -0.338575 0.110075 11.00000 0.03096 0.06057 = 0.09744 0.01686 0.01961 0.01674 C8A 1 0.287067 0.385185 0.300523 11.00000 0.03672 0.05580 = 0.06656 0.02135 0.00934 0.02996 AFIX 137 H8AA 2 0.268686 0.371867 0.242650 11.00000 -1.50000 H8AB 2 0.275963 0.443308 0.329085 11.00000 -1.50000 H8AC 2 0.245766 0.349096 0.315379 11.00000 -1.50000 AFIX 0 C14A 1 0.660502 0.100593 0.088347 11.00000 0.08198 0.05998 = 0.04124 0.02477 0.02222 0.02414 AFIX 137 H14A 2 0.707276 0.150097 0.116547 11.00000 -1.50000 H14B 2 0.659155 0.081545 0.030724 11.00000 -1.50000 H14C 2 0.682262 0.056583 0.107867 11.00000 -1.50000 AFIX 0 C20A 1 0.926887 0.164236 0.390424 11.00000 0.03203 0.08510 = 0.05391 0.01207 -0.00484 0.00143 AFIX 137 H20A 2 0.994185 0.146979 0.403162 11.00000 -1.50000 H20B 2 0.900698 0.188237 0.439656 11.00000 -1.50000 H20C 2 0.929972 0.205794 0.366094 11.00000 -1.50000 AFIX 0 B1A 3 0.378140 0.207070 0.238715 11.00000 0.03556 0.04649 = 0.03528 0.01488 0.00875 0.00551 C6 1 0.631271 -0.545865 0.215665 11.00000 0.06278 0.04635 = 0.05582 0.02464 0.00272 0.01103 AFIX 43 H6 2 0.630035 -0.599350 0.218625 11.00000 -1.20000 AFIX 0 F5 6 0.220093 -0.102633 0.324335 11.00000 0.19159 0.24141 = 0.12766 -0.08415 0.10929 -0.13864 C9 1 0.500426 -0.148866 0.361879 11.00000 0.13562 0.05159 = 0.05734 0.01093 0.06249 -0.00486 AFIX 137 H9A 2 0.474344 -0.129226 0.318684 11.00000 -1.50000 H9B 2 0.508013 -0.102667 0.413641 11.00000 -1.50000 H9C 2 0.453688 -0.192890 0.360130 11.00000 -1.50000 AFIX 0 C7 1 0.716308 -0.494806 0.226938 11.00000 0.05943 0.05246 = 0.07846 0.03039 0.00277 0.01355 F3 6 0.079438 -0.084048 0.443687 11.00000 0.11195 0.33151 = 0.04960 -0.01445 0.02077 -0.09579 C16 1 0.738212 -0.311119 0.031584 11.00000 0.07490 0.05379 = 0.06657 0.01346 0.04415 0.01160 AFIX 43 H16 2 0.762834 -0.304351 -0.011130 11.00000 -1.20000 AFIX 0 C13A 1 0.204720 0.109756 0.278026 11.00000 0.03276 0.07709 = 0.08758 0.03263 0.01869 0.01228 AFIX 137 H13A 2 0.183790 0.166481 0.293518 11.00000 -1.50000 H13B 2 0.167500 0.078058 0.300182 11.00000 -1.50000 H13C 2 0.190997 0.083129 0.219483 11.00000 -1.50000 AFIX 0 C14 1 0.542538 -0.301485 -0.013780 11.00000 0.08209 0.05984 = 0.03513 0.01057 0.01384 0.00017 AFIX 137 H14D 2 0.494448 -0.349834 -0.030514 11.00000 -1.50000 H14E 2 0.560856 -0.296171 -0.061143 11.00000 -1.50000 H14F 2 0.512225 -0.251313 0.015339 11.00000 -1.50000 AFIX 0 C12 1 0.764045 -0.208894 0.368787 11.00000 0.09985 0.08588 = 0.06806 0.05131 -0.03040 -0.04119 C26 1 0.171347 -0.316220 0.185749 11.00000 0.02991 0.07951 = 0.11293 0.02593 0.03533 0.00828 AFIX 43 H26 2 0.186382 -0.260299 0.221890 11.00000 -1.20000 AFIX 0 C24A 1 0.975582 -0.032728 0.088503 11.00000 0.04915 0.09404 = 0.05253 0.02855 0.02670 0.01258 AFIX 43 H24A 2 1.001751 -0.054027 0.041028 11.00000 -1.20000 AFIX 0 C22 1 0.172151 -0.422411 0.057131 11.00000 0.05278 0.06404 = 0.11167 0.01877 0.01503 0.00563 AFIX 43 H22 2 0.186960 -0.439923 0.005090 11.00000 -1.20000 AFIX 0 C18A 1 0.275516 0.134968 0.050703 11.00000 0.07982 0.06851 = 0.04920 0.01991 -0.00014 0.02239 AFIX 137 H18A 2 0.239623 0.089466 0.057054 11.00000 -1.50000 H18B 2 0.265457 0.126215 -0.006276 11.00000 -1.50000 H18C 2 0.249849 0.187740 0.079637 11.00000 -1.50000 AFIX 0 C8 1 0.826633 -0.509314 0.244738 11.00000 0.05858 0.07672 = 0.13867 0.06671 0.01169 0.02454 AFIX 137 H8A 2 0.859177 -0.503186 0.203487 11.00000 -1.50000 H8B 2 0.833136 -0.565473 0.244905 11.00000 -1.50000 H8C 2 0.858655 -0.468628 0.297288 11.00000 -1.50000 AFIX 0 C11 1 0.692918 -0.159169 0.402464 11.00000 0.14448 0.07342 = 0.03666 0.02977 -0.01786 -0.03634 AFIX 43 H11 2 0.705173 -0.115236 0.453400 11.00000 -1.20000 AFIX 0 F1 6 0.183062 -0.176186 0.390305 11.00000 0.20566 0.11091 = 0.42717 0.15398 -0.15389 -0.01790 F6 6 0.122119 -0.014301 0.378398 11.00000 0.19299 0.14864 = 0.25944 0.11395 -0.06112 -0.00311 C25 1 0.124479 -0.371813 0.210916 11.00000 0.06285 0.08686 = 0.12279 0.03598 0.02966 -0.00388 AFIX 43 H25 2 0.106706 -0.354026 0.261958 11.00000 -1.20000 AFIX 0 B1 3 0.751715 -0.341678 0.227208 11.00000 0.05206 0.06018 = 0.08952 0.04814 -0.00595 -0.00145 C19 1 0.221735 -0.161559 0.131155 11.00000 0.05787 0.06416 = 0.27437 0.09698 0.04805 0.01656 AFIX 137 H19D 2 0.227340 -0.144000 0.189187 11.00000 -1.50000 H19E 2 0.151096 -0.166532 0.105196 11.00000 -1.50000 H19F 2 0.258800 -0.120304 0.119523 11.00000 -1.50000 AFIX 0 C23 1 0.126170 -0.479475 0.080001 11.00000 0.06389 0.06588 = 0.13516 0.02922 0.02563 0.01038 AFIX 43 H23 2 0.108904 -0.535157 0.043818 11.00000 -1.20000 AFIX 0 C24 1 0.105491 -0.452822 0.158668 11.00000 0.06459 0.07785 = 0.13357 0.04288 0.02196 0.01078 AFIX 43 H24 2 0.077721 -0.492351 0.175418 11.00000 -1.20000 AFIX 0 C18 1 0.907117 -0.320138 0.123530 11.00000 0.04461 0.09325 = 0.14900 0.04415 0.05304 0.03242 AFIX 137 H18D 2 0.930019 -0.275369 0.175754 11.00000 -1.50000 H18E 2 0.939609 -0.310700 0.083702 11.00000 -1.50000 H18F 2 0.924490 -0.373429 0.127439 11.00000 -1.50000 AFIX 0 C13 1 0.876055 -0.212800 0.396660 11.00000 0.10644 0.12746 = 0.10687 0.08312 -0.06808 -0.05760 AFIX 137 H13D 2 0.888131 -0.266957 0.400492 11.00000 -1.50000 H13E 2 0.899426 -0.168797 0.449300 11.00000 -1.50000 H13F 2 0.912448 -0.205150 0.358066 11.00000 -1.50000 AFIX 0 C20 1 0.270238 -0.288508 -0.012676 11.00000 0.03999 0.31850 = 0.12462 0.15418 -0.01364 -0.00387 AFIX 137 H20D 2 0.291206 -0.344890 -0.034841 11.00000 -1.50000 H20E 2 0.315949 -0.249544 -0.020225 11.00000 -1.50000 H20F 2 0.202076 -0.286328 -0.040275 11.00000 -1.50000 AFIX 0 H1 2 0.834681 -0.349709 0.246663 11.00000 0.04590 H1A 2 0.295957 0.210502 0.217019 11.00000 0.01350 HKLF 4 REM co_ao_wcp_cucl_scale_a.res in P-1 REM wR2 = 0.2025, GooF = S = 1.034, Restrained GooF = 1.031 for all data REM R1 = 0.0797 for 9649 Fo > 4sig(Fo) and 0.1126 for all 13639 data REM 847 parameters refined using 142 restraints END WGHT 0.0455 86.2299 REM Highest difference peak 2.837, deepest hole -1.944, 1-sigma level 0.200 Q1 1 0.6561 0.4012 0.3148 11.00000 0.05 2.84 Q2 1 0.5344 -0.1015 0.2044 11.00000 0.05 2.79 Q3 1 0.6197 0.1224 0.2826 11.00000 0.05 2.68 Q4 1 0.6355 0.2392 0.3173 11.00000 0.05 2.49 Q5 1 0.4390 -0.3206 0.1605 11.00000 0.05 2.48 Q6 1 0.6990 0.1853 0.3162 11.00000 0.05 2.46 Q7 1 0.5016 -0.3787 0.1602 11.00000 0.05 2.41 Q8 1 0.5518 0.1841 0.2777 11.00000 0.05 2.14 Q9 1 0.5171 -0.2732 0.1785 11.00000 0.05 2.08 Q10 1 0.5675 -0.0389 0.2791 11.00000 0.05 1.90 Q11 1 0.5938 -0.3183 0.1980 11.00000 0.05 1.83 Q12 1 0.4483 -0.5398 0.1393 11.00000 0.05 1.51 Q13 1 0.5234 -0.1571 0.2366 11.00000 0.05 1.33 Q14 1 0.6874 0.0260 0.2527 11.00000 0.05 1.28 Q15 1 0.4578 -0.3922 0.1362 11.00000 0.05 1.20 Q16 1 -0.0810 -0.1998 -0.0966 11.00000 0.05 1.20 Q17 1 0.5156 -0.2206 0.1591 11.00000 0.05 1.20 Q18 1 0.5248 0.1228 0.2831 11.00000 0.05 1.17 Q19 1 0.6012 -0.2609 0.1973 11.00000 0.05 1.15 Q20 1 0.5160 -0.0377 0.1945 11.00000 0.05 1.14 REM The information below was added by Olex2. REM REM R1 = 0.0797 for 9649 Fo > 4sig(Fo) and 0.1126 for all 20371 data REM 847 parameters refined using n/a restraints REM Highest difference peak 2.84, deepest hole -1.94 REM Mean Shift 0, Max Shift -0.001. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.1126 REM R1_gt = 0.0797 REM wR_ref = 0.2025 REM GOOF = 1.034 REM Shift_max = -0.001 REM Shift_mean = 0 REM Reflections_all = 20371 REM Reflections_gt = 9649 REM Parameters = 847 REM Hole = -1.94 REM Peak = 2.84 REM Flack = n/a ; _cod_data_source_file d0dt02737e2.cif _cod_data_source_block Compound_5 _cod_depositor_comments 'Adding full bibliography for 7705254--7705258.cif.' _cod_database_code 7705256 _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula 'C36 H48 Cu1 B1 F6 N6 O2 P2 W1' _chemical_oxdiff_usercomment D/H _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _reflns_odcompleteness_completeness 97.99 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 68.13 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances B1A-H1A 1.1 with sigma of 0.02 3. Rigid bond restraints C26, C25, C24, C23, C22, C21 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005 C18, C17, C16, C15, C14 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005 C13, C12, C11, C10, C9 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005 C8, C7, C6, C5, C4 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005 4. Uiso/Uaniso restraints and constraints C26 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25: within 1.7A with sigma of 0.02 and sigma for terminal atoms of 0.04 within 1.7A C18 \\sim C17 \\sim C16 \\sim C15 \\sim C14: within 1.7A with sigma of 0.02 and sigma for terminal atoms of 0.04 within 1.7A C13 \\sim C12 \\sim C11 \\sim C10 \\sim C9: within 1.7A with sigma of 0.02 and sigma for terminal atoms of 0.04 within 1.7A C8 \\sim C7 \\sim C6 \\sim C5 \\sim C4: within 1.7A with sigma of 0.02 and sigma for terminal atoms of 0.04 within 1.7A Uanis(N1A) = Uanis(N5A) 5.a Aromatic/amide H refined with riding coordinates: C11A(H11A), C26A(H26A), C6A(H6A), C25A(H25A), C16A(H16A), C22A(H22A), C23A(H23A), C6(H6), C16(H16), C26(H26), C24A(H24A), C22(H22), C11(H11), C25(H25), C23(H23), C24(H24) 5.b Idealised Me refined as rotating group: C4(H4A,H4B,H4C), C19A(H19A,H19B,H19C), C4A(H4AA,H4AB,H4AC), C9A(H9AA,H9AB, H9AC), C8A(H8AA,H8AB,H8AC), C14A(H14A,H14B,H14C), C20A(H20A,H20B,H20C), C9(H9A, H9B,H9C), C13A(H13A,H13B,H13C), C14(H14D,H14E,H14F), C18A(H18A,H18B,H18C), C8(H8A,H8B,H8C), C19(H19D,H19E,H19F), C18(H18D,H18E,H18F), C13(H13D,H13E,H13F), C20(H20D,H20E,H20F) ; _smtbx_masks_special_details ; A solvent mask was calculated and 120 electrons were found in a volume of 547 Ang^3^ in 2 voids per unit cell. This is consistent with the presence of 2[CHCl3] per Asymmetric Unit which account for 464 electrons per unit cell. ; _smtbx_masks_void_probe_radius 1.2 _smtbx_masks_void_truncation_radius 1.2 _shelx_fab_file ; -16 -1 1 0.2641 -0.1405 -16 -1 2 -0.3337 0.5929 -16 -1 4 -6.2917 -0.1934 -16 -1 6 -7.8845 -0.1757 -16 0 5 -10.4174 0.0684 -16 0 6 8.4901 0.0894 -16 0 7 -5.4706 -0.2304 -16 1 2 -5.3556 -0.9776 -16 1 3 3.3279 0.1143 -16 1 4 -2.0182 0.3747 -16 1 5 2.9697 -0.1377 -16 1 6 -3.9923 -0.4944 -16 1 7 2.1798 0.8788 -16 2 1 5.9235 -0.1107 -16 2 2 -9.1329 0.0961 -16 2 3 11.3421 0.1350 -16 2 4 -9.2794 -0.1416 -16 2 5 3.3991 -0.2452 -16 2 6 1.7946 0.6874 -16 3 1 -4.8070 -1.0898 -16 3 2 7.0393 0.4965 -16 3 3 -8.0434 -0.0727 -16 3 4 6.7526 -0.0744 -16 3 5 -3.3484 0.0722 -15 -7 6 -1.1910 0.3219 -15 -7 7 -2.3397 -0.1513 -15 -7 8 4.4303 0.1351 -15 -7 9 -3.5610 -0.2905 -15 -6 3 -2.9551 0.5098 -15 -6 4 2.4348 -0.1096 -15 -6 5 -2.3141 -0.0309 -15 -6 6 0.8655 -0.1070 -15 -6 7 2.2623 0.1639 -15 -6 8 -4.8958 -0.0083 -15 -6 9 4.8285 -0.0636 -15 -6 10 -2.4142 -0.1440 -15 -5 1 3.0275 -0.9906 -15 -5 2 -1.4392 1.0651 -15 -5 3 -1.5556 -0.4722 -15 -5 4 2.9185 -0.1271 -15 -5 5 -0.9630 0.2378 -15 -5 6 -2.9146 -0.0822 -15 -5 7 5.6818 0.1087 -15 -5 8 -5.4972 -0.2950 -15 -5 9 3.1345 0.2731 -15 -5 10 -0.9176 0.0380 -15 -4 1 -0.0178 0.0205 -15 -4 2 -0.7577 -0.1060 -15 -4 3 3.1743 -0.0574 -15 -4 4 -3.8158 0.1659 -15 -4 5 -0.9465 -0.1702 -15 -4 7 -17.3024 -0.2214 -15 -4 8 17.4322 0.1040 -15 -4 9 -11.0802 0.1444 -15 -4 10 3.8933 -0.3399 -15 -3 1 0.0618 1.5207 -15 -3 2 -2.3233 -1.1219 -15 -3 3 1.8392 0.4507 -15 -3 4 -1.4024 0.0085 -15 -3 5 4.4682 -0.0145 -15 -3 7 13.5669 0.1147 -15 -3 8 -11.6561 0.1340 -15 -3 10 -1.4094 0.1645 -15 -2 1 -1.4323 -1.3598 -15 -2 2 3.7087 0.9052 -15 -2 3 -3.8985 -0.2114 -15 -2 4 2.8472 -0.1348 -15 -2 5 -1.4151 0.0874 -15 -2 6 -0.1634 -0.0093 -15 -2 7 1.3773 0.0854 -15 -2 8 -1.4677 -0.1425 -15 -2 9 0.6770 0.0221 -15 -1 1 -3.3734 -0.2501 -15 -1 2 3.1332 0.1076 -15 -1 3 -2.2095 0.0489 -15 -1 4 1.8712 -0.1306 -15 -1 7 -1.9170 -0.4078 -15 -1 8 -2.4681 0.3097 -15 -1 9 5.4587 -0.1416 -15 -1 10 -3.9992 0.0805 -15 0 1 2.8205 1.2141 -15 0 2 -3.4474 -0.6169 -15 0 3 4.4169 -0.0379 -15 0 4 -5.3990 0.2548 -15 0 6 -0.0080 -0.2740 -15 0 7 -7.3161 0.3161 -15 0 8 13.1743 -0.1817 -15 0 9 -13.4042 0.0641 -15 0 10 7.9213 0.0045 -15 1 1 10.7324 -0.8323 -15 1 2 -8.2901 0.6466 -15 1 3 0.5662 -0.3579 -15 1 5 -10.2477 0.0016 -15 1 6 6.0705 -0.1903 -15 1 7 1.1887 0.3456 -15 1 8 -6.6238 -0.3940 -15 1 9 7.8714 0.3975 -15 1 10 -5.5216 -0.4311 -15 2 1 -14.1099 -0.3512 -15 2 2 13.8419 -0.1566 -15 2 5 10.9389 -0.1336 -15 2 6 -14.5329 0.5086 -15 2 7 13.9244 -0.5380 -15 2 8 -10.3425 0.3023 -15 2 9 5.7283 -0.0786 -15 2 10 -2.3800 -0.0159 -15 3 1 1.3867 1.2087 -15 3 2 -11.5507 -0.7661 -15 3 4 -16.1493 -0.2460 -15 3 5 5.4000 0.2831 -15 3 6 7.8900 -0.2435 -15 3 7 -16.6514 -0.0203 -15 3 8 17.8982 0.4186 -15 3 9 -13.8402 -0.7319 -15 4 1 6.8090 -0.6041 -15 4 2 8.3360 0.9647 -15 4 3 -24.5178 -0.9469 -15 4 4 29.3600 0.5502 -15 4 5 -20.1747 -0.0635 -15 4 6 4.6806 -0.2318 -15 4 7 7.4304 0.3274 -15 4 8 -11.8881 -0.4008 -15 4 9 10.1824 0.5084 -15 5 1 -10.2928 -0.7350 -15 5 2 3.6338 -0.0783 -15 5 3 9.2391 0.3820 -15 5 4 -17.5873 -0.0511 -15 5 5 16.8737 -0.3827 -15 5 6 -10.2191 0.3697 -15 5 7 3.2725 0.0569 -15 5 8 0.4130 -0.4407 -15 6 1 13.2129 1.1257 -15 6 2 -16.9195 -0.7386 -15 6 3 11.1137 0.3956 -15 6 4 -0.8913 -0.3309 -15 6 5 -7.2800 0.2752 -15 6 6 10.0028 0.0873 -15 7 1 -7.0482 -0.7252 -15 7 2 15.2934 0.9857 -15 7 3 -15.2337 -0.6771 -15 7 4 7.6001 0.1643 -14 -10 5 -1.1908 -0.2340 -14 -10 6 1.1785 -0.3999 -14 -10 7 0.3157 0.4743 -14 -10 8 -2.0791 -0.1329 -14 -10 9 2.7086 -0.0619 -14 -10 10 -2.0040 -0.0792 -14 -9 3 1.6827 0.7990 -14 -9 4 -3.0573 -0.4696 -14 -9 5 3.5588 -0.1448 -14 -9 6 -1.9554 0.4586 -14 -9 7 -1.0240 -0.2678 -14 -9 8 3.2227 -0.0343 -14 -9 9 -3.4466 0.0496 -14 -9 10 2.4206 0.0997 -14 -9 11 -1.4156 -0.0433 -14 -9 12 0.8972 -0.2351 -14 -8 2 0.4265 -0.4029 -14 -8 3 -1.3776 0.3168 -14 -8 4 2.0159 -0.3365 -14 -8 5 -1.9078 0.2814 -14 -8 6 0.9155 -0.0367 -14 -8 7 0.2871 -0.2396 -14 -8 8 -0.8034 0.3089 -14 -8 9 0.6000 -0.1591 -14 -8 10 -0.4154 0.0126 -14 -8 11 0.5814 -0.0640 -14 -8 12 -0.6125 0.2758 -14 -8 13 0.1528 -0.4225 -14 -7 1 -2.7973 -0.4502 -14 -7 2 1.9897 0.7808 -14 -7 3 -1.5842 -0.8407 -14 -7 4 1.0914 0.4605 -14 -7 5 0.1390 0.1177 -14 -7 6 -1.6328 -0.4872 -14 -7 7 2.4111 0.4964 -14 -7 8 -2.2063 -0.2915 -14 -7 9 1.4201 0.0333 -14 -7 10 -0.4601 0.2034 -14 -7 11 -0.2562 -0.2781 -14 -7 12 0.1796 0.0241 -14 -7 13 0.7394 0.4412 -14 -6 1 1.5966 -0.6475 -14 -6 2 -1.2296 0.0001 -14 -6 3 1.3150 0.2755 -14 -6 4 -0.7116 -0.0453 -14 -6 5 -1.1029 -0.2188 -14 -6 6 2.8443 0.1806 -14 -6 7 -3.0995 -0.0004 -14 -6 8 2.0307 -0.0989 -14 -6 9 -0.7365 0.2116 -14 -6 10 -0.1402 -0.4443 -14 -6 11 0.4812 0.5331 -14 -6 12 -0.1880 -0.1377 -14 -6 13 -0.5878 -0.5881 -14 -6 14 1.1767 1.0704 -14 -5 1 2.8733 1.1243 -14 -5 2 -2.2096 -0.7238 -14 -5 3 0.4134 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5 -1.7481 0.8206 12 -2 6 0.1090 -0.4142 12 -2 7 1.7453 -0.1778 12 -2 8 -1.9694 0.4101 12 -2 9 0.7602 -0.0292 12 -2 10 -0.0239 -0.6129 12 -1 0 -4.4703 0.3265 12 -1 1 5.0287 0.3641 12 -1 2 -3.2692 -0.7322 12 -1 3 2.1126 0.5551 12 -1 4 -2.9252 0.0613 12 -1 5 3.6471 -0.6239 12 -1 6 -1.8200 0.6113 12 -1 7 -1.4152 -0.0232 12 -1 8 2.5452 -0.5456 12 -1 9 -0.6906 0.5175 12 -1 10 -1.1658 0.0461 12 0 0 8.8604 -2.0902 12 0 1 -9.0445 1.4826 12 0 2 5.6024 -0.4342 12 0 3 -2.3485 -0.3629 12 0 4 1.4174 0.4861 12 0 5 -1.1900 -0.1287 12 0 6 -0.1304 -0.2010 12 0 7 1.0741 0.2108 12 0 8 0.7388 -0.0048 12 0 9 -4.1855 -0.1551 12 0 10 5.5114 0.1445 12 1 0 -2.6128 1.4561 12 1 1 2.8064 -1.5391 12 1 2 -1.7459 1.0300 12 1 3 0.4066 -0.2717 12 1 4 0.7830 -0.3739 12 1 5 -2.1122 0.6295 12 1 6 3.2153 -0.3880 12 1 7 -2.7149 -0.1432 12 1 8 0.1387 0.5244 12 1 9 2.6095 -0.4671 12 2 0 -1.8033 0.9563 12 2 1 -0.2977 -0.3110 12 2 2 2.0961 -0.3157 12 2 3 -1.9762 0.4735 12 2 4 0.0799 -0.0451 12 2 5 2.1857 -0.5114 12 2 6 -3.6625 0.6256 12 2 7 3.8611 -0.2374 12 2 8 -2.7601 -0.2198 12 2 9 1.0887 0.3684 12 3 0 -0.2571 -2.0979 12 3 1 1.5515 1.6153 12 3 2 -1.9673 -0.6382 12 3 3 0.8669 -0.1719 12 3 4 0.6365 0.4289 12 3 5 -1.4955 -0.2464 12 3 6 2.0008 -0.0570 12 3 7 -2.4839 0.2624 12 3 8 2.2729 -0.2749 12 3 9 -1.0165 0.0845 12 4 0 0.1974 0.7220 12 4 1 1.1188 -0.9388 12 4 2 -2.2215 0.7636 12 4 3 2.4869 -0.2478 12 4 4 -1.6312 -0.3771 12 4 5 0.4813 0.7366 12 4 6 -0.3044 -0.5928 12 4 7 1.1228 0.1065 12 4 8 -1.6369 0.2832 12 5 0 1.9471 1.3148 12 5 1 -3.3603 -0.6390 12 5 2 2.6636 -0.1534 12 5 3 -0.4862 0.5084 12 5 4 -1.7369 -0.3322 12 5 5 2.7736 0.0112 12 5 6 -2.1251 0.0746 12 5 7 0.3524 0.1199 12 6 0 -3.7542 -1.7652 12 6 1 3.2103 1.3425 12 6 2 -0.1014 -0.5054 12 6 3 -3.3204 -0.2686 12 6 4 5.4064 0.7417 12 6 5 -5.8142 -0.8999 12 6 6 4.6376 0.8115 12 7 0 4.3416 0.2103 12 7 1 -3.0654 -0.4250 12 7 2 0.1163 0.5172 12 7 3 2.5053 -0.4116 12 7 4 -3.9275 0.0926 12 7 5 4.1639 0.2647 12 8 0 -2.1227 1.5726 12 8 1 2.0539 -1.0698 12 8 2 -0.9740 0.1489 12 8 3 -0.1495 0.7268 12 8 4 0.6485 -1.1235 12 9 0 0.2145 -1.3316 12 9 1 -0.9368 1.1710 12 9 2 0.3789 -0.4887 12 9 3 0.4097 -0.4172 12 10 0 -1.6927 -0.6112 12 10 1 1.8603 0.3209 12 10 2 -0.5067 -0.1074 12 11 0 3.2504 1.5860 12 11 1 -2.8146 -1.3231 13 -12 1 -2.0424 -1.8542 13 -12 2 1.7466 0.6367 13 -11 0 3.7298 -2.1117 13 -11 1 -4.5149 1.6149 13 -11 2 3.7644 -0.5362 13 -11 3 -2.5667 -0.5979 13 -11 4 1.8712 1.1242 13 -10 0 -5.5247 0.1201 13 -10 1 2.4554 -0.4917 13 -10 2 1.0910 0.5820 13 -10 3 -4.4101 -0.2376 13 -10 4 7.4917 -0.2918 13 -9 2 -7.5435 -0.4620 13 -9 3 13.3896 0.9259 13 -9 4 -21.7693 -0.5469 13 -9 5 27.4135 -0.1551 13 -9 6 -25.5953 0.3722 13 -9 7 17.5721 0.1423 13 -8 0 1.9121 -1.6530 13 -8 1 3.4164 1.4110 13 -8 2 -5.6707 -0.6171 13 -8 3 -1.2295 -0.1505 13 -8 4 14.6667 0.3360 13 -8 5 -24.6830 0.0128 13 -8 6 24.0853 -0.3054 13 -8 7 -15.3484 0.0783 13 -8 8 6.4001 0.5155 13 -7 0 1.0911 0.1956 13 -7 1 -11.1031 -0.9249 13 -7 2 16.7768 1.1129 13 -7 3 -12.5411 -0.6758 13 -7 4 0.9890 0.0861 13 -7 5 9.1655 0.1757 13 -7 6 -11.3518 -0.0923 13 -7 7 6.6921 -0.0181 13 -7 8 -1.2762 -0.0697 13 -6 0 3.9791 1.7831 13 -6 1 1.8268 -0.8330 13 -6 2 -6.5725 -0.0404 13 -6 3 7.6073 0.3318 13 -6 4 -4.4644 -0.1357 13 -6 5 0.3181 -0.1182 13 -6 6 0.5984 0.1481 13 -6 7 2.3010 0.0204 13 -6 8 -5.0966 -0.2012 13 -6 9 4.0603 0.2157 13 -5 0 -2.8269 -1.6448 13 -5 1 5.0595 1.4600 13 -5 2 -4.8940 -0.9146 13 -5 3 2.4064 0.3155 13 -5 4 -0.1291 0.1154 13 -5 5 -1.4602 -0.2874 13 -5 6 4.2132 0.2291 13 -5 7 -8.0584 -0.0887 13 -5 8 9.6618 0.0489 13 -5 9 -6.7687 -0.1532 13 -4 0 -0.7151 -0.5034 13 -4 1 -4.2485 -0.2157 13 -4 2 6.0451 0.6601 13 -4 3 -4.5780 -0.5690 13 -4 4 1.8111 0.0755 13 -4 5 1.4364 0.3876 13 -4 6 -5.1410 -0.4533 13 -4 7 7.8946 0.1455 13 -4 8 -7.6475 0.1570 13 -4 9 4.5935 -0.1163 13 -3 0 -6.4060 1.8312 13 -3 1 4.8928 -1.0882 13 -3 2 -1.8619 0.1774 13 -3 3 -0.8769 0.3686 13 -3 4 2.3132 -0.3436 13 -3 5 -2.5391 -0.0158 13 -3 6 1.8418 0.2608 13 -3 7 -0.2637 -0.1443 13 -3 8 -1.7559 -0.1518 13 -3 9 3.1015 0.2457 13 -2 0 9.9976 -1.0247 13 -2 1 -3.7070 1.1539 13 -2 2 -2.4367 -0.8205 13 -2 3 5.4093 0.2244 13 -2 4 -4.0841 0.2251 13 -2 5 -0.3019 -0.2781 13 -2 6 4.9289 0.0905 13 -2 7 -7.4636 -0.0030 13 -2 8 7.5320 0.1151 13 -2 9 -6.0777 -0.2181 13 -1 0 -5.5369 -0.7966 13 -1 1 4.0023 -0.0493 13 -1 2 -0.4659 0.5603 13 -1 3 -1.6418 -0.4777 13 -1 4 -0.1873 0.0851 13 -1 5 4.2597 0.2123 13 -1 6 -6.3605 -0.2997 13 -1 7 4.8278 0.2954 13 -1 8 -2.0364 -0.2689 13 -1 9 0.4970 0.1905 13 0 0 3.8302 1.7613 13 0 1 -7.1860 -1.2128 13 0 2 5.2403 0.5450 13 0 3 -2.0846 -0.0450 13 0 4 1.3910 -0.1623 13 0 5 -2.0867 0.0575 13 0 6 1.1383 0.2436 13 0 7 1.3025 -0.4893 13 0 8 -2.3184 0.4743 13 1 0 -1.0843 -0.8378 13 1 1 4.1703 1.2285 13 1 2 -2.7785 -1.1049 13 1 3 -0.4112 0.4853 13 1 4 2.4922 0.1565 13 1 5 -3.0051 -0.3743 13 1 6 2.7640 0.1864 13 1 7 -1.7189 0.0595 13 1 8 -0.5292 -0.1169 13 2 0 -2.7931 -0.9016 13 2 1 0.3075 0.0841 13 2 2 0.4044 0.3327 13 2 3 1.5654 -0.2210 13 2 4 -4.5144 -0.1064 13 2 5 5.9022 0.3925 13 2 6 -4.8347 -0.5986 13 2 7 2.2955 0.6904 13 3 0 1.5990 1.5044 13 3 1 0.5771 -1.2069 13 3 2 -2.7280 0.7130 13 3 3 1.9251 -0.1490 13 3 5 -3.2561 0.1719 13 3 6 3.6107 0.2464 13 3 7 -2.8338 -0.6006 13 4 0 -1.7545 -0.5637 13 4 1 0.8631 0.9825 13 4 2 2.4495 -0.8364 13 4 3 -5.2386 0.2415 13 4 4 5.9414 0.3234 13 4 5 -4.8444 -0.5126 13 4 6 2.9154 0.3648 13 5 0 6.1584 -0.7721 13 5 1 -7.0906 0.2479 13 5 2 3.0223 0.0586 13 5 3 3.2326 -0.1997 13 5 4 -7.5042 0.2048 13 5 5 7.8994 -0.0117 13 6 0 -6.5676 1.1602 13 6 1 9.5921 -1.2339 13 6 2 -7.4350 0.9561 13 6 3 2.2416 -0.3040 13 6 4 1.9854 -0.2790 13 7 0 1.4840 -0.1300 13 7 1 -4.8682 0.9330 13 7 2 5.2339 -1.2820 13 7 3 -3.1864 0.9825 13 8 0 1.6517 -1.1478 13 8 1 -0.1917 0.3423 13 9 0 0.2367 1.0832 14 -8 2 5.4885 0.5022 14 -8 3 -7.9074 -0.0438 14 -8 4 14.9654 -0.3253 14 -8 5 -21.6517 0.3176 14 -8 6 20.8892 0.1350 14 -7 0 10.4607 -0.1112 14 -7 1 -6.4690 0.7185 14 -7 2 1.4940 -1.0383 14 -7 3 5.9305 0.8452 14 -7 4 -15.5474 -0.2566 14 -7 5 23.1981 -0.2439 14 -7 6 -23.9068 0.1748 14 -6 0 -8.2414 -1.1708 14 -6 1 8.7654 0.6605 14 -6 2 -4.7546 0.0637 14 -6 3 -1.0232 -0.5649 14 -6 4 7.0678 0.4633 14 -6 5 -12.0386 0.1179 14 -6 6 13.5425 -0.5949 14 -6 7 -10.3317 0.5205 14 -5 0 -4.2354 1.4094 14 -5 1 -0.8720 -1.5864 14 -5 2 2.0571 1.0526 14 -5 3 -2.2301 -0.1123 14 -5 4 1.6923 -0.5024 14 -5 5 -0.1902 0.3488 14 -5 6 -0.8291 0.3064 14 -5 7 0.2157 -0.8156 14 -4 0 8.8071 0.0719 14 -4 1 -6.8955 0.6322 14 -4 2 4.7091 -0.7469 14 -4 3 -2.1518 0.1986 14 -4 4 0.2009 0.5051 14 -4 5 1.0853 -0.7751 14 -4 6 -2.4932 0.4691 14 -4 7 3.6098 0.0714 14 -3 0 -6.2277 -1.5403 14 -3 1 8.1386 1.0253 14 -3 2 -6.0674 -0.3528 14 -3 3 2.8470 -0.0778 14 -3 4 -0.2888 0.1015 14 -3 5 -1.7204 0.1279 14 -3 6 3.6926 -0.3413 14 -3 7 -5.0020 0.3736 14 -2 0 1.7706 1.3143 14 -2 1 -0.1713 -1.3839 14 -2 2 -4.4110 0.7653 14 -2 3 8.0009 0.1129 14 -2 4 -8.2537 -0.7015 14 -2 5 5.8946 0.7343 14 -2 6 -3.6304 -0.3108 14 -2 7 3.1671 -0.2330 14 -1 0 -0.3327 0.3358 14 -1 1 -4.2139 0.0925 14 -1 2 9.3831 -0.2167 14 -1 3 -11.6059 0.0867 14 -1 4 8.3927 0.1437 14 -1 5 -1.8702 -0.2735 14 -1 6 -2.6062 0.1321 14 -1 7 2.2737 0.2470 14 0 0 6.1155 -1.6427 14 0 1 -2.5471 1.3315 14 0 2 -2.0098 -0.5754 14 0 3 4.0530 -0.1989 14 0 4 -1.2961 0.5929 14 0 5 -3.4533 -0.5841 14 0 6 5.1487 0.4358 14 1 0 -7.7094 1.0622 14 1 1 4.4782 -1.1319 14 1 2 -0.2563 0.7469 14 1 3 -1.9938 -0.2691 14 1 4 1.0768 -0.0951 14 1 5 0.8535 0.3262 14 1 6 -1.0093 -0.3896 14 2 0 1.3219 0.8546 14 2 1 0.7223 -0.5037 14 2 2 -2.8019 -0.1202 14 2 3 3.9116 0.7469 14 2 4 -3.5676 -0.9289 14 2 5 2.1693 0.5976 14 3 0 -0.3646 -1.6461 14 3 1 -0.0381 1.3431 14 3 2 1.2881 -0.4263 14 3 3 -3.1033 -0.5536 14 3 4 3.9403 1.0538 14 3 5 -2.6712 -0.9727 14 4 0 3.9600 0.2627 14 4 1 -2.9580 -0.4084 14 4 2 0.7520 0.4480 14 4 3 1.7785 -0.3062 14 4 4 -2.8935 -0.0520 14 5 0 -2.3357 1.2269 14 5 1 1.6029 -0.6100 14 5 2 -1.3241 -0.4414 14 5 3 1.2632 1.1119 14 6 0 -1.9629 -0.9477 14 6 1 0.8462 0.4643 14 6 2 1.6620 0.4146 14 7 0 3.1487 -0.1860 15 -6 0 -1.1272 1.0868 15 -6 1 -11.4197 -0.5776 15 -6 2 15.9259 0.1057 15 -6 3 -11.1004 -0.1316 15 -6 4 3.4149 0.5503 15 -5 0 3.6695 -1.4025 15 -5 1 11.3284 1.4493 15 -5 2 -22.1185 -1.0051 15 -5 3 21.3337 0.5341 15 -5 4 -12.8583 -0.3247 15 -4 0 -10.0155 -0.1435 15 -4 1 1.8461 -0.1326 15 -4 2 7.9597 0.1434 15 -4 3 -11.4222 0.0172 15 -4 4 8.6643 -0.2187 15 -3 0 5.2999 1.4074 15 -3 1 -5.6096 -1.2166 15 -3 2 1.9111 0.7536 15 -3 3 1.6122 -0.3021 15 -3 4 -2.9213 0.1048 15 -2 0 8.9955 -0.7805 15 -2 1 -3.0422 0.9253 15 -2 2 -0.5581 -0.7379 15 -2 3 1.7037 0.3473 15 -2 4 -1.3916 -0.0098 15 -1 0 -7.7806 -0.6472 15 -1 1 2.4895 0.1155 15 -1 2 2.3009 0.3927 15 -1 3 -4.9031 -0.5369 15 -1 4 4.4871 0.3344 15 0 0 -2.4439 1.2958 15 0 1 2.7867 -0.8744 15 0 2 -3.8398 0.3145 15 0 3 4.1391 0.0571 15 1 0 3.0474 -0.4622 15 1 1 -2.9356 0.7500 15 1 2 2.9257 -0.8872 15 1 3 -2.1333 0.6895 15 2 0 -2.0549 -1.0862 15 2 1 4.4487 0.2990 15 2 2 -4.4268 0.3225 15 2 3 2.8075 -0.3901 15 3 0 3.4538 1.4534 15 3 1 -4.9232 -1.1155 15 3 2 3.6295 0.7603 15 4 0 -0.8279 -0.4525 15 4 1 1.3958 0.9739 15 5 0 -1.9738 -0.2902 16 -1 0 -2.5320 1.3369 0 0 0 0.0 0.0 ; _ins_header ; TITL CO_AO_WCP_CuCl_scale in P-1 REM P-1 (#2 in standard setting) CELL 1.54184 13.358246 16.997692 17.925632 111.3499 100.6986 90.2939 ZERR 4.00 0.000810 0.001030 0.001067 0.0056 0.0050 0.0049 LATT 1 SFAC C H B N O F P Cu W UNIT 144.00 192.00 4.00 24.00 8.00 24.00 8.00 4.00 4.00 TREF HKLF 4 END ; _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.667 _oxdiff_exptl_absorpt_empirical_full_min 0.347 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group W1A W 0.61974(5) 0.18275(4) 0.29984(3) 0.03296(16) Uani 1 1 d . . . . . W1 W 0.50629(5) -0.32203(4) 0.17306(3) 0.03429(16) Uani 1 1 d . . . . . Cu1A Cu 0.61250(14) 0.01440(11) 0.22822(10) 0.0296(4) Uani 1 1 d . . . . . Cu1 Cu 0.50207(14) -0.16735(11) 0.16499(10) 0.0332(4) Uani 1 1 d . . . . . Cl1 Cl 0.4481(2) -0.04047(19) 0.16193(18) 0.0379(7) Uani 1 1 d . . . . . Cl1A Cl 0.6686(3) -0.1178(2) 0.1895(2) 0.0449(7) Uani 1 1 d . . . . . P1A P 0.8439(3) 0.0735(2) 0.31973(19) 0.0374(7) Uani 1 1 d . . . . . P2A P -0.0255(3) -0.2952(3) -0.1284(2) 0.0514(9) Uani 1 1 d . . . . . P2 P 0.1525(3) -0.0978(3) 0.3852(3) 0.0546(10) Uani 1 1 d . . . . . P1 P 0.2730(3) -0.2602(3) 0.0937(3) 0.0621(12) Uani 1 1 d . . . . . N3A N 0.4817(8) 0.1396(6) 0.3273(6) 0.031(2) Uani 1 1 d . . . . . N4A N 0.3882(8) 0.1502(7) 0.2892(6) 0.035(2) Uani 1 1 d . . . . . N5A N 0.5301(8) 0.1563(7) 0.1764(6) 0.0361(17) Uani 1 1 d . . . . . N6A N 0.4300(9) 0.1665(7) 0.1659(7) 0.041(3) Uani 1 1 d . . . . . O2 O 0.3918(9) -0.4706(7) 0.0127(6) 0.056(3) Uani 1 1 d . . . . . N1A N 0.5404(8) 0.3030(7) 0.3284(6) 0.0361(17) Uani 1 1 d . . . . . N3 N 0.6149(10) -0.2483(7) 0.2831(7) 0.044(3) Uani 1 1 d . . . . . O2A O 0.7954(10) 0.2852(8) 0.2701(8) 0.071(3) Uani 1 1 d . . . . . F6A F -0.1305(8) -0.3297(8) -0.1178(7) 0.076(3) Uani 1 1 d . . . . . N2A N 0.4372(10) 0.2936(7) 0.2947(7) 0.042(3) Uani 1 1 d . . . . . N5 N 0.6322(8) -0.3215(7) 0.1111(7) 0.041(3) Uani 1 1 d . . . . . O1 O 0.3624(10) -0.3456(8) 0.2867(8) 0.070(3) Uani 1 1 d . . . . . F4 F 0.2432(8) -0.0441(8) 0.4556(6) 0.086(4) Uani 1 1 d . . . . . N4 N 0.7162(10) -0.2654(8) 0.2930(7) 0.050(3) Uani 1 1 d . . . . . N6 N 0.7291(9) -0.3252(8) 0.1464(8) 0.050(3) Uani 1 1 d . . . . . N1 N 0.5797(10) -0.4294(7) 0.1987(7) 0.044(3) Uani 1 1 d . . . . . O1A O 0.7230(10) 0.2581(8) 0.4881(6) 0.069(3) Uani 1 1 d . . . . . C4 C 0.4398(12) -0.5344(9) 0.1820(11) 0.054(4) Uani 1 1 d . U . . . H4A H 0.405743 -0.497640 0.222544 0.081 Uiso 1 1 calc R U . . . H4B H 0.437297 -0.590203 0.183490 0.081 Uiso 1 1 calc R U . . . H4C H 0.406524 -0.536739 0.128828 0.081 Uiso 1 1 calc R U . . . C1A C 0.7174(9) 0.1032(8) 0.2942(7) 0.032(3) Uani 1 1 d . . . . . F2 F 0.0620(10) -0.1485(10) 0.3128(7) 0.110(5) Uani 1 1 d . . . . . F3A F -0.0800(10) -0.2431(10) -0.1752(11) 0.127(6) Uani 1 1 d . . . . . C3 C 0.4297(12) -0.4182(11) 0.0701(10) 0.050(4) Uani 1 1 d . . . . . C1 C 0.4022(12) -0.2585(8) 0.1419(9) 0.046(3) Uani 1 1 d . . . . . F1A F 0.0800(8) -0.2624(11) -0.1388(10) 0.111(5) Uani 1 1 d . . . . . C2 C 0.4114(14) -0.3374(10) 0.2442(9) 0.056(4) Uani 1 1 d . . . . . C5A C 0.5644(14) 0.3833(9) 0.3763(9) 0.053(4) Uani 1 1 d . . . . . N2 N 0.6856(10) -0.4232(8) 0.2162(9) 0.057(3) Uani 1 1 d . . . . . C11A C 0.3629(11) 0.0754(10) 0.3627(9) 0.047(3) Uani 1 1 d . . . . . H11A H 0.331537 0.044501 0.386653 0.056 Uiso 1 1 calc R U . . . F5A F 0.0323(10) -0.3548(11) -0.0894(12) 0.139(7) Uani 1 1 d . . . . . C21A C 0.8983(10) 0.0304(9) 0.2303(8) 0.040(3) Uani 1 1 d . . . . . C26A C 0.9104(11) -0.0548(10) 0.1974(9) 0.048(4) Uani 1 1 d . . . . . H26A H 0.892676 -0.090514 0.222570 0.058 Uiso 1 1 calc R U . . . C10A C 0.4678(12) 0.0941(8) 0.3728(8) 0.043(3) Uani 1 1 d . . . . . F4A F -0.0378(13) -0.3752(9) -0.2116(9) 0.121(5) Uani 1 1 d . . . . . C6A C 0.4746(14) 0.4286(9) 0.3763(10) 0.057(4) Uani 1 1 d . . . . . H6A H 0.468804 0.485415 0.406104 0.068 Uiso 1 1 calc R U . . . C2A C 0.6861(11) 0.2311(9) 0.4221(9) 0.046(3) Uani 1 1 d . . . . . C12A C 0.3158(12) 0.1122(10) 0.3103(10) 0.051(4) Uani 1 1 d . . . . . C7A C 0.4009(13) 0.3712(9) 0.3238(9) 0.049(4) Uani 1 1 d . . . . . C25A C 0.9494(11) -0.0876(11) 0.1260(9) 0.049(4) Uani 1 1 d . . . . . H25A H 0.957966 -0.145197 0.103395 0.059 Uiso 1 1 calc R U . . . C3A C 0.7312(11) 0.2483(9) 0.2812(10) 0.049(4) Uani 1 1 d . . . . . C19A C 0.8428(11) -0.0022(11) 0.3684(9) 0.053(4) Uani 1 1 d . . . . . H19A H 0.803706 -0.053348 0.330671 0.080 Uiso 1 1 calc R U . . . H19B H 0.812459 0.020910 0.415595 0.080 Uiso 1 1 calc R U . . . H19C H 0.911562 -0.014538 0.384803 0.080 Uiso 1 1 calc R U . . . C16A C 0.4667(14) 0.1092(10) 0.0441(8) 0.054(4) Uani 1 1 d . . . . . H16A H 0.461505 0.086270 -0.012328 0.064 Uiso 1 1 calc R U . . . C4A C 0.6703(13) 0.4198(10) 0.4231(11) 0.069(5) Uani 1 1 d . . . . . H4AA H 0.681403 0.413905 0.475205 0.103 Uiso 1 1 calc R U . . . H4AB H 0.677610 0.478775 0.431249 0.103 Uiso 1 1 calc R U . . . H4AC H 0.719638 0.390126 0.392724 0.103 Uiso 1 1 calc R U . . . C9A C 0.5561(13) 0.0706(10) 0.4246(9) 0.054(4) Uani 1 1 d . . . . . H9AA H 0.593484 0.030017 0.389765 0.081 Uiso 1 1 calc R U . . . H9AB H 0.530437 0.046568 0.458840 0.081 Uiso 1 1 calc R U . . . H9AC H 0.600464 0.120464 0.458099 0.081 Uiso 1 1 calc R U . . . C22A C 0.9223(12) 0.0858(11) 0.1927(9) 0.051(4) Uani 1 1 d . . . . . H22A H 0.911681 0.142997 0.214492 0.061 Uiso 1 1 calc R U . . . C10 C 0.6025(16) -0.1830(10) 0.3512(9) 0.063(3) Uani 1 1 d . U . . . C17 C 0.7925(12) -0.3216(10) 0.0979(12) 0.058(3) Uani 1 1 d . U . . . C17A C 0.3877(12) 0.1373(9) 0.0847(8) 0.046(4) Uani 1 1 d . . . . . F2A F -0.0074(14) -0.2251(12) -0.0444(9) 0.164(9) Uani 1 1 d . . . . . C15A C 0.5567(12) 0.1215(9) 0.1036(7) 0.041(3) Uani 1 1 d . . . . . C15 C 0.6363(13) -0.3126(9) 0.0408(9) 0.046(3) Uani 1 1 d . U . . . C23A C 0.9624(15) 0.0529(12) 0.1223(11) 0.068(5) Uani 1 1 d . . . . . H23A H 0.980563 0.088885 0.097599 0.081 Uiso 1 1 calc R U . . . C5 C 0.5449(12) -0.5021(9) 0.1985(9) 0.047(3) Uani 1 1 d . U . . . C21 C 0.1973(12) -0.3386(11) 0.1101(13) 0.066(4) Uani 1 1 d . U . . . C8A C 0.2871(11) 0.3852(10) 0.3005(10) 0.053(4) Uani 1 1 d . . . . . H8AA H 0.268686 0.371867 0.242650 0.080 Uiso 1 1 calc R U . . . H8AB H 0.275963 0.443308 0.329085 0.080 Uiso 1 1 calc R U . . . H8AC H 0.245766 0.349096 0.315379 0.080 Uiso 1 1 calc R U . . . C14A C 0.6605(14) 0.1006(11) 0.0883(9) 0.058(4) Uani 1 1 d . . . . . H14A H 0.707276 0.150097 0.116547 0.087 Uiso 1 1 calc R U . . . H14B H 0.659155 0.081545 0.030724 0.087 Uiso 1 1 calc R U . . . H14C H 0.682262 0.056583 0.107867 0.087 Uiso 1 1 calc R U . . . C20A C 0.9269(12) 0.1642(12) 0.3904(10) 0.063(5) Uani 1 1 d . . . . . H20A H 0.994185 0.146979 0.403162 0.094 Uiso 1 1 calc R U . . . H20B H 0.900698 0.188237 0.439656 0.094 Uiso 1 1 calc R U . . . H20C H 0.929972 0.205794 0.366094 0.094 Uiso 1 1 calc R U . . . B1A B 0.3781(12) 0.2071(10) 0.2387(9) 0.039(3) Uani 1 1 d D . . . . C6 C 0.6313(13) -0.5459(10) 0.2157(10) 0.055(3) Uani 1 1 d . U . . . H6 H 0.630035 -0.599350 0.218625 0.066 Uiso 1 1 calc R U . . . F5 F 0.2201(16) -0.1026(15) 0.3243(11) 0.221(14) Uani 1 1 d . . . . . C9 C 0.5004(17) -0.1489(11) 0.3619(11) 0.078(4) Uani 1 1 d . U . . . H9A H 0.474344 -0.129226 0.318684 0.117 Uiso 1 1 calc R U . . . H9B H 0.508013 -0.102667 0.413641 0.117 Uiso 1 1 calc R U . . . H9C H 0.453688 -0.192890 0.360130 0.117 Uiso 1 1 calc R U . . . C7 C 0.7163(14) -0.4948(11) 0.2269(12) 0.063(4) Uani 1 1 d . U . . . F3 F 0.0794(13) -0.0840(16) 0.4437(8) 0.189(11) Uani 1 1 d . . . . . C16 C 0.7382(14) -0.3111(11) 0.0316(11) 0.063(3) Uani 1 1 d . U . . . H16 H 0.762834 -0.304351 -0.011130 0.076 Uiso 1 1 calc R U . . . C13A C 0.2047(12) 0.1098(12) 0.2780(12) 0.064(5) Uani 1 1 d . . . . . H13A H 0.183790 0.166481 0.293518 0.096 Uiso 1 1 calc R U . . . H13B H 0.167500 0.078058 0.300182 0.096 Uiso 1 1 calc R U . . . H13C H 0.190997 0.083129 0.219483 0.096 Uiso 1 1 calc R U . . . C14 C 0.5425(14) -0.3015(11) -0.0138(9) 0.061(4) Uani 1 1 d . U . . . H14D H 0.494448 -0.349834 -0.030514 0.091 Uiso 1 1 calc R U . . . H14E H 0.560856 -0.296171 -0.061143 0.091 Uiso 1 1 calc R U . . . H14F H 0.512225 -0.251313 0.015339 0.091 Uiso 1 1 calc R U . . . C12 C 0.7640(18) -0.2089(14) 0.3688(13) 0.085(5) Uani 1 1 d . U . . . C26 C 0.1713(12) -0.3162(13) 0.1857(14) 0.074(4) Uani 1 1 d . U . . . H26 H 0.186382 -0.260299 0.221890 0.089 Uiso 1 1 calc R U . . . C24A C 0.9756(13) -0.0327(13) 0.0885(10) 0.063(5) Uani 1 1 d . . . . . H24A H 1.001751 -0.054027 0.041028 0.075 Uiso 1 1 calc R U . . . C22 C 0.1722(14) -0.4224(13) 0.0571(15) 0.080(4) Uani 1 1 d . U . . . H22 H 0.186960 -0.439923 0.005090 0.096 Uiso 1 1 calc R U . . . C18A C 0.2755(14) 0.1350(12) 0.0507(10) 0.068(5) Uani 1 1 d . . . . . H18A H 0.239623 0.089466 0.057054 0.102 Uiso 1 1 calc R U . . . H18B H 0.265457 0.126215 -0.006276 0.102 Uiso 1 1 calc R U . . . H18C H 0.249849 0.187740 0.079637 0.102 Uiso 1 1 calc R U . . . C8 C 0.8266(14) -0.5093(13) 0.2447(15) 0.085(6) Uani 1 1 d . U . . . H8A H 0.859177 -0.503186 0.203487 0.127 Uiso 1 1 calc R U . . . H8B H 0.833136 -0.565473 0.244905 0.127 Uiso 1 1 calc R U . . . H8C H 0.858655 -0.468628 0.297288 0.127 Uiso 1 1 calc R U . . . C11 C 0.693(2) -0.1592(13) 0.4025(11) 0.087(5) Uani 1 1 d . U . . . H11 H 0.705173 -0.115236 0.453400 0.105 Uiso 1 1 calc R U . . . F1 F 0.1831(18) -0.1762(12) 0.390(2) 0.263(18) Uani 1 1 d . . . . . F6 F 0.1221(18) -0.0143(14) 0.3784(17) 0.204(12) Uani 1 1 d . . . . . C25 C 0.1245(16) -0.3718(15) 0.2109(17) 0.090(5) Uani 1 1 d . U . . . H25 H 0.106706 -0.354026 0.261958 0.108 Uiso 1 1 calc R U . . . B1 B 0.7517(16) -0.3417(14) 0.2272(15) 0.064(6) Uani 1 1 d . . . . . C19 C 0.2217(16) -0.1616(13) 0.131(2) 0.120(12) Uani 1 1 d . . . . . H19D H 0.227340 -0.144000 0.189187 0.180 Uiso 1 1 calc R U . . . H19E H 0.151096 -0.166532 0.105196 0.180 Uiso 1 1 calc R U . . . H19F H 0.258800 -0.120304 0.119523 0.180 Uiso 1 1 calc R U . . . C23 C 0.1262(16) -0.4795(14) 0.0800(17) 0.090(5) Uani 1 1 d . U . . . H23 H 0.108904 -0.535157 0.043818 0.108 Uiso 1 1 calc R U . . . C24 C 0.1055(17) -0.4528(15) 0.1587(17) 0.091(5) Uani 1 1 d . U . . . H24 H 0.077721 -0.492351 0.175418 0.109 Uiso 1 1 calc R U . . . C18 C 0.9071(14) -0.3201(14) 0.1235(16) 0.091(6) Uani 1 1 d . U . . . H18D H 0.930019 -0.275369 0.175754 0.137 Uiso 1 1 calc R U . . . H18E H 0.939609 -0.310700 0.083702 0.137 Uiso 1 1 calc R U . . . H18F H 0.924490 -0.373429 0.127439 0.137 Uiso 1 1 calc R U . . . C13 C 0.8761(18) -0.2128(16) 0.3967(15) 0.115(7) Uani 1 1 d . U . . . H13D H 0.888131 -0.266957 0.400492 0.172 Uiso 1 1 calc R U . . . H13E H 0.899426 -0.168797 0.449300 0.172 Uiso 1 1 calc R U . . . H13F H 0.912448 -0.205150 0.358066 0.172 Uiso 1 1 calc R U . . . C20 C 0.2702(16) -0.289(2) -0.0127(16) 0.145(15) Uani 1 1 d . . . . . H20D H 0.291206 -0.344890 -0.034841 0.217 Uiso 1 1 calc R U . . . H20E H 0.315949 -0.249544 -0.020225 0.217 Uiso 1 1 calc R U . . . H20F H 0.202076 -0.286328 -0.040275 0.217 Uiso 1 1 calc R U . . . H1 H 0.835(11) -0.350(9) 0.247(9) 0.05(4) Uiso 1 1 d . . . . . H1A H 0.296(3) 0.211(7) 0.217(6) 0.01(3) Uiso 1 1 d D . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 W1A 0.0386(3) 0.0327(3) 0.0279(3) 0.0120(2) 0.0055(2) 0.0077(2) W1 0.0396(3) 0.0318(3) 0.0306(3) 0.0100(2) 0.0083(2) 0.0080(2) Cu1A 0.0353(10) 0.0315(9) 0.0227(8) 0.0107(7) 0.0060(7) 0.0069(7) Cu1 0.0371(10) 0.0342(9) 0.0294(9) 0.0115(7) 0.0101(7) 0.0087(8) Cl1 0.0381(16) 0.0339(15) 0.0367(15) 0.0111(12) -0.0002(12) 0.0056(12) Cl1A 0.0363(17) 0.0391(16) 0.0569(19) 0.0140(14) 0.0110(14) 0.0099(13) P1A 0.0279(16) 0.052(2) 0.0299(15) 0.0151(14) 0.0012(12) 0.0106(14) P2A 0.043(2) 0.069(3) 0.048(2) 0.0272(19) 0.0120(17) 0.0123(19) P2 0.043(2) 0.070(3) 0.048(2) 0.021(2) 0.0060(17) 0.0028(19) P1 0.033(2) 0.084(3) 0.086(3) 0.052(3) 0.009(2) 0.011(2) N3A 0.028(5) 0.039(6) 0.028(5) 0.008(4) 0.017(4) 0.001(4) N4A 0.021(5) 0.053(7) 0.032(5) 0.015(5) 0.010(4) 0.012(5) N5A 0.035(4) 0.038(4) 0.036(4) 0.015(3) 0.004(3) 0.011(3) N6A 0.058(8) 0.032(6) 0.034(6) 0.014(5) 0.007(5) 0.007(5) O2 0.063(7) 0.049(6) 0.037(5) 0.002(5) -0.009(5) 0.001(5) N1A 0.035(4) 0.038(4) 0.036(4) 0.015(3) 0.004(3) 0.011(3) N3 0.063(8) 0.038(6) 0.032(6) 0.017(5) -0.003(5) -0.008(5) O2A 0.067(8) 0.060(7) 0.094(10) 0.032(7) 0.028(7) -0.010(6) F6A 0.052(6) 0.104(9) 0.080(7) 0.042(6) 0.015(5) 0.004(6) N2A 0.067(8) 0.025(5) 0.037(6) 0.013(4) 0.016(6) 0.011(5) N5 0.032(6) 0.040(6) 0.048(6) 0.008(5) 0.017(5) 0.021(5) O1 0.091(10) 0.072(8) 0.070(8) 0.040(7) 0.047(7) 0.017(7) F4 0.064(7) 0.121(10) 0.056(6) 0.022(6) -0.005(5) -0.019(6) N4 0.049(7) 0.054(7) 0.041(6) 0.025(6) -0.019(5) -0.013(6) N6 0.032(6) 0.054(7) 0.074(9) 0.029(7) 0.022(6) 0.025(5) N1 0.053(7) 0.030(6) 0.056(7) 0.022(5) 0.014(6) 0.022(5) O1A 0.088(9) 0.072(8) 0.027(5) 0.007(5) -0.008(5) 0.015(7) C4 0.053(6) 0.029(7) 0.079(11) 0.019(7) 0.013(8) 0.004(6) C1A 0.020(6) 0.049(7) 0.030(6) 0.018(5) 0.004(5) 0.015(5) F2 0.080(9) 0.164(14) 0.056(7) 0.011(8) 0.005(6) -0.031(9) F3A 0.073(8) 0.152(13) 0.197(17) 0.138(13) -0.028(9) -0.019(8) C3 0.046(9) 0.066(10) 0.062(10) 0.045(9) 0.023(8) 0.012(8) C1 0.064(10) 0.030(7) 0.044(8) 0.006(6) 0.028(7) 0.005(6) F1A 0.041(6) 0.188(15) 0.152(13) 0.118(12) 0.020(7) 0.006(8) C2 0.078(12) 0.041(8) 0.043(8) 0.009(7) 0.014(8) 0.016(8) C5A 0.079(12) 0.036(7) 0.040(8) 0.016(6) -0.004(7) -0.009(7) N2 0.051(8) 0.044(7) 0.074(9) 0.027(7) -0.005(7) 0.007(6) C11A 0.042(8) 0.055(9) 0.060(9) 0.031(7) 0.028(7) 0.015(7) F5A 0.073(9) 0.147(14) 0.23(2) 0.140(15) -0.036(10) -0.020(9) C21A 0.026(7) 0.053(8) 0.041(7) 0.016(6) 0.012(5) 0.011(6) C26A 0.034(8) 0.066(10) 0.052(8) 0.023(7) 0.023(6) 0.014(7) C10A 0.064(10) 0.037(7) 0.031(6) 0.014(5) 0.017(6) 0.012(6) F4A 0.159(15) 0.093(10) 0.113(11) 0.015(8) 0.076(11) 0.020(9) C6A 0.084(12) 0.027(7) 0.056(9) 0.011(6) 0.013(8) 0.022(7) C2A 0.043(8) 0.049(8) 0.049(9) 0.024(7) 0.004(7) 0.013(6) C12A 0.046(9) 0.045(8) 0.066(10) 0.021(7) 0.021(7) 0.009(7) C7A 0.071(11) 0.035(7) 0.037(7) 0.008(6) 0.012(7) 0.011(7) C25A 0.033(7) 0.063(9) 0.053(9) 0.016(7) 0.020(6) 0.015(7) C3A 0.036(8) 0.035(7) 0.062(9) 0.008(7) -0.008(7) 0.005(6) C19A 0.036(8) 0.089(12) 0.038(7) 0.031(8) -0.004(6) 0.014(8) C16A 0.083(12) 0.055(9) 0.026(6) 0.019(6) 0.008(7) 0.020(8) C4A 0.060(11) 0.036(8) 0.075(12) -0.003(8) -0.019(9) 0.004(7) C9A 0.075(11) 0.055(9) 0.044(8) 0.026(7) 0.022(8) 0.021(8) C22A 0.048(9) 0.068(10) 0.046(8) 0.029(8) 0.016(7) 0.013(8) C10 0.112(9) 0.043(8) 0.032(6) 0.014(6) 0.011(6) -0.017(7) C17 0.045(6) 0.054(8) 0.088(9) 0.023(7) 0.048(6) 0.022(6) C17A 0.070(10) 0.045(8) 0.025(6) 0.023(6) -0.005(6) 0.012(7) F2A 0.155(15) 0.190(18) 0.070(9) -0.053(10) 0.048(9) -0.055(13) C15A 0.058(9) 0.046(8) 0.023(6) 0.018(5) 0.008(6) 0.014(6) C15 0.064(6) 0.033(6) 0.044(7) 0.009(5) 0.026(5) 0.007(6) C23A 0.088(14) 0.076(12) 0.056(10) 0.036(9) 0.034(10) 0.010(10) C5 0.055(5) 0.037(7) 0.044(7) 0.007(5) 0.019(6) 0.007(5) C21 0.031(7) 0.061(7) 0.097(10) 0.017(7) 0.020(7) 0.017(6) C8A 0.037(8) 0.056(9) 0.067(10) 0.021(8) 0.009(7) 0.030(7) C14A 0.082(12) 0.060(10) 0.041(8) 0.025(7) 0.022(8) 0.024(9) C20A 0.032(8) 0.085(13) 0.054(9) 0.012(9) -0.005(7) 0.001(8) B1A 0.036(8) 0.046(9) 0.035(7) 0.015(7) 0.009(6) 0.006(7) C6 0.063(6) 0.046(7) 0.056(8) 0.025(6) 0.003(7) 0.011(5) F5 0.192(19) 0.24(2) 0.128(14) -0.084(14) 0.109(14) -0.139(17) C9 0.136(11) 0.052(9) 0.057(9) 0.011(8) 0.062(9) -0.005(9) C7 0.059(6) 0.052(8) 0.078(10) 0.030(8) 0.003(8) 0.014(6) F3 0.112(12) 0.33(3) 0.050(7) -0.014(12) 0.021(8) -0.096(15) C16 0.075(7) 0.054(8) 0.067(8) 0.013(7) 0.044(6) 0.012(7) C13A 0.033(8) 0.077(12) 0.088(13) 0.033(10) 0.019(8) 0.012(8) C14 0.082(8) 0.060(10) 0.035(7) 0.011(7) 0.014(6) 0.000(8) C12 0.100(9) 0.086(12) 0.068(10) 0.051(9) -0.030(8) -0.041(8) C26 0.030(7) 0.080(8) 0.113(10) 0.026(7) 0.035(7) 0.008(7) C24A 0.049(10) 0.094(14) 0.053(9) 0.029(9) 0.027(8) 0.013(9) C22 0.053(9) 0.064(8) 0.112(10) 0.019(6) 0.015(8) 0.006(7) C18A 0.080(13) 0.069(11) 0.049(9) 0.020(8) 0.000(9) 0.022(10) C8 0.059(6) 0.077(12) 0.139(18) 0.067(13) 0.012(12) 0.025(8) C11 0.144(11) 0.073(10) 0.037(8) 0.030(7) -0.018(7) -0.036(8) F1 0.21(2) 0.111(14) 0.43(4) 0.15(2) -0.15(3) -0.018(14) F6 0.19(2) 0.149(18) 0.26(3) 0.114(19) -0.06(2) -0.003(16) C25 0.063(10) 0.087(9) 0.123(11) 0.036(8) 0.030(9) -0.004(9) B1 0.052(12) 0.060(12) 0.090(15) 0.048(12) -0.006(10) -0.001(9) C19 0.058(13) 0.064(13) 0.27(4) 0.097(19) 0.048(18) 0.017(10) C23 0.064(10) 0.066(8) 0.135(11) 0.029(8) 0.026(10) 0.010(8) C24 0.065(10) 0.078(8) 0.134(12) 0.043(8) 0.022(10) 0.011(8) C18 0.045(7) 0.093(14) 0.149(17) 0.044(13) 0.053(8) 0.032(10) C13 0.106(10) 0.127(17) 0.107(15) 0.083(13) -0.068(10) -0.058(10) C20 0.040(11) 0.32(5) 0.12(2) 0.15(3) -0.014(13) -0.004(18) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' W W -5.4734 5.5774 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u 0 0 -2 5818.21 55.47 0 0 -3 712.82 24.42 0 0 -4 667.86 27.53 0 0 -5 -0.42 7.41 0 0 -6 1482.48 50.5 0 0 -7 481.3 32.08 0 0 -8 1355.36 57.26 0 0 -9 432.73 35.56 0 0 -10 548.27 42.97 0 0 -11 35.2 13.76 0 0 -12 19.34 13.61 0 0 13 422.55 22.33 0 0 -14 108.61 12.77 0 0 14 113.27 13.3 0 0 -15 840.23 31.33 0 0 15 800.38 31.65 0 0 16 8.48 7.62 0 0 -16 11.69 7.63 0 0 -17 236.5 16.81 0 0 -18 13.79 6.82 0 0 -19 4.98 4.98 0 1 -20 -10.47 5.11 0 1 -19 81.28 9.24 0 1 -18 14.34 7.11 0 -1 17 125.86 13.12 0 1 -17 133.52 13.43 0 -1 16 28.4 9.83 0 1 -16 37.18 9.84 0 -1 15 29.9 9.08 0 1 -15 32.01 8.78 0 -1 14 10.56 8.24 0 -1 13 55.99 10.51 0 1 -12 596.5 49.95 0 1 -11 311.83 34.43 0 1 -10 654.89 46.03 0 1 -9 30.61 12.36 0 1 -8 119.33 18.17 0 1 -7 3.94 8.2 0 1 -6 985.54 40.62 0 1 -5 301.9 21.44 0 1 -4 2452.49 50.09 0 1 -3 29.16 6.76 0 1 -2 3908.55 41.78 0 -1 -1 268.63 10.01 0 -1 -2 313.45 15.94 0 -1 -3 2217.51 47.05 0 -1 -4 5696 84.65 0 -1 -5 1359.87 46.63 0 -1 -6 886.96 41.47 0 -1 -7 56.77 13.58 0 -1 -8 24.34 12.04 0 -1 -9 103.44 19.27 0 -1 -10 379.22 37.62 0 -1 -11 916.34 62.17 0 -1 -12 100.4 23.4 0 -1 -13 970.01 32.74 0 1 13 975.56 33.94 0 -1 -14 15.39 8.45 0 1 14 10.14 8.37 0 -1 -15 155.85 15.2 0 -1 -16 45.07 10.62 0 -1 -17 86.86 11.18 0 -1 -18 -3.35 6.36 0 -1 -19 73.16 7.86 0 2 -20 6.84 4.99 0 2 -19 5.96 5.8 0 2 -18 84.6 10.8 0 -2 17 83.74 11.13 0 2 -17 87.19 11.29 0 -2 16 388.52 22.14 0 2 -16 389.94 22.05 0 -2 15 87.11 11.98 0 -2 14 255.99 17.99 0 -2 13 41.22 9.8 0 2 -13 37.4 16.18 0 2 -12 2.41 10.43 0 2 -11 15 12.22 0 2 -10 360.03 34.64 0 2 -9 16.66 10.72 0 2 -8 885.81 45.65 0 2 -7 411.2 28.87 0 2 -6 1810.92 53 0 2 -5 2796.86 58.02 0 2 -4 1236.84 33.92 0 2 -3 376.75 17.12 0 2 -2 750.69 20.84 0 2 -1 490.88 15.8 0 -2 0 1994.61 24.34 0 2 0 1920.18 30.92 0 -2 -1 2118.53 31.49 0 2 1 2242.84 31.45 0 2 2 130.12 9.37 0 -2 -3 270.21 19.15 0 -2 -4 98.92 14.67 0 -2 -5 517.64 32.1 0 -2 -6 172.47 20.52 0 -2 -7 2018.23 71.91 0 -2 -8 4.26 9.49 0 -2 -9 1964.17 82.79 0 -2 -10 24.37 14.85 0 -2 -11 131.39 26.7 0 2 12 17.9 8.95 0 -2 -12 14.57 8.13 0 -2 -13 7.25 7.42 0 2 13 12.37 8.27 0 -2 -14 38.49 9.62 0 -2 -15 178.38 15.6 0 -2 -16 140.78 13.95 0 -2 -17 84.02 10.63 0 -2 -18 13.4 6.03 0 2 19 9.46 4.63 0 3 -20 220.71 12.97 0 3 -19 -1.74 5.88 0 -3 18 101.71 11.21 0 3 -18 109.45 11.91 0 -3 17 7.05 6.83 0 3 -17 21.38 8.58 0 -3 16 18.47 7.46 0 -3 15 14.69 8.71 0 -3 14 62.55 10.45 0 3 -13 8.61 11.38 0 3 -13 9.39 7.21 0 3 -12 440.91 43.06 0 3 -11 21.47 14.18 0 3 -10 413.06 36.66 0 3 -9 37.66 12.99 0 3 -8 120.1 18.23 0 3 -7 478.16 30.39 0 3 -6 33.6 9.6 0 3 -5 130.47 14.22 0 3 -4 205.51 15.16 0 3 -3 2763.93 48.11 0 3 -2 73.92 9.5 0 3 -1 418.32 14.44 0 -3 0 182.52 9.47 0 3 0 176.54 12.77 0 3 1 384.11 17.25 0 -3 -1 339.54 14.63 0 3 2 229.41 13.8 0 3 3 2310.74 43.15 0 -3 -3 2451.38 62.77 0 -3 -4 159.31 19.4 0 3 4 155.01 13.58 0 -3 -5 614.19 38.07 0 3 5 603.06 27.29 0 -3 -6 51.42 14.11 0 -3 -7 6.2 9.68 0 -3 -8 405.9 38.57 0 -3 -9 42.79 15.85 0 -3 -10 263.26 36.17 0 -3 -11 91.84 10.97 0 -3 -12 146.37 13.37 0 -3 -13 94.71 12.19 0 -3 -14 87.94 11.87 0 -3 -15 2.57 7.24 0 -3 -16 -4.96 7.51 0 -3 -17 9.6 6.43 0 -3 -18 122.83 9.52 0 3 18 110.43 9.96 0 4 -21 19.26 5.13 0 4 -20 -0.3 4.93 0 -4 19 23.04 7.12 0 4 -19 19.62 7.02 0 -4 18 66.09 9.68 0 4 -18 76.36 10.57 0 -4 17 -6.57 7.74 0 -4 16 203.01 16.53 0 -4 15 110.48 13.18 0 -4 14 83.03 11.87 0 4 -14 65.18 10.63 0 4 -14 59.57 9.72 0 4 -13 21.84 14.64 0 4 -12 13.12 10.81 0 4 -11 225.48 29.65 0 4 -10 243.05 28.79 0 4 -9 1748.2 68.01 0 4 -8 16.02 9.3 0 4 -7 1088.43 44.52 0 4 -6 16.9 8.37 0 4 -5 132.15 14.41 0 4 -4 1179.89 37.32 0 4 -3 61.38 10.45 0 4 -2 43.91 8.18 0 4 -1 686.25 20.94 0 4 0 661.59 25.19 0 -4 0 630.15 18.18 0 4 1 1774.56 39.74 0 -4 -1 1653.97 33.95 0 4 2 264.9 16.48 0 4 3 246.08 15.82 0 -4 -3 245.51 23.65 0 -4 -4 105.4 17.83 0 4 4 87.48 10.85 0 -4 -5 26.31 12.29 0 -4 -6 678.81 47.23 0 -4 -7 342.42 35.94 0 -4 -8 1477.02 77.73 0 -4 -9 123.65 26.11 0 -4 -10 473.51 50.93 0 -4 -11 -5.89 6.93 0 -4 -12 0.28 7.57 0 -4 -13 18.06 8.16 0 -4 -14 347.25 21.13 0 -4 -15 13.45 7.57 0 -4 -16 249.12 16.13 0 4 17 7.97 6.74 0 -4 -17 3.34 5.19 0 4 18 25.5 5.39 0 5 -21 76 7.64 0 5 -20 132.95 10.96 0 5 -19 123.05 11.62 0 -5 19 109.37 10.79 0 -5 18 25.12 7.78 0 -5 17 63.11 10.88 0 -5 16 141.84 14.85 0 5 -15 283.57 19.63 0 -5 15 322.5 21.01 0 5 -15 265.62 18.44 0 5 -14 142.97 14.17 0 5 -13 1119.02 71.29 0 5 -12 54.91 17.81 0 5 -11 1148.21 64.3 0 5 -10 18.74 11.36 0 5 -9 214.76 24.5 0 5 -8 35.27 11.05 0 5 -7 9.32 8.17 0 5 -6 6.94 7.56 0 5 -6 10.51 8.94 0 5 -5 253.04 19.77 0 5 -5 266.74 20.73 0 5 -4 1412.96 43.99 0 5 -3 747.58 29.09 0 5 -2 18.96 7.02 0 -5 1 156.61 10.67 0 5 -1 178.93 11.72 0 -5 0 635.02 19.64 0 -5 -1 1540.25 35.02 0 5 1 1584.45 40.9 0 5 2 534.08 24.14 0 5 3 629.94 26.25 0 -5 -4 1823.49 70.88 0 -5 -5 10.09 11.99 0 -5 -6 867.04 57.18 0 -5 -7 20.87 13.64 0 -5 -8 0.28 10.94 0 -5 -9 19.46 15.42 0 -5 -10 53.71 9.66 0 -5 -11 -4.45 7.66 0 -5 -12 186.91 15.91 0 -5 -13 0.75 7.49 0 -5 -14 140.24 14 0 -5 -15 1.04 6.79 0 5 15 21.78 10.06 0 -5 -16 2.73 5.41 0 5 16 1.41 6.88 0 5 17 21.95 6.14 0 6 -21 72.49 8 0 -6 20 7.71 5.64 0 6 -20 10.02 5.99 0 6 -19 37.3 8.54 0 -6 19 34.73 8.06 0 -6 18 100.48 11.7 0 -6 17 704.73 28.76 0 6 -16 159.68 14.46 0 -6 16 204.34 17.13 0 6 -15 917.6 32.28 0 6 -14 34.32 9.6 0 6 -13 251.98 17.01 0 6 -12 9.06 10.98 0 6 -11 149.17 24.22 0 6 -10 10.72 10.61 0 6 -9 1161.66 54.56 0 6 -8 180.3 21.19 0 6 -7 692.33 36.86 0 6 -7 708.47 37.89 0 6 -6 869.13 39.12 0 6 -6 850.49 39.79 0 6 -5 8.85 8.32 0 6 -5 4.35 7.44 0 6 -4 11.17 8.77 0 6 -4 15.05 8.53 0 6 -3 1464.17 51.29 0 6 -3 1432.71 40.41 0 6 -2 720.11 37.66 0 6 -2 787.75 27.85 0 6 -1 1007.01 44.55 0 -6 1 916.22 24.59 0 -6 0 2641.13 42.05 0 6 0 2819.3 75.13 0 -6 -1 23.79 6.7 0 6 2 1045.44 34.99 0 -6 -3 42.85 14.51 0 -6 -4 4.82 9.82 0 -6 -5 9.35 11.1 0 -6 -6 273.57 35.03 0 -6 -7 9.59 11.7 0 -6 -8 212.58 35 0 -6 -9 7.36 7.6 0 -6 -10 6.7 7.27 0 -6 -11 -8.04 7.94 0 -6 -12 54.22 10.43 0 -6 -13 47.04 9.74 0 -6 -14 129.25 12.47 0 6 14 140.72 15.34 0 -6 -15 140.69 11.57 0 6 15 150.88 13.98 0 6 16 13.31 6.42 0 7 -21 57.86 7.28 0 -7 20 55.52 7.99 0 7 -20 57.48 8.62 0 -7 19 222.3 14.92 0 -7 18 78.75 11.13 0 -7 17 206.98 16.83 0 7 -16 7.53 8.7 0 7 -15 9.51 8.34 0 7 -14 25.8 9.03 0 7 -13 608.51 25.34 0 7 -11 1064.18 60.81 0 7 -10 406.37 35.83 0 7 -9 294.69 28.45 0 7 -8 109.43 17.78 0 7 -8 104.68 18.5 0 7 -7 599.36 36.5 0 7 -7 589.35 36.64 0 7 -6 162.56 19.91 0 7 -6 157.12 19.44 0 7 -6 164.24 19.8 0 7 -5 851.72 42.47 0 7 -5 847.51 38.84 0 7 -4 1277.5 52.72 0 7 -4 1299.83 44.04 0 7 -3 853.67 44.31 0 7 -3 946.35 34.56 0 7 -2 1077.34 50.89 0 -7 2 1066.47 30.82 0 7 -1 1.64 10.02 0 7 0 49.89 13.82 0 7 1 251 27.28 0 -7 -3 133.32 22.83 0 -7 -4 799.15 54.89 0 -7 -5 174.12 28.76 0 -7 -6 172.6 31.54 0 -7 -7 76.73 21.86 0 -7 -9 56.49 10.85 0 -7 -10 290.71 19.56 0 -7 -11 340.06 20.76 0 7 11 339.49 24.04 0 -7 -12 142.5 13.75 0 7 12 158.41 16.98 0 -7 -13 278.69 17.21 0 7 13 325.43 21.15 0 7 14 10.27 7.95 0 7 15 3.09 5.83 0 7 16 18.6 5.34 0 8 -21 53.21 6.97 0 8 -20 27.62 7.56 0 -8 20 17.18 6.15 0 -8 19 31.86 7.95 0 -8 18 79.61 11.07 0 8 -17 141.7 13.69 0 8 -16 134.48 13.55 0 8 -15 148.16 14.51 0 8 -14 130.93 13.48 0 8 -13 82.59 27.61 0 8 -13 60.12 10.07 0 8 -13 65.13 9.77 0 8 -12 23.32 18.72 0 8 -10 4.87 8.43 0 8 -9 378.32 33.65 0 8 -9 362.84 32.7 0 8 -8 982.53 51.3 0 8 -8 924.28 49.01 0 8 -8 1053.81 56.81 0 8 -7 924.03 49.22 0 8 -7 924.03 48.65 0 8 -7 982.27 50.86 0 8 -6 1378.72 54.91 0 8 -6 1313.67 57.68 0 8 -5 72.28 16.89 0 8 -5 57.06 13.25 0 8 -4 102.11 14.38 0 8 -4 91.04 18.45 0 8 -3 17.21 12.02 0 8 -2 104.46 19.37 0 8 -1 74.64 16.68 0 8 0 1047.05 53.4 0 8 1 319.11 31.1 0 8 2 263.12 30.64 0 8 3 138.02 25.13 0 -8 -3 139.75 24.12 0 -8 -4 145.8 26.22 0 -8 -5 21.95 15.27 0 -8 -6 474.03 50.47 0 8 7 331.37 22.45 0 8 8 225.6 20.07 0 8 9 215.61 19.67 0 8 10 20.31 10.63 0 8 11 83.78 13.61 0 8 12 7.32 9.11 0 8 13 27.92 8.71 0 8 14 6.35 6.08 0 8 15 120.98 9.47 0 9 -21 17.2 5.57 0 9 -20 99.19 10.15 0 -9 20 96.39 9.58 0 -9 19 89.63 10.66 0 -9 18 53.03 9.84 0 9 -18 40.72 8.91 0 9 -17 40.28 9.19 0 9 -16 7.46 7.93 0 9 -15 23.75 9.21 0 9 -14 232.72 16.5 0 9 -14 228.44 17.23 0 9 -13 4.66 6.52 0 9 -12 129.81 11.93 0 9 -12 140.41 32.71 0 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12.77 0 11 0 4.25 10.96 0 -11 -1 844.83 59.54 0 11 1 864.08 61.93 0 11 2 304.84 18.62 0 11 2 305.31 39.41 0 -11 -2 290.87 37.43 0 11 3 976.23 33.78 0 11 4 76.14 12.58 0 11 5 333.42 22.59 0 11 6 29.81 10.94 0 11 7 10.58 8.83 0 11 8 -12.56 10 0 11 9 -7.05 8.98 0 11 10 52.67 9.44 0 11 11 42.55 7.94 0 11 12 56.26 7.45 0 -12 20 6.21 5.66 0 12 -19 5.55 6.36 0 -12 19 2.85 6.22 0 12 -18 161.5 14.29 0 12 -17 73.68 11.54 0 12 -16 287.9 19.02 0 12 -16 328.34 21.68 0 12 -15 229.9 18.03 0 12 -15 237.5 18.99 0 12 -14 122.04 14.18 0 12 -13 25.74 9.92 0 12 -13 28.87 8.72 0 12 -12 6.31 8.23 0 12 -11 121.44 13.92 0 12 -10 0.51 8.07 0 12 -9 412.19 21.8 0 12 -9 420.99 46.65 0 12 -8 -2.8 13.18 0 12 -7 274.45 38.12 0 12 -6 4.81 12.57 0 12 -5 -0.53 12.41 0 12 -4 12.15 12.64 0 12 -3 511.86 47.5 0 12 -2 43.08 17.01 0 12 -1 331.87 39.02 0 12 0 461.79 22.2 0 12 0 474.09 47.52 0 12 1 269.51 18.08 0 12 2 253.6 18.32 0 12 3 16.11 8.83 0 12 4 13.02 8.16 0 12 5 -1.99 8.79 0 12 6 130.08 15.12 0 12 7 17.05 8.78 0 12 8 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129.48 11.9 0 14 -16 2.75 8.22 0 14 -16 3.5 6.81 0 14 -15 396.63 23 0 14 -14 51.78 11.55 0 14 -14 38.98 9.84 0 14 -13 41.38 10.95 0 14 -12 -5.82 9.37 0 14 -11 133.08 15.13 0 14 -10 22.25 9.53 0 14 -9 441.43 23.44 0 14 -8 55.74 10.86 0 14 -7 345.29 20.11 0 14 -7 368.85 21.47 0 14 -6 181.79 15.82 0 14 -6 156.07 14.47 0 14 -6 179.14 17.19 0 14 -5 39.16 9.98 0 14 -5 32.7 8.54 0 14 -4 -6.82 8.16 0 14 -4 -7.64 8.55 0 14 -3 29.23 8.7 0 14 -3 30.95 9.73 0 14 -2 324.16 19.8 0 14 -1 -4.47 8.66 0 14 0 650.38 27.81 0 14 1 132.96 14.63 0 14 2 106.07 13.77 0 14 3 102.89 13.43 0 14 4 30.36 9.59 0 14 5 -0.71 7.46 0 14 6 331.04 19.44 0 14 7 75.78 10.15 0 14 8 163.19 11.82 0 14 9 74.62 7.6 0 15 -19 62.96 7.44 0 -15 19 53.87 7.91 0 15 -18 -2.18 6.32 0 15 -17 2.88 6.03 0 15 -17 15.69 7.23 0 15 -16 -0.23 6.31 0 15 -16 0.79 7.98 0 15 -15 7.84 7.35 0 15 -14 9.96 7.68 0 15 -14 3.42 8.93 0 15 -13 111.25 13.66 0 15 -12 141.01 14.93 0 15 -11 182.51 16.32 0 15 -10 32.18 9.78 0 15 -9 78.55 11.63 0 15 -8 0.85 8.07 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1 13 -16 20.99 9.31 1 13 -15 70.31 12.27 1 13 -15 67.34 11.02 1 13 -14 65.75 11.44 1 13 -13 436.13 23.94 1 13 -13 402.71 21.75 1 13 -12 33.32 10.35 1 13 -12 33 9.79 1 13 -11 219.89 16.91 1 13 -11 234.33 18.05 1 13 -10 -2.28 8.51 1 13 -10 4.94 8.26 1 13 -9 11.37 8.36 1 13 -9 8.8 8.67 1 13 -8 15.67 8.37 1 13 -8 13.82 8.22 1 13 -7 570.09 25.1 1 13 -7 564.6 25.48 1 13 -6 18.42 8.83 1 13 -6 8.21 8.23 1 13 -5 653.61 56.95 1 13 -5 596.78 25.35 1 13 -4 67.27 9.56 1 13 -4 96.03 11.71 1 13 -3 44.01 9.33 1 13 -2 -2.78 7.47 1 13 -1 20.84 8.31 1 13 0 174.72 14.95 1 13 1 213.71 16.67 1 13 2 312.68 20.06 1 13 3 228.38 18.53 1 13 4 256.23 19.56 1 13 5 1.74 7.91 1 13 6 8.92 7.83 1 13 7 33.46 8.53 1 13 8 83.01 9.81 1 13 9 8.81 5.54 1 13 10 191.32 10.44 -1 -14 20 4.58 4.78 1 14 -19 56.91 8.31 1 14 -18 62.08 9.71 1 14 -17 133.48 13.86 1 14 -16 29.74 9.5 1 14 -15 110.54 13.3 1 14 -14 6.76 7.21 1 14 -14 21.25 9.81 1 14 -13 -10.92 9.61 1 14 -12 7.86 8.27 1 14 -12 6.38 8.38 1 14 -11 162.92 15.47 1 14 -11 164.27 15.8 1 14 -10 9.17 8.68 1 14 -10 11.39 8.89 1 14 -9 536.45 25.22 1 14 -9 498.84 24.27 1 14 -8 6.81 8.64 1 14 -8 7.29 7.89 1 14 -7 265.41 17.95 1 14 -7 247.58 17.72 1 14 -6 19.86 8.42 1 14 -6 33.75 9.36 1 14 -5 25.56 8.61 1 14 -5 22.74 8.43 1 14 -5 15.7 8.74 1 14 -4 74.64 11 1 14 -4 78.77 11.62 1 14 -3 311.09 19.74 1 14 -3 299.89 18.41 1 14 -2 319.81 19.56 1 14 -1 104.83 12.59 1 14 0 481.8 24.21 1 14 1 1.8 7.74 1 14 2 142.49 14.93 1 14 3 61.65 11.63 1 14 4 104.06 12.99 1 14 5 27.86 9.03 1 14 6 390.13 19.86 1 14 7 8.14 6.26 1 14 8 129.63 9.89 1 15 -19 34.47 6.24 1 15 -18 -2.3 6.39 1 15 -17 -13.88 7.95 1 15 -16 -11.42 8.41 1 15 -15 66.91 10.81 1 15 -14 -14.23 10.04 1 15 -14 -3.56 7.87 1 15 -13 162.86 15.17 1 15 -12 -2.78 8.58 1 15 -12 4.49 8.48 1 15 -11 110.34 12.45 1 15 -11 117.84 13.72 1 15 -10 -1.87 8.32 1 15 -10 -0.83 8.32 1 15 -9 21.88 8.17 1 15 -9 11.96 7.63 1 15 -8 -6.25 8.38 1 15 -8 5.03 7.64 1 15 -7 107.93 12.25 1 15 -7 137.74 13.52 1 15 -6 94.32 12.16 1 15 -6 66.21 10.41 1 15 -5 331.9 20.87 1 15 -5 336.47 19.69 1 15 -5 322.35 19.15 1 15 -4 391.17 22.08 1 15 -4 354.22 19.91 1 15 -3 -4.96 8.06 1 15 -3 -0.18 7.98 1 15 -2 78.06 11.07 1 15 -2 91.99 12.16 1 15 -1 -1.1 8.38 1 15 0 -12.41 9.37 1 15 1 48.97 10.18 1 15 2 165.43 15.61 1 15 3 5.55 7.89 1 15 4 235.29 17.08 1 15 5 -4.11 6.63 1 15 6 15.41 6.11 -1 -16 19 13.87 5.11 1 16 -18 5.91 4.95 1 16 -17 61.55 8.59 1 16 -16 15 7.34 1 16 -15 22.61 8.14 1 16 -15 8.73 6.4 1 16 -14 1.66 6.29 1 16 -13 7.71 7.98 1 16 -12 147.53 14.27 1 16 -11 53.43 9.99 1 16 -11 48.54 10.19 1 16 -10 212.01 15.47 1 16 -10 231.69 17.06 1 16 -9 45.96 9.86 1 16 -9 45.74 9.96 1 16 -8 85.42 11.28 1 16 -8 86.99 11.3 1 16 -7 39.14 9.33 1 16 -7 42.05 9.56 1 16 -6 11.16 8.04 1 16 -6 1.78 6.97 1 16 -5 28.96 7.92 1 16 -5 35.08 8.7 1 16 -4 8.04 7.22 1 16 -4 -4.94 7.17 1 16 -4 -1.78 7.51 1 16 -3 20.71 8.71 1 16 -3 15.64 7.73 1 16 -2 44.77 9.58 1 16 -2 51.17 10.22 1 16 -1 11.92 8.02 1 16 -1 15.54 8.04 1 16 0 136.43 13.37 1 16 0 134.78 13.91 1 16 1 28.71 8.73 1 16 1 9.32 7.65 1 16 2 -17.25 9.34 1 16 2 5.97 6.98 1 16 3 10.96 7.26 1 16 3 7.99 7.07 1 16 4 4.98 5.93 1 16 4 -2.71 6.4 1 16 5 45.03 6.98 1 16 5 58.56 7.15 1 16 6 10.57 4.49 1 17 -17 1.57 4.71 1 17 -16 84.1 9.44 1 17 -15 43.31 8.56 1 17 -15 32.41 7.32 1 17 -14 219.05 15.74 1 17 -13 -0.55 7.36 1 17 -12 173.59 13.8 1 17 -11 -3.52 6.69 1 17 -10 15.12 7.54 1 17 -10 6.57 6.32 1 17 -9 -0.34 6.67 1 17 -9 -1.69 7.23 1 17 -8 26.79 7.83 1 17 -8 17.39 6.82 1 17 -7 24.56 8.12 1 17 -7 33.18 9.22 1 17 -6 187.6 14.1 1 17 -6 194.97 14.34 1 17 -5 9.99 7.91 1 17 -5 7.69 8.25 1 17 -4 58.78 9.19 1 17 -4 55.81 9.19 1 17 -3 6.54 6.5 1 17 -3 2.3 7.42 1 17 -3 -3.12 7.35 1 17 -2 -3.23 7.34 1 17 -2 -4.56 7.09 1 17 -2 4.82 6.64 1 17 -1 53.86 8.48 1 17 -1 64.43 9.99 1 17 -1 55.27 9.91 1 17 0 24.18 7.92 1 17 0 23.41 8.26 1 17 1 138.92 12.74 1 17 1 135.68 11.42 1 17 2 55.51 8.44 1 17 2 53.45 8.75 1 17 3 141.12 10.26 1 17 3 130.22 10.26 1 17 4 5.7 4.57 1 18 -16 105.17 8.43 1 18 -15 12.52 5.58 1 18 -15 3.6 4.48 1 18 -14 8.63 5.49 1 18 -13 -1.01 6.22 1 18 -13 0.8 5.21 1 18 -12 86.06 9.85 1 18 -11 57.17 8.65 1 18 -10 243.32 14.53 1 18 -9 132.89 11.49 1 18 -9 147.65 12.22 1 18 -8 61.8 9.03 1 18 -8 46.24 8.28 1 18 -7 11.88 6.19 1 18 -7 17.9 6.78 1 18 -6 9.01 6.44 1 18 -6 8.83 6.1 1 18 -5 19.07 7.65 1 18 -5 21.44 7.26 1 18 -4 205.22 13.63 1 18 -4 198.43 14.21 1 18 -3 376.71 18.22 1 18 -3 370.2 16.85 1 18 -2 157.91 11.65 1 18 -2 172.7 13.62 1 18 -1 298.61 15.72 1 18 0 14.23 6.8 1 18 1 42.43 6.91 1 18 2 2.14 4.57 1 19 -14 117.18 8.97 1 19 -14 129.07 9.08 1 19 -13 82.7 8.29 1 19 -12 86.92 8.44 1 19 -11 61.56 7.7 1 19 -10 -9.94 5.82 1 19 -9 -13.66 6.12 1 19 -8 44.66 7.81 1 19 -8 30.7 6.64 1 19 -7 135.67 10.59 1 19 -7 134.57 10.24 1 19 -6 172.1 12.57 1 19 -6 147.45 11.5 1 19 -5 238.32 12.74 1 19 -5 255.33 13.62 1 19 -4 40.27 7.68 1 19 -3 69.08 7.98 1 19 -2 -18.06 6.3 1 19 -1 -9.75 5.54 1 20 -12 12.42 4.3 1 20 -10 34.26 6.13 -2 20 -3 -0.72 4.15 -2 20 -4 16.07 5.08 -2 20 -5 13.08 5.38 -2 20 -6 173.59 10.69 -2 20 -7 101.11 9.08 -2 20 -8 129.07 9.31 -2 20 -9 56.95 6.88 -2 20 -9 40.1 6.66 -2 20 -10 -1.62 4.42 -2 20 -10 -2.06 4.55 -2 20 -11 -4.3 4.13 -2 20 -12 3.33 3.51 -2 19 0 28.24 5.81 -2 19 -1 3.15 5.06 -2 19 -2 115.57 9.87 -2 19 -3 60.79 8.48 -2 19 -4 121.36 10.65 -2 19 -5 90.41 9.87 -2 19 -6 9.91 6.09 -2 19 -7 -3.45 5.87 -2 19 -8 -8.14 5.97 -2 19 -9 59.16 7.9 -2 19 -10 10.67 5.95 -2 19 -11 88.64 9.56 -2 19 -11 108.77 9.6 -2 19 -12 2.31 4.87 -2 19 -12 0.8 4.54 -2 19 -13 39.72 6.43 -2 19 -14 4.97 4.21 -2 19 -14 -0.48 3.72 -2 18 3 13.67 5.39 -2 18 2 162.62 12.18 -2 18 2 178.14 10.85 -2 18 1 59.15 9.65 -2 18 1 66.52 8.61 -2 18 0 127.32 11.1 -2 18 0 139.92 13.18 -2 18 -1 78.31 9.95 -2 18 -1 63.5 11.02 -2 18 -2 14.37 7.16 -2 18 -3 5.49 6.56 -2 18 -4 -4.63 6.71 -2 18 -5 26.62 7.51 -2 18 -6 1.03 6.79 -2 18 -7 205.52 14.13 -2 18 -8 5.1 7.01 -2 18 -9 48.67 8.31 -2 18 -10 -2.7 6.54 -2 18 -11 15.24 6.64 -2 18 -11 17.45 6.87 -2 18 -12 5.38 5.84 -2 18 -12 3.28 5.64 -2 18 -13 105.77 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16 -4 -0.5 7.8 -2 16 -4 -22.46 9.64 -2 16 -5 183.67 15.01 -2 16 -6 12.6 8.54 -2 16 -7 455.88 22.96 -2 16 -8 27.9 9.68 -2 16 -9 142.36 14.41 -2 16 -10 12.06 8.67 -2 16 -11 85.26 12.34 -2 16 -12 2.16 8.16 -2 16 -12 0.6 7.87 -2 16 -13 -15.1 9.42 -2 16 -13 -8.15 8.19 -2 16 -14 31.71 8.76 -2 16 -15 22.31 7.61 -2 16 -15 23.56 7.44 -2 16 -16 68.44 9.37 -2 16 -16 76.59 10.01 -2 16 -17 -3.3 5.78 -2 16 -17 -1.72 5.05 -2 16 -18 -10.94 5.37 -2 15 8 -10.97 5.29 -2 15 7 136.61 11.55 -2 15 6 32 8.26 -2 15 5 319.56 19.05 -2 15 4 67.04 11.5 -2 15 3 41.04 10.36 -2 15 2 1.22 7.96 -2 15 1 32.52 9.92 -2 15 0 90.65 12.72 -2 15 -1 185.42 16.56 -2 15 -2 146.52 15.61 -2 15 -3 125.65 14.28 -2 15 -4 26.51 9.73 -2 15 -5 93.08 12.18 -2 15 -5 86.45 12.86 -2 15 -6 3.82 7.54 -2 15 -7 1.13 7.8 -2 15 -8 140.14 14.72 -2 15 -9 5.2 8.21 -2 15 -10 317.09 20.93 -2 15 -11 -0.75 8.94 -2 15 -12 71.78 11.74 -2 15 -12 58.35 11.5 -2 15 -13 2.87 8.83 -2 15 -13 5.93 7.8 -2 15 -14 -5.78 8.49 -2 15 -14 -8.85 9.06 -2 15 -15 0.98 8.18 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8 2 152.23 26.82 -2 -8 -4 750.42 60.42 -2 -8 -5 71.21 21.65 -2 -8 -6 884.89 32.61 2 8 6 846.13 34.06 2 8 7 7.87 9.56 -2 -8 -7 8.13 8.68 -2 -8 -8 375.76 22.88 2 8 8 356.14 24.23 2 8 9 62.71 13.64 -2 -8 -9 58.73 11.08 2 8 10 16.23 9.52 -2 -8 -10 2.12 7.5 2 8 11 -0.59 8.17 -2 -8 -11 -11.07 7.89 2 8 12 81.3 11.27 -2 -8 -12 77.72 9.78 -2 -8 -13 91.56 9.44 2 8 13 80.39 9.96 2 8 14 62.43 7.78 -2 -8 -14 64.96 7.16 -2 -9 21 103.38 9.55 -2 -9 20 13.59 6.46 2 9 -19 15.83 8.96 -2 -9 19 30.54 8.46 2 9 -18 16.77 8.6 -2 -9 18 16.39 8.01 2 9 -17 -7.73 8.24 2 9 -17 -11.45 8.32 2 9 -16 16.48 8.1 2 9 -16 30.94 9.24 2 9 -15 131.79 12.85 2 9 -15 156.31 14.65 2 9 -14 17.15 8.36 2 9 -14 6.73 7.64 2 9 -13 369.7 44.99 2 9 -13 334.53 18.33 2 9 -12 54.1 18.4 2 9 -11 65.83 19.91 2 9 -10 16.34 12.21 2 9 -9 70.81 19 2 9 -9 74.94 17.2 2 9 -8 854.59 50.47 2 9 -7 406.07 35.76 2 9 -6 42.18 14.59 2 9 -5 514.54 41.17 2 9 -4 597.76 44.09 2 9 -3 124.03 21.91 2 9 -2 469.84 38.93 2 9 -1 82.54 18.68 2 9 0 9.22 10.64 2 9 1 167.55 27.25 2 9 2 600.43 50.8 2 9 3 40.84 19 -2 -9 -3 19.45 14.03 -2 -9 -4 515.07 52.22 2 9 4 565.65 57.41 2 9 5 59.29 11.83 -2 -9 -5 59.5 10.8 2 9 6 72.17 12.8 -2 -9 -6 81.32 11.98 -2 -9 -7 11.98 7.94 2 9 7 20.2 10.46 -2 -9 -8 64.74 10.82 2 9 8 67.55 12.66 -2 -9 -9 17.07 7.27 2 9 9 21.83 9.77 -2 -9 -10 87.67 10.95 2 9 10 105.54 12.97 2 9 11 77.49 10.96 -2 -9 -11 82.55 10.21 2 9 12 21.79 7.36 -2 -9 -12 24.77 6.57 2 9 13 25.62 6.27 -2 -10 21 22.09 6.2 -2 -10 20 27.61 7.47 2 10 -19 127.34 11.78 -2 -10 19 126.59 13.41 2 10 -18 109.07 12.15 2 10 -18 112.57 12.17 2 10 -17 57.17 10.31 2 10 -17 59.7 10.64 2 10 -16 97.66 11.87 2 10 -16 115.73 13.2 2 10 -15 0.88 8.15 2 10 -15 8.05 8.07 2 10 -14 96.06 12.65 2 10 -14 100.17 11.99 2 10 -13 132.76 13.63 2 10 -12 841.98 28.63 2 10 -12 825.44 27.98 2 10 -12 865.46 67.01 2 10 -11 142.94 27.87 2 10 -10 900.21 57.31 2 10 -9 18.27 13.47 2 10 -8 337.24 35.28 2 10 -7 -10.44 12.71 2 10 -6 -0.74 12.4 2 10 -5 61.34 17.79 2 10 -4 734.31 52.37 2 10 -3 4.72 10.74 2 10 -2 71.99 19.27 2 10 -1 11.11 12.38 2 10 0 34.87 15.31 2 10 1 2.1 11.73 2 10 2 25.54 15.4 2 10 3 42.94 18.54 -2 -10 -3 44.02 19.16 -2 -10 -4 55.28 10.27 2 10 4 34.28 9.5 -2 -10 -5 270.86 19.05 2 10 5 238.6 19.69 2 10 6 17.83 9.39 -2 -10 -6 35.86 9.37 -2 -10 -7 119.19 13.36 2 10 7 93.33 13.74 2 10 8 -6.57 8.82 -2 -10 -8 4.21 6.48 -2 -10 -9 15.24 7.15 2 10 9 8.62 7.73 2 10 10 -10.19 7.79 -2 -10 -10 0.96 5.53 2 10 11 3.66 6.18 2 10 12 -9.94 5.73 -2 -11 21 66.5 8.28 -2 -11 20 50.08 8.71 -2 -11 19 3.33 6.96 2 11 -18 0.91 6.62 2 11 -18 5.02 7.78 2 11 -17 15.02 8.38 2 11 -17 7.61 7.68 2 11 -16 140.24 13.95 2 11 -16 143.31 14.62 2 11 -15 86.54 13 2 11 -15 90.58 12.27 2 11 -14 536.67 24.59 2 11 -13 181.78 15.74 2 11 -13 169.08 15.06 2 11 -12 446.93 22.29 2 11 -12 430.69 21.7 2 11 -11 18.13 9.34 2 11 -11 13.46 9.22 2 11 -10 30.76 15.89 2 11 -9 28.73 14.71 2 11 -8 348.59 39.15 2 11 -7 76.67 20.88 2 11 -6 237.23 33.49 2 11 -5 38.51 15.8 2 11 -4 88.7 21.44 2 11 -3 16.77 13.3 2 11 -2 30.38 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6.67 -8 15 -4 124.51 13.54 -8 15 -5 10.93 7.32 -8 15 -6 148.13 13.94 -8 15 -7 0.13 6.39 -8 15 -8 95.86 11.61 -8 15 -9 -4.72 6.19 -8 15 -9 -8.79 6.51 -8 15 -10 18.55 6.85 -8 15 -10 -1.22 5.89 -8 15 -11 1 5.41 -8 15 -12 3.99 4.85 -8 15 -13 11.08 4.58 -8 14 7 -1.8 4.7 -8 14 6 104.19 10.4 -8 14 5 -5.08 6.73 -8 14 4 9.07 6.66 -8 14 3 -5.15 7.48 -8 14 3 3.12 7.03 -8 14 2 22.49 8.63 -8 14 1 5.18 7.34 -8 14 0 151.55 16 -8 14 -1 2.65 7.76 -8 14 -2 119.87 14.39 -8 14 -3 1.61 7.58 -8 14 -4 35.02 9.49 -8 14 -5 -3.24 8.08 -8 14 -6 6.77 7.86 -8 14 -7 187.15 16.56 -8 14 -8 -0.87 6.04 -8 14 -8 -4.5 7.49 -8 14 -9 115.65 13.31 -8 14 -9 95.39 10.71 -8 14 -10 -5.43 7.04 -8 14 -10 -16.5 7.7 -8 14 -11 1.47 6.05 -8 14 -12 -6.45 6.02 -8 14 -13 -5.76 5.17 -8 14 -14 -0.05 4.13 -8 13 9 -1.1 3.92 -8 13 8 62.59 7.99 -8 13 7 8.61 6.14 -8 13 6 21.62 7.53 -8 13 5 3.15 6.72 -8 13 4 240.22 18.81 -8 13 3 18.83 9.27 -8 13 2 252 20.23 -8 13 2 234.43 18.37 -8 13 1 119.09 15.16 -8 13 0 30.15 9.87 -8 13 -1 -15.38 10.43 -8 13 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94.68 15.25 -11 5 9 102.26 16.98 -11 5 8 42.93 14.96 -11 5 7 278.8 26.34 -11 5 6 266.9 25.56 -11 5 5 520.04 15.78 -11 5 5 259.58 22.95 -11 5 4 234.81 12.46 -11 5 4 178.28 17.54 -11 5 3 64.94 8.1 -11 5 3 -10.31 14.17 -11 5 2 0.04 5.83 -11 5 2 11.13 11.27 -11 5 1 -4.15 7.21 -11 5 1 7.28 9.24 -11 5 0 83.85 11.37 -11 5 0 72.74 12.79 -11 5 -1 22.73 8.56 -11 5 -1 0.09 9.59 -11 5 -2 208.7 15.92 -11 5 -2 200.55 18.14 -11 5 -3 7.5 7.96 -11 5 -3 -1.81 8.99 -11 5 -4 178.84 15.7 -11 5 -4 146.94 15.96 -11 5 -5 5.23 7.55 -11 5 -6 3.04 8.15 -11 5 -7 3.26 7.45 -11 5 -8 292.59 19.53 -11 5 -9 37.09 9.06 -11 5 -10 305.2 17.55 -11 5 -10 341.72 16.29 -11 5 -11 98.9 9.64 -11 5 -11 100.66 9.29 -11 5 -12 94.11 9.04 -11 4 13 -15.5 8.5 -11 4 12 -11.78 8.69 -11 4 11 105.41 14.69 -11 4 10 154.96 19.02 -11 4 9 61.22 14.81 -11 4 8 149.14 21.16 -11 4 7 101.9 18.54 -11 4 6 -18.75 14.04 -11 4 5 221.55 11.62 -11 4 5 -11.24 14.43 -11 4 4 35.88 6.88 -11 4 4 -8.62 12.18 -11 4 3 4.22 5.57 -11 4 3 21.46 11.27 -11 4 2 136.42 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9 21.95 7.49 -14 5 8 135.86 13.54 -14 5 7 84.39 12.1 -14 5 6 123.27 15.29 -14 5 5 109.84 15.26 -14 5 4 26.1 10.85 -14 5 3 433.96 12.23 -14 5 3 -4.14 9.4 -14 5 2 168.66 8.63 -14 5 1 152.59 9.09 -14 5 1 78.93 10.5 -14 5 0 30.76 5.58 -14 5 -1 164.47 10.55 -14 5 -1 193.52 14.88 -14 5 -2 15.9 5.24 -14 5 -2 -14.78 9.14 -14 5 -3 10.92 5.14 -14 5 -3 12.55 6.42 -14 5 -4 2.27 4.67 -14 5 -5 44.24 6.61 -14 5 -6 6.36 4.34 -14 5 -7 58.4 6.02 -14 4 11 12.29 5.57 -14 4 10 35.85 7.92 -14 4 9 60.92 10.2 -14 4 8 0.92 7.91 -14 4 7 64.25 13.02 -14 4 6 69.69 13.9 -14 4 5 198.03 18.51 -14 4 4 -29.21 11.73 -14 4 3 208.15 9.44 -14 4 3 73.79 10.99 -14 4 2 71.8 6.81 -14 4 1 24.6 5.62 -14 4 0 6.08 4.76 -14 4 0 17.33 7.49 -14 4 -1 5.09 4.93 -14 4 -1 29.27 9.31 -14 4 -2 -14.19 6.36 -14 4 -2 18.98 8.17 -14 4 -3 29.93 6.42 -14 4 -3 94.96 11.4 -14 4 -4 5.64 5.58 -14 4 -4 58.24 9.58 -14 4 -5 52.62 7.7 -14 4 -6 3.01 4.83 -14 4 -7 1.4 4.25 -14 3 11 44.96 8.04 -14 3 10 30.83 8.54 -14 3 9 96.04 12 -14 3 8 61.33 12.48 -14 3 7 190.87 18.24 -14 3 6 -5.81 10.27 -14 3 5 -9.8 11.85 -14 3 4 213.46 9.53 -14 3 4 -24.52 12.39 -14 3 3 62.92 6.61 -14 3 2 23.71 5.53 -14 3 2 26.81 8.56 -14 3 1 -10.04 5.5 -14 3 1 18.18 8.6 -14 3 0 -10.83 6.1 -14 3 0 12.36 8.06 -14 3 -1 -3.13 6 -14 3 -1 30.26 8.9 -14 3 -2 -3.31 5.24 -14 3 -2 3.92 7.1 -14 3 -3 36.92 7.41 -14 3 -3 30.15 8.53 -14 3 -4 33.97 7.46 -14 3 -4 14.38 7.3 -14 3 -5 40.46 7.23 -14 3 -5 16 6.94 -14 3 -6 79.4 8.54 -14 3 -7 -10.31 4.44 -14 2 12 7.8 5.51 -14 2 11 67.22 9.73 -14 2 10 67.44 11.12 -14 2 9 31.11 10.09 -14 2 8 116.75 15.6 -14 2 7 45.79 12.05 -14 2 6 65.99 11.83 -14 2 5 -27.32 12.36 -14 2 4 30.04 10.22 -14 2 3 3.81 4.45 -14 2 3 28.54 9.64 -14 2 2 -2.73 4.78 -14 2 2 25.12 9.7 -14 2 1 -4.62 5.66 -14 2 1 20.35 9.1 -14 2 0 92.01 10.54 -14 2 0 153.04 15.26 -14 2 -1 30.53 7.44 -14 2 -1 13.09 7.97 -14 2 -2 141.57 11.88 -14 2 -2 157.89 14.53 -14 2 -3 28.65 7.05 -14 2 -3 8.02 7.05 -14 2 -4 117.1 11 -14 2 -4 117.93 12.08 -14 2 -5 27.02 6.66 -14 2 -5 8.38 6.31 -14 2 -6 67.81 7.91 -14 2 -6 44.73 7.88 -14 2 -7 25.28 5.28 -14 1 12 8.5 6.24 -14 1 11 56.89 9.99 -14 1 10 87.12 12.26 -14 1 9 124.95 15.59 -14 1 8 282.75 20.97 -14 1 7 -6.05 10.11 -14 1 6 30.19 9.51 -14 1 5 -13.24 12.26 -14 1 4 86.66 13.32 -14 1 3 13.84 5.3 -14 1 3 48.69 11.16 -14 1 2 223.17 14.04 -14 1 2 383.85 23.63 -14 1 1 27.75 7.36 -14 1 1 46.91 11.24 -14 1 0 207.77 14.35 -14 1 0 233.12 18.48 -14 1 -1 57.85 9.07 -14 1 -1 23.2 8.98 -14 1 -2 77.83 9.61 -14 1 -2 38.53 9.51 -14 1 -3 33.65 7.84 -14 1 -3 3.53 6.69 -14 1 -4 37.99 7.47 -14 1 -4 17.96 7.66 -14 1 -5 28.44 6.82 -14 1 -5 8.23 6.08 -14 1 -6 42.99 6.81 -14 1 -6 28.59 6.74 -14 1 -7 37.26 5.73 -14 0 11 77.99 11.35 -14 0 10 157.01 15.31 -14 0 9 102.92 15.22 -14 0 8 19.76 10.61 -14 0 7 -21.06 11.68 -14 0 6 101.68 12.95 -14 0 5 34.79 10.6 -14 0 4 463.8 26.16 -14 0 3 47.7 12.3 -14 0 2 93.25 10.04 -14 0 2 119.36 15.71 -14 0 1 51.82 8.95 -14 0 1 0.47 8.13 -14 0 0 61.91 9.12 -14 0 0 19.29 9.27 -14 0 -1 50.57 8.72 -14 0 -1 28.44 9.08 -14 0 -2 69.97 9.2 -14 0 -2 58.02 10.53 -14 0 -3 96.51 10.12 -14 0 -3 76.31 10.89 -14 0 -4 55.14 8.02 -14 0 -4 41.68 8.54 -14 0 -5 60.3 7.94 -14 0 -5 44.44 7.93 -14 0 -6 11.99 4.88 -14 0 -6 -3.19 5.42 -14 -1 13 3.21 4.36 -14 -1 12 0.14 4.88 -14 -1 11 2.73 4.9 -14 -1 11 47.23 9.69 -14 -1 10 35.62 7.06 -14 -1 10 96.12 13.79 -14 -1 9 48.53 12.56 -14 -1 8 124.36 15.02 -14 -1 7 -32.89 12.41 -14 -1 6 132.84 14.88 -14 -1 5 45.53 12.13 -14 -1 4 68.55 13.17 -14 -1 3 77.13 13.31 -14 -1 2 65.19 9.07 -14 -1 2 32.23 10.73 -14 -1 1 231.83 15.16 -14 -1 1 226.83 18.95 -14 -1 0 46.38 8.51 -14 -1 0 31.08 9.82 -14 -1 -1 59.07 9.14 -14 -1 -1 56.88 10.98 -14 -1 -2 13.54 6.37 -14 -1 -2 5.15 7.22 -14 -1 -3 4.99 5.51 -14 -1 -3 -11.11 7.55 -14 -1 -4 5.33 5.29 -14 -1 -4 -7.64 6.63 -14 -1 -5 18.93 5.54 -14 -1 -5 1.7 5.64 -14 -1 -6 7.42 4.27 -14 -1 -6 -4.97 5.18 -14 -2 13 7.87 4.71 -14 -2 12 43.96 7.16 -14 -2 11 34.53 6.83 -14 -2 10 21.96 6.21 -14 -2 10 94.02 13.57 -14 -2 9 8.61 6 -14 -2 9 3.02 9.59 -14 -2 8 24.69 7.27 -14 -2 8 -26.47 12.56 -14 -2 7 -2.02 11.19 -14 -2 6 65.34 12.28 -14 -2 5 227.69 19.33 -14 -2 4 31.13 11.01 -14 -2 3 253.57 20.55 -14 -2 2 8.34 8.52 -14 -2 1 37.93 8.07 -14 -2 1 26.83 9.98 -14 -2 0 14.54 6.66 -14 -2 0 0.95 8.25 -14 -2 -1 44.23 8.35 -14 -2 -1 35.27 9.69 -14 -2 -2 17 6.38 -14 -2 -2 7.46 6.82 -14 -2 -3 46.17 7.62 -14 -2 -3 40.31 8.66 -14 -2 -4 -1.77 4.71 -14 -2 -4 -10.18 6.83 -14 -2 -5 26.75 5.62 -14 -2 -5 21.24 5.96 -14 -3 14 -0.88 4.46 -14 -3 13 2.42 4.7 -14 -3 12 10.25 5.7 -14 -3 11 51.79 8.13 -14 -3 10 8.55 6.32 -14 -3 9 148.28 12.66 -14 -3 9 154 15.92 -14 -3 8 19.74 7.4 -14 -3 8 -20.82 11.16 -14 -3 7 177.45 13.8 -14 -3 7 100.5 13.17 -14 -3 6 16.65 7.16 -14 -3 6 40.07 11.35 -14 -3 5 61.45 12.38 -14 -3 4 18.28 9.82 -14 -3 3 24.6 10.15 -14 -3 2 -4.18 8.88 -14 -3 1 104.93 14.04 -14 -3 0 55.43 8.83 -14 -3 0 39.02 10.25 -14 -3 -1 32.38 7.5 -14 -3 -1 31.94 9.18 -14 -3 -2 0.56 5.08 -14 -3 -2 -6.12 7.61 -14 -3 -3 0.75 4.69 -14 -3 -3 -10.27 7.24 -14 -3 -4 8.16 4.73 -14 -3 -4 0.15 5.42 -14 -3 -5 12.74 4.38 -14 -3 -5 -2.72 4.85 -14 -4 14 22.38 5.7 -14 -4 13 74.99 8.63 -14 -4 12 9.02 5.85 -14 -4 11 61.62 9.11 -14 -4 10 10.14 6.5 -14 -4 9 16.16 6.9 -14 -4 8 3.35 5.97 -14 -4 7 16.97 7.12 -14 -4 7 -28.33 10.98 -14 -4 6 8.5 6.11 -14 -4 6 30.67 10.06 -14 -4 5 55.01 8.96 -14 -4 5 76.08 12.62 -14 -4 4 18.64 6.69 -14 -4 4 31.3 10.08 -14 -4 3 66.64 12.35 -14 -4 2 10.1 8.3 -14 -4 1 -3.92 8.28 -14 -4 0 14.42 6.41 -14 -4 0 0.05 7.76 -14 -4 -1 4.3 5.42 -14 -4 -1 -6.36 7.53 -14 -4 -2 36.29 7 -14 -4 -2 51.75 9.12 -14 -4 -3 3.17 4.33 -14 -4 -3 -7.02 6.16 -14 -4 -4 46.5 6.02 -14 -4 -4 54.87 7.54 -14 -5 14 7.76 4.98 -14 -5 13 9.98 5.68 -14 -5 12 10.93 6.12 -14 -5 11 108.38 11.24 -14 -5 10 57.98 9.28 -14 -5 9 39.86 8.22 -14 -5 8 49.75 9.02 -14 -5 7 -0.93 6.68 -14 -5 6 11.17 6.92 -14 -5 6 24.65 9.02 -14 -5 5 -7.04 6.98 -14 -5 5 15.07 8.34 -14 -5 4 -0.68 6.29 -14 -5 4 3.42 7.82 -14 -5 3 6.99 6.36 -14 -5 3 5.04 7.93 -14 -5 2 91.51 13.02 -14 -5 1 4.4 7.68 -14 -5 0 98.05 12.37 -14 -5 -1 5.94 5.09 -14 -5 -1 -2.63 6.66 -14 -5 -2 4.18 4.5 -14 -5 -2 0.14 5.9 -14 -5 -3 -5.98 5.33 -14 -6 14 12.69 5.13 -14 -6 13 79.06 8.94 -14 -6 12 62.88 8.75 -14 -6 11 51.82 8.76 -14 -6 10 48.6 8.76 -14 -6 9 3.56 6.14 -14 -6 8 -5.81 6.68 -14 -6 7 71.69 10.6 -14 -6 6 68.73 10.33 -14 -6 5 35.77 8.48 -14 -6 5 45.62 9.76 -14 -6 4 111.95 12.07 -14 -6 4 105.57 13.08 -14 -6 3 8.03 6.53 -14 -6 3 8.03 7.67 -14 -6 2 30.09 7.25 -14 -6 2 25.4 8.71 -14 -6 1 -8.65 7.52 -14 -6 0 0.21 6.4 -14 -6 -1 16.78 6.68 -14 -6 -2 25.33 6.37 -14 -7 13 1.84 5.09 -14 -7 12 0.87 5.31 -14 -7 11 16.23 6.49 -14 -7 10 43.73 8.43 -14 -7 9 23.39 7.71 -14 -7 8 103.33 11.89 -14 -7 7 3.37 6.63 -14 -7 6 20.72 7.21 -14 -7 5 0.14 6.7 -14 -7 4 13.1 6.66 -14 -7 3 11.16 6.41 -14 -7 3 10.25 6.89 -14 -7 2 60.56 8.39 -14 -7 2 79.88 10.4 -14 -7 1 26.84 6.4 -14 -7 1 24.13 7.2 -14 -7 0 30.34 7.21 -14 -8 13 -9.72 5.33 -14 -8 12 39.57 7.14 -14 -8 11 -8.57 6.25 -14 -8 10 -9.1 6.77 -14 -8 9 -7.67 6.49 -14 -8 8 9.42 6.44 -14 -8 7 9.85 6.67 -14 -8 6 31.05 8.05 -14 -8 5 32.85 7.95 -14 -8 4 62.07 9.34 -14 -8 3 39.62 7.8 -14 -8 2 22.25 6.07 -14 -9 12 3.61 4.83 -14 -9 11 3.41 4.98 -14 -9 10 52.2 8.19 -14 -9 9 34.3 7.52 -14 -9 8 64.94 9.43 -14 -9 7 63.97 9.36 -14 -9 6 4.37 5.64 -14 -9 5 7.4 5.77 -14 -9 4 4.3 5.21 -14 -9 3 14.87 5.34 -14 -10 10 4.73 4.91 -14 -10 9 4.98 4.93 -14 -10 8 -6.93 5.34 -14 -10 7 21.61 6.11 -14 -10 6 0.56 4.92 -14 -10 5 45.56 7 -15 7 4 76.91 8.76 -15 7 3 56.25 8.42 -15 7 2 169.65 12.03 -15 7 1 41.97 8.26 -15 6 6 98.29 9.81 -15 6 5 55.59 8.93 -15 6 4 125.09 11.57 -15 6 3 43.02 9.24 -15 6 2 89.98 11.35 -15 6 1 47.68 9.7 -15 6 0 50.26 9.52 -15 6 -1 267.64 8.37 -15 6 -1 85.8 10.15 -15 6 -2 196.28 7.59 -15 6 -3 189.23 7.19 -15 6 -4 139.93 6.02 -15 5 8 70.13 8.31 -15 5 7 62.6 8.81 -15 5 6 53.86 8.91 -15 5 5 37.15 9.01 -15 5 4 63.52 11.11 -15 5 3 130.83 13.55 -15 5 2 42.82 9.4 -15 5 1 357.41 10 -15 5 1 99.1 11.01 -15 5 0 180.1 7.59 -15 5 0 -2.29 7.58 -15 5 -1 150.95 7.32 -15 5 -1 80.23 9.37 -15 5 -2 74.54 5.77 -15 5 -3 50.73 4.86 -15 5 -4 43.2 4.33 -15 4 9 13.44 5.57 -15 4 8 39.19 7.79 -15 4 7 41.17 8.59 -15 4 6 49.49 10.13 -15 4 5 191.01 15.61 -15 4 4 43.25 10.33 -15 4 3 68.49 10.44 -15 4 2 280.87 8.99 -15 4 2 -19.26 9.15 -15 4 1 140.14 6.91 -15 4 1 -18.94 9.21 -15 4 0 67.09 5.76 -15 4 -1 68.6 6.12 -15 4 -1 -1.67 8.13 -15 4 -2 30.21 4.53 -15 4 -3 99.29 7 -15 4 -3 92.56 8.65 -15 4 -4 25.78 4.28 -15 3 9 104.6 10.33 -15 3 8 34.61 8.23 -15 3 7 95.53 11.92 -15 3 6 70.06 11.98 -15 3 5 30.38 9.88 -15 3 4 -22.5 9.58 -15 3 3 350.76 10 -15 3 2 145.74 7.53 -15 3 1 63.81 5.75 -15 3 0 42.05 5.23 -15 3 -1 45.86 5.58 -15 3 -1 36.34 6.74 -15 3 -2 17.5 4.51 -15 3 -2 19.46 6.16 -15 3 -3 27.84 4.66 -15 3 -3 19.31 5.97 -15 3 -4 27.32 4.67 -15 2 10 26.27 6.71 -15 2 9 64.39 9.36 -15 2 8 61.88 10.57 -15 2 7 132.51 14.48 -15 2 6 127.57 14.25 -15 2 5 -5.65 8.98 -15 2 2 53.73 5.46 -15 2 1 19.91 4.55 -15 2 1 -0.76 7.21 -15 2 0 9.7 4.48 -15 2 0 40.69 8.86 -15 2 -1 -0.08 4.14 -15 2 -1 26.52 7.64 -15 2 -2 21.2 4.85 -15 2 -2 74.29 9.46 -15 2 -3 -0.31 4.08 -15 2 -3 39.24 7.58 -15 2 -4 54.54 6.05 -15 1 10 109.75 10.67 -15 1 9 59.32 10.03 -15 1 8 213.9 16.61 -15 1 7 64.17 12 -15 1 6 10.25 8.39 -15 1 5 -16.27 10.04 -15 1 3 -19.88 9.55 -15 1 2 64.14 6.41 -15 1 2 128.67 13.17 -15 1 1 7.19 4.25 -15 1 1 31.45 8.44 -15 1 0 32.85 5.96 -15 1 0 94.93 10.95 -15 1 -1 -9.18 4.86 -15 1 -1 11.64 6.85 -15 1 -2 -5.55 4.67 -15 1 -2 29.84 7.45 -15 1 -3 14.79 6.02 -15 1 -4 3.31 3.66 -15 0 10 114.68 11.39 -15 0 9 67.91 10.67 -15 0 8 90.06 12.98 -15 0 7 93.93 12.81 -15 0 6 77.91 11.56 -15 0 4 51.59 9.94 -15 0 3 34.78 9.32 -15 0 2 38.9 9.33 -15 0 1 -5.39 4.67 -15 0 1 23 8.1 -15 0 0 5.61 4.58 -15 0 0 51.07 9.33 -15 0 -1 -3.72 4.38 -15 0 -1 23.86 7.56 -15 0 -2 61.17 7.11 -15 0 -2 115.14 10.93 -15 0 -3 19.08 4.84 -15 0 -3 30.47 6.85 -15 -1 10 80.25 9.91 -15 -1 9 85.28 12.08 -15 -1 8 134.93 14.23 -15 -1 7 1.06 8.95 -15 -1 4 55.69 9.92 -15 -1 3 44.92 9.8 -15 -1 2 79.88 11.28 -15 -1 1 48.16 9.44 -15 -1 0 2.48 4.87 -15 -1 0 52.56 9.39 -15 -1 -1 4.62 4.71 -15 -1 -1 14.41 6.65 -15 -1 -2 20.9 5.07 -15 -1 -2 11.2 5.99 -15 -1 -3 5.14 3.88 -15 -1 -3 1.8 4.68 -15 -2 9 87.93 11.86 -15 -2 8 44.86 10.63 -15 -2 7 13.29 8.34 -15 -2 6 50.57 9.35 -15 -2 5 39.92 9.46 -15 -2 4 104.26 12.83 -15 -2 3 49.13 10.13 -15 -2 2 15.36 7.8 -15 -2 1 9.56 7.12 -15 -2 0 -8.03 4.55 -15 -2 0 9.21 6.77 -15 -2 -1 36.57 6.1 -15 -2 -1 45.55 8.27 -15 -2 -2 17.01 4.66 -15 -2 -2 4.2 5.26 -15 -2 -3 37.05 6.28 -15 -3 10 51.06 6.96 -15 -3 8 49.38 10.03 -15 -3 7 2.58 8.88 -15 -3 5 2.54 8.22 -15 -3 4 21.21 8.47 -15 -3 3 83.76 11.56 -15 -3 2 -1.63 6.56 -15 -3 1 91.91 11.47 -15 -3 0 1.31 5.74 -15 -3 -1 5.25 5.42 -15 -3 -2 -1.66 4.68 -15 -4 10 12.53 5.18 -15 -4 9 19.31 5.88 -15 -4 8 8.52 5.3 -15 -4 7 -8.68 8.42 -15 -4 5 65.28 9.41 -15 -4 4 10.75 7.34 -15 -4 3 38.41 8.89 -15 -4 2 14.61 7.38 -15 -4 1 5.51 6.17 -15 -4 0 9.31 5.95 -15 -4 -1 29.62 6.49 -15 -5 10 11.13 5.32 -15 -5 9 62.46 7.8 -15 -5 8 5.24 5.16 -15 -5 7 32.76 6.42 -15 -5 6 1.39 4.86 -15 -5 5 -1.02 7 -15 -5 4 13.04 6.82 -15 -5 3 52.39 8.88 -15 -5 2 42.56 8.07 -15 -5 1 15.19 6.28 -15 -5 0 5.52 5.03 -15 -6 10 7.87 4.94 -15 -6 9 20.67 5.9 -15 -6 8 1 4.74 -15 -6 7 12.67 5.37 -15 -6 6 49.94 7.09 -15 -6 5 10.36 5.13 -15 -6 4 42.31 7.83 -15 -6 3 9.92 5.75 -15 -7 9 8.1 4.78 -15 -7 8 5.23 4.82 -15 -7 7 -0.54 4.72 -15 -7 6 0.72 4.55 -16 3 5 49.35 8.3 -16 3 4 66.82 9.44 -16 3 3 80.25 9.95 -16 3 2 17.2 6.67 -16 3 1 82.04 8.86 -16 2 6 67.65 9.2 -16 2 5 89.16 10.49 -16 2 4 17.69 7.14 -16 2 3 1.12 6.23 -16 2 2 -15.39 7.31 -16 2 1 -10.89 7 -16 1 7 58.63 8.95 -16 1 6 83.94 10.71 -16 1 5 68.62 9.79 -16 1 4 3.38 6.26 -16 1 3 -8.63 7.62 -16 1 2 -0.65 7.02 -16 1 0 -6.22 6.45 -16 0 7 98.21 10.71 -16 0 6 74.84 10.13 -16 0 5 0.45 6.76 -16 -1 6 32.01 8.32 -16 -1 4 0.07 7.1 -16 -1 2 18.82 5.95 -16 -1 1 -12.36 5.96 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -3 -10 7 0.0585 3 10 -7 0.0483 -8 2 -1 0.0379 8 -1 0 0.0329 -4 -6 11 0.0820 2 7 -11 0.0571 -8 4 0 0.0349 8 -5 1 0.0393 1 3 9 0.0603 -1 -3 -9 0.0523 -7 7 0 0.0291 6 -7 -1 0.0288 1 9 2 0.0245 -2 -9 -2 0.0222 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N3A W1A Cu1A 76.5(3) . . ? N3A W1A N5A 86.6(4) . . ? N3A W1A N1A 81.0(4) . . ? N5A W1A Cu1A 76.3(3) . . ? N5A W1A N1A 82.6(4) . . ? N1A W1A Cu1A 149.8(3) . . ? C1A W1A Cu1A 46.2(4) . . ? C1A W1A N3A 110.2(5) . . ? C1A W1A N5A 108.8(4) . . ? C1A W1A N1A 164.0(5) . . ? C1A W1A C2A 83.8(5) . . ? C1A W1A C3A 83.0(6) . . ? C2A W1A Cu1A 115.0(4) . . ? C2A W1A N3A 90.5(5) . . ? C2A W1A N5A 167.3(5) . . ? C2A W1A N1A 84.7(5) . . ? C3A W1A Cu1A 116.2(4) . . ? C3A W1A N3A 166.5(5) . . ? C3A W1A N5A 92.0(5) . . ? C3A W1A N1A 85.5(5) . . ? C3A W1A C2A 87.9(6) . . ? N3 W1 Cu1 78.6(3) . . ? N3 W1 N5 84.7(5) . . ? N3 W1 N1 82.0(4) . . ? N5 W1 Cu1 78.5(3) . . ? N5 W1 N1 84.6(4) . . ? N1 W1 Cu1 155.4(3) . . ? C3 W1 Cu1 115.0(4) . . ? C3 W1 N3 163.9(5) . . ? C3 W1 N5 89.5(5) . . ? C3 W1 N1 82.4(5) . . ? C1 W1 Cu1 45.4(4) . . ? C1 W1 N3 113.4(5) . . ? C1 W1 N5 109.7(5) . . ? C1 W1 N1 159.2(5) . . ? C1 W1 C3 82.7(6) . . ? C1 W1 C2 83.8(6) . . ? C2 W1 Cu1 111.9(4) . . ? C2 W1 N3 88.9(6) . . ? C2 W1 N5 166.5(5) . . ? C2 W1 N1 82.7(5) . . ? C2 W1 C3 93.4(6) . . ? Cl1 Cu1A W1A 110.52(10) . . ? Cl1A Cu1A W1A 158.68(12) . . ? Cl1A Cu1A Cl1 90.79(13) . . ? C1A Cu1A W1A 44.6(3) . . ? C1A Cu1A Cl1 155.1(4) . . ? C1A Cu1A Cl1A 114.1(4) . . ? Cl1 Cu1 W1 162.51(12) . . ? Cl1A Cu1 W1 105.96(11) . . ? Cl1A Cu1 Cl1 90.88(13) . . ? C1 Cu1 W1 44.8(5) . . ? C1 Cu1 Cl1 118.9(5) . . ? C1 Cu1 Cl1A 150.0(5) . . ? Cu1 Cl1 Cu1A 85.75(12) . . ? Cu1A Cl1A Cu1 86.78(13) . . ? C1A P1A C21A 110.8(6) . . ? C1A P1A C19A 110.7(6) . . ? C1A P1A C20A 110.8(7) . . ? C21A P1A C19A 110.0(7) . . ? C21A P1A C20A 107.3(7) . . ? C19A P1A C20A 107.2(8) . . ? F6A P2A F4A 87.1(7) . . ? F3A P2A F6A 92.0(7) . . ? F3A P2A F1A 89.0(7) . . ? F3A P2A F5A 173.9(12) . . ? F3A P2A F4A 89.9(10) . . ? F1A P2A F6A 178.9(7) . . ? F1A P2A F4A 92.4(9) . . ? F5A P2A F6A 89.7(7) . . ? F5A P2A F1A 89.3(7) . . ? F5A P2A F4A 84.3(10) . . ? F2A P2A F6A 92.9(8) . . ? F2A P2A F3A 96.5(12) . . ? F2A P2A F1A 87.5(9) . . ? F2A P2A F5A 89.2(12) . . ? F2A P2A F4A 173.6(12) . . ? F4 P2 F2 177.3(8) . . ? F5 P2 F4 88.2(8) . . ? F5 P2 F2 90.2(9) . . ? F3 P2 F4 92.6(7) . . ? F3 P2 F2 88.7(7) . . ? F3 P2 F5 173.1(17) . . ? F1 P2 F4 93.5(10) . . ? F1 P2 F2 88.8(11) . . ? F1 P2 F5 92.0(18) . . ? F1 P2 F3 94.8(17) . . ? F1 P2 F6 178.4(19) . . ? F6 P2 F4 86.3(10) . . ? F6 P2 F2 91.5(10) . . ? F6 P2 F5 86.5(15) . . ? F6 P2 F3 86.7(15) . . ? C1 P1 C21 108.8(8) . . ? C1 P1 C20 107.1(8) . . ? C19 P1 C1 112.7(10) . . ? C19 P1 C21 108.9(9) . . ? C19 P1 C20 109.0(15) . . ? C20 P1 C21 110.3(12) . . ? N4A N3A W1A 120.4(8) . . ? C10A N3A W1A 131.8(9) . . ? C10A N3A N4A 107.5(11) . . ? N3A N4A B1A 120.0(10) . . ? C12A N4A N3A 109.5(11) . . ? C12A N4A B1A 130.2(12) . . ? N6A N5A W1A 119.8(8) . . ? N6A N5A C15A 109.7(11) . . ? C15A N5A W1A 130.1(9) . . ? N5A N6A C17A 109.9(12) . . ? N5A N6A B1A 121.5(11) . . ? C17A N6A B1A 128.6(13) . . ? N2A N1A W1A 115.5(8) . . ? C5A N1A W1A 136.3(10) . . ? C5A N1A N2A 107.9(11) . . ? N4 N3 W1 120.7(9) . . ? C10 N3 W1 131.1(12) . . ? C10 N3 N4 108.2(13) . . ? N1A N2A B1A 123.7(10) . . ? C7A N2A N1A 107.1(11) . . ? C7A N2A B1A 129.1(13) . . ? N6 N5 W1 121.2(9) . . ? C15 N5 W1 132.3(10) . . ? C15 N5 N6 106.3(12) . . ? N3 N4 C12 106.5(16) . . ? N3 N4 B1 119.8(12) . . ? C12 N4 B1 133.5(17) . . ? N5 N6 B1 119.9(13) . . ? C17 N6 N5 110.1(14) . . ? C17 N6 B1 129.6(15) . . ? N2 N1 W1 116.2(9) . . ? C5 N1 W1 134.2(11) . . ? C5 N1 N2 109.5(11) . . ? H4A C4 H4B 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? C5 C4 H4A 109.5 . . ? C5 C4 H4B 109.5 . . ? C5 C4 H4C 109.5 . . ? W1A C1A Cu1A 89.3(5) . . ? P1A C1A W1A 152.8(8) . . ? P1A C1A Cu1A 117.9(7) . . ? O2 C3 W1 176.9(13) . . ? W1 C1 Cu1 89.8(7) . . ? P1 C1 W1 146.2(8) . . ? P1 C1 Cu1 123.1(8) . . ? O1 C2 W1 176.8(16) . . ? N1A C5A C6A 109.3(14) . . ? N1A C5A C4A 124.4(15) . . ? C6A C5A C4A 126.3(14) . . ? N1 N2 B1 122.8(12) . . ? C7 N2 N1 108.0(13) . . ? C7 N2 B1 129.1(15) . . ? C10A C11A H11A 127.1 . . ? C12A C11A H11A 127.1 . . ? C12A C11A C10A 105.8(13) . . ? C26A C21A P1A 120.6(11) . . ? C26A C21A C22A 121.5(13) . . ? C22A C21A P1A 117.8(11) . . ? C21A C26A H26A 120.2 . . ? C21A C26A C25A 119.7(15) . . ? C25A C26A H26A 120.2 . . ? N3A C10A C11A 108.7(12) . . ? N3A C10A C9A 122.2(14) . . ? C11A C10A C9A 129.1(13) . . ? C5A C6A H6A 127.7 . . ? C7A C6A C5A 104.7(13) . . ? C7A C6A H6A 127.7 . . ? O1A C2A W1A 179.0(16) . . ? N4A C12A C11A 108.4(13) . . ? N4A C12A C13A 123.8(15) . . ? C11A C12A C13A 127.8(15) . . ? N2A C7A C8A 121.9(14) . . ? C6A C7A N2A 110.9(14) . . ? C6A C7A C8A 127.0(13) . . ? C26A C25A H25A 120.3 . . ? C26A C25A C24A 119.4(15) . . ? C24A C25A H25A 120.3 . . ? O2A C3A W1A 179.4(15) . . ? P1A C19A H19A 109.5 . . ? P1A C19A H19B 109.5 . . ? P1A C19A H19C 109.5 . . ? H19A C19A H19B 109.5 . . ? H19A C19A H19C 109.5 . . ? H19B C19A H19C 109.5 . . ? C17A C16A H16A 126.2 . . ? C17A C16A C15A 107.5(12) . . ? C15A C16A H16A 126.2 . . ? C5A C4A H4AA 109.5 . . ? C5A C4A H4AB 109.5 . . ? C5A C4A H4AC 109.5 . . ? H4AA C4A H4AB 109.5 . . ? H4AA C4A H4AC 109.5 . . ? H4AB C4A H4AC 109.5 . . ? C10A C9A H9AA 109.5 . . ? C10A C9A H9AB 109.5 . . ? C10A C9A H9AC 109.5 . . ? H9AA C9A H9AB 109.5 . . ? H9AA C9A H9AC 109.5 . . ? H9AB C9A H9AC 109.5 . . ? C21A C22A H22A 120.8 . . ? C23A C22A C21A 118.5(16) . . ? C23A C22A H22A 120.8 . . ? N3 C10 C9 122.4(16) . . ? C11 C10 N3 108(2) . . ? C11 C10 C9 129.3(18) . . ? N6 C17 C16 108.9(15) . . ? N6 C17 C18 121.9(18) . . ? C16 C17 C18 128.9(17) . . ? N6A C17A C16A 106.2(13) . . ? N6A C17A C18A 124.2(14) . . ? C16A C17A C18A 129.5(13) . . ? N5A C15A C16A 106.6(13) . . ? N5A C15A C14A 126.9(12) . . ? C16A C15A C14A 126.5(13) . . ? N5 C15 C16 109.5(15) . . ? N5 C15 C14 121.8(13) . . ? C16 C15 C14 128.6(15) . . ? C22A C23A H23A 119.6 . . ? C24A C23A C22A 120.8(16) . . ? C24A C23A H23A 119.6 . . ? N1 C5 C4 127.7(14) . . ? N1 C5 C6 107.1(14) . . ? C6 C5 C4 125.2(14) . . ? C26 C21 P1 117.0(14) . . ? C26 C21 C22 116(2) . . ? C22 C21 P1 126.1(17) . . ? C7A C8A H8AA 109.5 . . ? C7A C8A H8AB 109.5 . . ? C7A C8A H8AC 109.5 . . ? H8AA C8A H8AB 109.5 . . ? H8AA C8A H8AC 109.5 . . ? H8AB C8A H8AC 109.5 . . ? C15A C14A H14A 109.5 . . ? C15A C14A H14B 109.5 . . ? C15A C14A H14C 109.5 . . ? H14A C14A H14B 109.5 . . ? H14A C14A H14C 109.5 . . ? H14B C14A H14C 109.5 . . ? P1A C20A H20A 109.5 . . ? P1A C20A H20B 109.5 . . ? P1A C20A H20C 109.5 . . ? H20A C20A H20B 109.5 . . ? H20A C20A H20C 109.5 . . ? H20B C20A H20C 109.5 . . ? N4A B1A N2A 106.9(11) . . ? N4A B1A H1A 108(6) . . ? N6A B1A N4A 108.2(11) . . ? N6A B1A N2A 108.8(12) . . ? N6A B1A H1A 110(6) . . ? N2A B1A H1A 115(6) . . ? C5 C6 H6 126.4 . . ? C7 C6 C5 107.3(14) . . ? C7 C6 H6 126.4 . . ? C10 C9 H9A 109.5 . . ? C10 C9 H9B 109.5 . . ? C10 C9 H9C 109.5 . . ? H9A C9 H9B 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? N2 C7 C6 108.1(15) . . ? N2 C7 C8 121.6(17) . . ? C6 C7 C8 130.3(16) . . ? C17 C16 C15 105.0(14) . . ? C17 C16 H16 127.5 . . ? C15 C16 H16 127.5 . . ? C12A C13A H13A 109.5 . . ? C12A C13A H13B 109.5 . . ? C12A C13A H13C 109.5 . . ? H13A C13A H13B 109.5 . . ? H13A C13A H13C 109.5 . . ? H13B C13A H13C 109.5 . . ? C15 C14 H14D 109.5 . . ? C15 C14 H14E 109.5 . . ? C15 C14 H14F 109.5 . . ? H14D C14 H14E 109.5 . . ? H14D C14 H14F 109.5 . . ? H14E C14 H14F 109.5 . . ? N4 C12 C13 119(2) . . ? C11 C12 N4 107.7(19) . . ? C11 C12 C13 134(2) . . ? C21 C26 H26 118.0 . . ? C25 C26 C21 124(2) . . ? C25 C26 H26 118.0 . . ? C25A C24A H24A 120.0 . . ? C23A C24A C25A 120.0(15) . . ? C23A C24A H24A 120.0 . . ? C21 C22 H22 119.3 . . ? C23 C22 C21 121(2) . . ? C23 C22 H22 119.3 . . ? C17A C18A H18A 109.5 . . ? C17A C18A H18B 109.5 . . ? C17A C18A H18C 109.5 . . ? H18A C18A H18B 109.5 . . ? H18A C18A H18C 109.5 . . ? H18B C18A H18C 109.5 . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8B 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C10 C11 C12 109.4(19) . . ? C10 C11 H11 125.3 . . ? C12 C11 H11 125.3 . . ? C26 C25 H25 121.4 . . ? C24 C25 C26 117(2) . . ? C24 C25 H25 121.4 . . ? N4 B1 N6 106.9(13) . . ? N4 B1 N2 107.8(16) . . ? N4 B1 H1 111(8) . . ? N6 B1 N2 109.1(15) . . ? N6 B1 H1 113(8) . . ? N2 B1 H1 109(7) . . ? P1 C19 H19D 109.5 . . ? P1 C19 H19E 109.5 . . ? P1 C19 H19F 109.5 . . ? H19D C19 H19E 109.5 . . ? H19D C19 H19F 109.5 . . ? H19E C19 H19F 109.5 . . ? C22 C23 H23 120.6 . . ? C22 C23 C24 119(2) . . ? C24 C23 H23 120.6 . . ? C25 C24 C23 122(2) . . ? C25 C24 H24 119.0 . . ? C23 C24 H24 119.0 . . ? C17 C18 H18D 109.5 . . ? C17 C18 H18E 109.5 . . ? C17 C18 H18F 109.5 . . ? H18D C18 H18E 109.5 . . ? H18D C18 H18F 109.5 . . ? H18E C18 H18F 109.5 . . ? C12 C13 H13D 109.5 . . ? C12 C13 H13E 109.5 . . ? C12 C13 H13F 109.5 . . ? H13D C13 H13E 109.5 . . ? H13D C13 H13F 109.5 . . ? H13E C13 H13F 109.5 . . ? P1 C20 H20D 109.5 . . ? P1 C20 H20E 109.5 . . ? P1 C20 H20F 109.5 . . ? H20D C20 H20E 109.5 . . ? H20D C20 H20F 109.5 . . ? H20E C20 H20F 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag W1A Cu1A 2.6687(18) . ? W1A N3A 2.183(9) . ? W1A N5A 2.194(10) . ? W1A N1A 2.241(10) . ? W1A C1A 1.874(11) . ? W1A C2A 2.055(15) . ? W1A C3A 2.002(17) . ? W1 Cu1 2.6856(19) . ? W1 N3 2.165(11) . ? W1 N5 2.182(11) . ? W1 N1 2.229(10) . ? W1 C3 2.052(18) . ? W1 C1 1.892(16) . ? W1 C2 2.035(18) . ? Cu1A Cl1 2.304(4) . ? Cu1A Cl1A 2.274(4) . ? Cu1A C1A 1.925(13) . ? Cu1 Cl1 2.294(3) . ? Cu1 Cl1A 2.280(4) . ? Cu1 C1 1.913(15) . ? P1A C1A 1.791(11) . ? P1A C21A 1.794(13) . ? P1A C19A 1.800(16) . ? P1A C20A 1.803(16) . ? P2A F6A 1.587(11) . ? P2A F3A 1.529(12) . ? P2A F1A 1.580(11) . ? P2A F5A 1.561(13) . ? P2A F4A 1.591(14) . ? P2A F2A 1.516(13) . ? P2 F4 1.573(11) . ? P2 F2 1.574(12) . ? P2 F5 1.521(15) . ? P2 F3 1.520(15) . ? P2 F1 1.425(16) . ? P2 F6 1.519(19) . ? P1 C1 1.776(17) . ? P1 C21 1.806(19) . ? P1 C19 1.76(2) . ? P1 C20 1.78(3) . ? N3A N4A 1.355(14) . ? N3A C10A 1.345(16) . ? N4A C12A 1.343(18) . ? N4A B1A 1.537(19) . ? N5A N6A 1.336(16) . ? N5A C15A 1.338(16) . ? N6A C17A 1.360(16) . ? N6A B1A 1.532(18) . ? O2 C3 1.116(19) . ? N1A N2A 1.382(16) . ? N1A C5A 1.321(18) . ? N3 N4 1.378(18) . ? N3 C10 1.36(2) . ? O2A C3A 1.148(19) . ? N2A C7A 1.359(17) . ? N2A B1A 1.553(19) . ? N5 N6 1.344(16) . ? N5 C15 1.334(18) . ? O1 C2 1.13(2) . ? N4 C12 1.38(2) . ? N4 B1 1.55(3) . ? N6 C17 1.338(19) . ? N6 B1 1.55(2) . ? N1 N2 1.386(18) . ? N1 C5 1.317(18) . ? O1A C2A 1.114(17) . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C4 C5 1.44(2) . ? C5A C6A 1.43(2) . ? C5A C4A 1.50(2) . ? N2 C7 1.35(2) . ? N2 B1 1.57(2) . ? C11A H11A 0.9300 . ? C11A C10A 1.40(2) . ? C11A C12A 1.37(2) . ? C21A C26A 1.37(2) . ? C21A C22A 1.41(2) . ? C26A H26A 0.9300 . ? C26A C25A 1.397(19) . ? C10A C9A 1.51(2) . ? C6A H6A 0.9300 . ? C6A C7A 1.34(2) . ? C12A C13A 1.48(2) . ? C7A C8A 1.54(2) . ? C25A H25A 0.9300 . ? C25A C24A 1.41(2) . ? C19A H19A 0.9600 . ? C19A H19B 0.9600 . ? C19A H19C 0.9600 . ? C16A H16A 0.9300 . ? C16A C17A 1.38(2) . ? C16A C15A 1.41(2) . ? C4A H4AA 0.9600 . ? C4A H4AB 0.9600 . ? C4A H4AC 0.9600 . ? C9A H9AA 0.9600 . ? C9A H9AB 0.9600 . ? C9A H9AC 0.9600 . ? C22A H22A 0.9300 . ? C22A C23A 1.39(2) . ? C10 C9 1.50(3) . ? C10 C11 1.33(3) . ? C17 C16 1.34(3) . ? C17 C18 1.51(2) . ? C17A C18A 1.50(2) . ? C15A C14A 1.48(2) . ? C15 C16 1.40(2) . ? C15 C14 1.50(2) . ? C23A H23A 0.9300 . ? C23A C24A 1.38(3) . ? C5 C6 1.42(2) . ? C21 C26 1.38(3) . ? C21 C22 1.39(3) . ? C8A H8AA 0.9600 . ? C8A H8AB 0.9600 . ? C8A H8AC 0.9600 . ? C14A H14A 0.9600 . ? C14A H14B 0.9600 . ? C14A H14C 0.9600 . ? C20A H20A 0.9600 . ? C20A H20B 0.9600 . ? C20A H20C 0.9600 . ? B1A H1A 1.10(2) . ? C6 H6 0.9300 . ? C6 C7 1.36(2) . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C7 C8 1.49(2) . ? C16 H16 0.9300 . ? C13A H13A 0.9600 . ? C13A H13B 0.9600 . ? C13A H13C 0.9600 . ? C14 H14D 0.9600 . ? C14 H14E 0.9600 . ? C14 H14F 0.9600 . ? C12 C11 1.35(3) . ? C12 C13 1.50(3) . ? C26 H26 0.9300 . ? C26 C25 1.38(3) . ? C24A H24A 0.9300 . ? C22 H22 0.9300 . ? C22 C23 1.36(3) . ? C18A H18A 0.9600 . ? C18A H18B 0.9600 . ? C18A H18C 0.9600 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C11 H11 0.9300 . ? C25 H25 0.9300 . ? C25 C24 1.34(3) . ? B1 H1 1.12(14) . ? C19 H19D 0.9600 . ? C19 H19E 0.9600 . ? C19 H19F 0.9600 . ? C23 H23 0.9300 . ? C23 C24 1.40(3) . ? C24 H24 0.9300 . ? C18 H18D 0.9600 . ? C18 H18E 0.9600 . ? C18 H18F 0.9600 . ? C13 H13D 0.9600 . ? C13 H13E 0.9600 . ? C13 H13F 0.9600 . ? C20 H20D 0.9600 . ? C20 H20E 0.9600 . ? C20 H20F 0.9600 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag W1A N3A N4A C12A 174.5(9) . . . . ? W1A N3A N4A B1A -11.5(14) . . . . ? W1A N3A C10A C11A -173.2(9) . . . . ? W1A N3A C10A C9A 7.2(19) . . . . ? W1A N5A N6A C17A -172.9(8) . . . . ? W1A N5A N6A B1A 7.9(15) . . . . ? W1A N5A C15A C16A 172.6(10) . . . . ? W1A N5A C15A C14A -8(2) . . . . ? W1A N1A N2A C7A 175.1(9) . . . . ? W1A N1A N2A B1A -1.5(15) . . . . ? W1A N1A C5A C6A -171.7(10) . . . . ? W1A N1A C5A C4A 8(2) . . . . ? W1 N3 N4 C12 -179.2(10) . . . . ? W1 N3 N4 B1 -3.8(16) . . . . ? W1 N3 C10 C9 1(2) . . . . ? W1 N3 C10 C11 179.6(11) . . . . ? W1 N5 N6 C17 -178.2(10) . . . . ? W1 N5 N6 B1 7.9(18) . . . . ? W1 N5 C15 C16 175.9(10) . . . . ? W1 N5 C15 C14 -1(2) . . . . ? W1 N1 N2 C7 -177.7(11) . . . . ? W1 N1 N2 B1 7(2) . . . . ? W1 N1 C5 C4 -2(2) . . . . ? W1 N1 C5 C6 176.6(11) . . . . ? Cu1A W1A C1A P1A -176.8(19) . . . . ? Cu1 W1 C1 P1 167.6(18) . . . . ? P1A C21A C26A C25A 177.6(11) . . . . ? P1A C21A C22A C23A -178.6(13) . . . . ? P1 C21 C26 C25 -172.2(16) . . . . ? P1 C21 C22 C23 171.1(16) . . . . ? N3A W1A C1A Cu1A 45.8(5) . . . . ? N3A W1A C1A P1A -131.0(15) . . . . ? N3A N4A C12A C11A -0.5(17) . . . . ? N3A N4A C12A C13A -178.5(14) . . . . ? N3A N4A B1A N6A 64.9(15) . . . . ? N3A N4A B1A N2A -52.2(15) . . . . ? N4A N3A C10A C11A 0.1(14) . . . . ? N4A N3A C10A C9A -179.5(12) . . . . ? N5A W1A C1A Cu1A -47.6(5) . . . . ? N5A W1A C1A P1A 135.6(15) . . . . ? N5A N6A C17A C16A -1.0(15) . . . . ? N5A N6A C17A C18A 176.8(13) . . . . ? N5A N6A B1A N4A -63.0(16) . . . . ? N5A N6A B1A N2A 52.7(16) . . . . ? N6A N5A C15A C16A -0.2(15) . . . . ? N6A N5A C15A C14A 179.4(13) . . . . ? N1A W1A C1A Cu1A 178.3(14) . . . . ? N1A W1A C1A P1A 1(3) . . . . ? N1A N2A C7A C6A -2.2(17) . . . . ? N1A N2A C7A C8A -178.8(13) . . . . ? N1A N2A B1A N4A 60.2(15) . . . . ? N1A N2A B1A N6A -56.4(16) . . . . ? N1A C5A C6A C7A -2.7(18) . . . . ? N3 W1 C1 Cu1 43.3(6) . . . . ? N3 W1 C1 P1 -149.2(13) . . . . ? N3 N4 C12 C11 -0.5(19) . . . . ? N3 N4 C12 C13 179.8(15) . . . . ? N3 N4 B1 N6 61.2(18) . . . . ? N3 N4 B1 N2 -56.0(17) . . . . ? N3 C10 C11 C12 -1(2) . . . . ? N2A N1A C5A C6A 1.4(16) . . . . ? N2A N1A C5A C4A -178.7(15) . . . . ? N5 W1 C1 Cu1 -49.5(6) . . . . ? N5 W1 C1 P1 118.0(14) . . . . ? N5 N6 C17 C16 3.0(19) . . . . ? N5 N6 C17 C18 176.9(15) . . . . ? N5 N6 B1 N4 -63.8(18) . . . . ? N5 N6 B1 N2 53(2) . . . . ? N5 C15 C16 C17 1.5(18) . . . . ? N4 N3 C10 C9 -178.7(13) . . . . ? N4 N3 C10 C11 0.3(17) . . . . ? N4 C12 C11 C10 1(2) . . . . ? N6 N5 C15 C16 0.3(16) . . . . ? N6 N5 C15 C14 -176.7(13) . . . . ? N6 C17 C16 C15 -2.7(19) . . . . ? N1 W1 C1 Cu1 179.0(11) . . . . ? N1 W1 C1 P1 -13(3) . . . . ? N1 N2 C7 C6 1(2) . . . . ? N1 N2 C7 C8 178.5(18) . . . . ? N1 N2 B1 N4 54(2) . . . . ? N1 N2 B1 N6 -62(2) . . . . ? N1 C5 C6 C7 1.0(19) . . . . ? C4 C5 C6 C7 179.3(16) . . . . ? C1A P1A C21A C26A -107.8(12) . . . . ? C1A P1A C21A C22A 68.6(13) . . . . ? C3 W1 C1 Cu1 -136.4(6) . . . . ? C3 W1 C1 P1 31.2(14) . . . . ? C1 P1 C21 C26 78.1(15) . . . . ? C1 P1 C21 C22 -94.3(18) . . . . ? C2 W1 C1 Cu1 129.3(6) . . . . ? C2 W1 C1 P1 -63.1(15) . . . . ? C5A N1A N2A C7A 0.4(15) . . . . ? C5A N1A N2A B1A -176.3(12) . . . . ? C5A C6A C7A N2A 2.9(18) . . . . ? C5A C6A C7A C8A 179.3(15) . . . . ? N2 N1 C5 C4 -178.9(15) . . . . ? N2 N1 C5 C6 -0.7(17) . . . . ? C21A P1A C1A W1A -116.3(15) . . . . ? C21A P1A C1A Cu1A 67.3(9) . . . . ? C21A C26A C25A C24A 0(2) . . . . ? C21A C22A C23A C24A 2(3) . . . . ? C26A C21A C22A C23A -2(2) . . . . ? C26A C25A C24A C23A 0(3) . . . . ? C10A N3A N4A C12A 0.2(14) . . . . ? C10A N3A N4A B1A 174.3(11) . . . . ? C10A C11A C12A N4A 0.6(17) . . . . ? C10A C11A C12A C13A 178.4(16) . . . . ? C2A W1A C1A Cu1A 134.0(6) . . . . ? C2A W1A C1A P1A -42.8(16) . . . . ? C12A N4A B1A N6A -122.5(15) . . . . ? C12A N4A B1A N2A 120.5(15) . . . . ? C12A C11A C10A N3A -0.5(16) . . . . ? C12A C11A C10A C9A 179.1(14) . . . . ? C7A N2A B1A N4A -115.7(14) . . . . ? C7A N2A B1A N6A 127.7(14) . . . . ? C3A W1A C1A Cu1A -137.3(6) . . . . ? C3A W1A C1A P1A 45.8(16) . . . . ? C19A P1A C1A W1A 121.5(16) . . . . ? C19A P1A C1A Cu1A -55.0(9) . . . . ? C19A P1A C21A C26A 14.8(14) . . . . ? C19A P1A C21A C22A -168.8(11) . . . . ? C4A C5A C6A C7A 177.5(17) . . . . ? C22A C21A C26A C25A 1(2) . . . . ? C22A C23A C24A C25A -1(3) . . . . ? C10 N3 N4 C12 0.1(15) . . . . ? C10 N3 N4 B1 175.6(13) . . . . ? C17 N6 B1 N4 123.7(18) . . . . ? C17 N6 B1 N2 -120.0(18) . . . . ? C17A N6A B1A N4A 117.9(14) . . . . ? C17A N6A B1A N2A -126.3(14) . . . . ? C17A C16A C15A N5A -0.4(17) . . . . ? C17A C16A C15A C14A -180.0(14) . . . . ? C15A N5A N6A C17A 0.8(15) . . . . ? C15A N5A N6A B1A -178.4(12) . . . . ? C15A C16A C17A N6A 0.8(16) . . . . ? C15A C16A C17A C18A -176.9(15) . . . . ? C15 N5 N6 C17 -2.0(16) . . . . ? C15 N5 N6 B1 -175.9(14) . . . . ? C5 N1 N2 C7 0.1(18) . . . . ? C5 N1 N2 B1 -175.6(16) . . . . ? C5 C6 C7 N2 -1(2) . . . . ? C5 C6 C7 C8 -179(2) . . . . ? C21 P1 C1 W1 31.6(17) . . . . ? C21 P1 C1 Cu1 -163.3(9) . . . . ? C21 C26 C25 C24 2(3) . . . . ? C21 C22 C23 C24 -1(3) . . . . ? C20A P1A C1A W1A 2.6(18) . . . . ? C20A P1A C1A Cu1A -173.8(8) . . . . ? C20A P1A C21A C26A 131.1(13) . . . . ? C20A P1A C21A C22A -52.5(13) . . . . ? B1A N4A C12A C11A -173.8(13) . . . . ? B1A N4A C12A C13A 8(2) . . . . ? B1A N6A C17A C16A 178.2(13) . . . . ? B1A N6A C17A C18A -4(2) . . . . ? B1A N2A C7A C6A 174.3(14) . . . . ? B1A N2A C7A C8A -2(2) . . . . ? C9 C10 C11 C12 178.3(17) . . . . ? C7 N2 B1 N4 -120.6(19) . . . . ? C7 N2 B1 N6 123.7(19) . . . . ? C14 C15 C16 C17 178.2(15) . . . . ? C12 N4 B1 N6 -124.9(18) . . . . ? C12 N4 B1 N2 117.9(19) . . . . ? C26 C21 C22 C23 -1(3) . . . . ? C26 C25 C24 C23 -4(4) . . . . ? C22 C21 C26 C25 1(3) . . . . ? C22 C23 C24 C25 4(4) . . . . ? B1 N4 C12 C11 -175.0(17) . . . . ? B1 N4 C12 C13 5(3) . . . . ? B1 N6 C17 C16 176.1(17) . . . . ? B1 N6 C17 C18 -10(3) . . . . ? B1 N2 C7 C6 175.9(18) . . . . ? B1 N2 C7 C8 -6(3) . . . . ? C19 P1 C1 W1 152.5(16) . . . . ? C19 P1 C1 Cu1 -42.4(14) . . . . ? C19 P1 C21 C26 -45.2(19) . . . . ? C19 P1 C21 C22 142.4(19) . . . . ? C18 C17 C16 C15 -176.1(17) . . . . ? C13 C12 C11 C10 -180(2) . . . . ? C20 P1 C1 W1 -87.6(19) . . . . ? C20 P1 C1 Cu1 77.5(15) . . . . ? C20 P1 C21 C26 -164.7(16) . . . . ? C20 P1 C21 C22 23(2) . . . . ? loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z -3.3367 -9.8714 6.9633 0.2268 0.9466 -0.2292 2.6301 10.1643 -7.0965 -0.2214 -0.9234 0.3135 -8.3910 1.9893 -0.5768 0.0904 0.3860 0.9180 8.4964 -1.3095 0.1086 -0.1042 -0.4433 -0.8903 -3.5281 -6.1231 10.9301 -0.3779 0.9108 -0.1661 1.9011 7.0127 -11.0255 0.3567 -0.8608 0.3631 -8.1119 3.9372 0.2134 -0.1263 0.2993 0.9458 7.7423 -4.8151 1.2588 0.0770 -0.1803 -0.9806 0.9879 2.6438 8.9671 -0.9667 0.1268 -0.2225 -0.7208 -2.9011 -8.9044 0.9745 -0.1278 0.1846 -6.7490 6.9525 -0.4885 -0.3223 0.0402 0.9458 6.4388 -7.1536 -0.7992 0.4516 -0.0572 -0.8904 1.0068 9.2990 1.7354 -0.8574 -0.4671 0.2161 -2.0461 -8.6261 -2.2734 0.8759 0.4768 -0.0741 loop_ _smtbx_masks_void_nr _smtbx_masks_void_average_x _smtbx_masks_void_average_y _smtbx_masks_void_average_z _smtbx_masks_void_volume _smtbx_masks_void_count_electrons _smtbx_masks_void_content 1 -0.993 0.500 0.500 525.4 119.8 '8 CHCl3' 2 0.183 0.941 0.026 11.0 0.0 ? 3 0.817 0.059 0.974 11.0 0.0 ? loop_ _hkl_oxdiff_h _hkl_oxdiff_k _hkl_oxdiff_l _hkl_oxdiff_f2 _hkl_oxdiff_sig _hkl_oxdiff_ba 0 0 -2 581879. 5547.12 1 0 0 -3 71289.3 2442.71 1 0 0 -4 66792.4 2753.27 1 0 0 -5 -41.8782 741.052 1 0 0 -6 148263. 5050.11 1 0 0 -7 48134.9 3208.46 1 0 0 -8 135549. 5726.31 1 0 0 -9 43277.2 3556.39 1 0 0 -10 54832.9 4297.90 1 0 0 -11 3520.07 1376.12 1 0 0 -12 1933.96 1360.98 1 0 0 13 42259.6 2233.09 9 0 0 -14 10861.7 1277.29 7 0 0 14 11328.5 1329.97 9 0 0 -15 84031.1 3132.85 7 0 0 15 80046.1 3165.42 9 0 0 16 847.942 761.919 9 0 0 -16 1169.45 762.654 7 0 0 -17 23652.3 1681.15 7 0 0 -18 1379.26 682.468 7 0 0 -19 498.402 497.632 7 0 1 -20 -1047.35 510.822 7 0 1 -19 8128.46 924.229 7 0 1 -18 1433.71 711.235 7 0 -1 17 12586.9 1311.65 9 0 1 -17 13353.8 1343.60 7 0 -1 16 2839.88 983.440 9 0 1 -16 3718.41 984.342 7 0 -1 15 2990.37 908.317 9 0 1 -15 3201.06 878.472 7 0 -1 14 1056.03 824.542 9 0 -1 13 5599.30 1051.32 9 0 1 -12 59655.5 4995.32 1 0 1 -11 31186.0 3443.73 1 0 1 -10 65495.7 4603.89 1 0 1 -9 3061.48 1236.30 1 0 1 -8 11934.5 1816.79 1 0 1 -7 394.235 819.585 1 0 1 -6 98563.5 4062.73 1 0 1 -5 30193.1 2144.49 1 0 1 -4 245273. 5009.20 1 0 1 -3 2916.53 675.568 1 0 1 -2 390894. 4178.67 1 0 -1 -1 26866.0 1001.45 2 0 -1 -2 31348.5 1593.86 1 0 -1 -3 221773. 4705.02 1 0 -1 -4 569656. 8465.94 1 0 -1 -5 136000. 4663.30 1 0 -1 -6 88704.6 4147.07 1 0 -1 -7 5677.77 1357.80 1 0 -1 -8 2434.19 1204.53 1 0 -1 -9 10344.8 1926.75 1 0 -1 -10 37926.1 3762.52 1 0 -1 -11 91642.7 6217.82 1 0 -1 -12 10041.0 2340.49 1 0 -1 -13 97010.5 3274.74 7 0 1 13 97565.8 3394.21 9 0 -1 -14 1538.88 844.989 7 0 1 14 1013.95 837.530 9 0 -1 -15 15587.0 1520.06 7 0 -1 -16 4507.04 1062.04 7 0 -1 -17 8686.75 1118.05 7 0 -1 -18 -335.270 636.064 7 0 -1 -19 7316.53 785.818 7 0 2 -20 683.848 499.004 7 0 2 -19 596.487 580.232 7 0 2 -18 8460.85 1080.10 7 0 -2 17 8374.76 1113.33 9 0 2 -17 8719.63 1128.90 7 0 -2 16 38855.5 2214.08 9 0 2 -16 38997.6 2204.77 7 0 -2 15 8711.59 1198.33 9 0 -2 14 25601.7 1799.17 9 0 -2 13 4122.72 979.639 9 0 2 -13 3740.49 1618.58 1 0 2 -12 241.282 1043.52 1 0 2 -11 1499.93 1221.82 1 0 2 -10 36006.2 3464.76 1 0 2 -9 1666.24 1071.97 1 0 2 -8 88589.3 4565.75 1 0 2 -7 41124.2 2886.97 1 0 2 -6 181110. 5300.28 1 0 2 -5 279714. 5802.09 1 0 2 -4 123696. 3392.49 1 0 2 -3 37678.8 1711.91 1 0 2 -2 75076.6 2084.21 1 0 2 -1 49093.3 1579.89 1 0 -2 0 199481. 2434.19 2 0 2 0 192037. 3092.45 5 0 -2 -1 211874. 3149.67 2 0 2 1 224306. 3145.28 5 0 2 2 13013.5 936.610 5 0 -2 -3 27023.3 1915.32 1 0 -2 -4 9893.03 1467.01 1 0 -2 -5 51768.8 3210.50 1 0 -2 -6 17249.1 2052.45 1 0 -2 -7 201843. 7191.99 1 0 -2 -8 426.169 948.790 1 0 -2 -9 196436. 8279.47 1 0 -2 -10 2437.10 1485.53 1 0 -2 -11 13140.6 2670.10 1 0 2 12 1790.40 895.543 9 0 -2 -12 1456.98 812.970 7 0 -2 -13 724.719 741.612 7 0 2 13 1236.80 827.203 9 0 -2 -14 3849.36 961.657 7 0 -2 -15 17839.8 1559.90 7 0 -2 -16 14079.8 1394.98 7 0 -2 -17 8402.34 1063.35 7 0 -2 -18 1340.28 602.741 7 0 2 19 946.044 463.078 14 0 3 -20 22072.8 1297.22 7 0 3 -19 -174.182 587.584 7 0 -3 18 10172.2 1120.95 9 0 3 -18 10945.7 1191.60 7 0 -3 17 705.051 682.679 9 0 3 -17 2138.44 857.714 7 0 -3 16 1847.55 746.543 9 0 -3 15 1468.97 871.159 9 0 -3 14 6255.89 1045.47 9 0 3 -13 860.954 1138.44 1 0 3 -13 938.779 720.739 12 0 3 -12 44095.6 4306.64 1 0 3 -11 2147.11 1418.16 1 0 3 -10 41309.9 3666.01 1 0 3 -9 3766.79 1299.06 1 0 3 -8 12010.8 1823.67 1 0 3 -7 47820.9 3038.81 1 0 3 -6 3360.16 959.714 1 0 3 -5 13048.2 1422.50 1 0 3 -4 20553.5 1516.51 1 0 3 -3 276420. 4811.23 1 0 3 -2 7392.81 950.200 1 0 3 -1 41836.5 1443.68 3 0 -3 0 18253.6 946.696 2 0 3 0 17655.4 1276.93 5 0 3 1 38415.3 1724.83 5 0 -3 -1 33957.3 1463.55 2 0 3 2 22943.7 1379.90 5 0 3 3 231097. 4315.20 5 0 -3 -3 245162. 6277.29 1 0 -3 -4 15932.9 1940.31 1 0 3 4 15503.0 1358.02 5 0 -3 -5 61424.9 3807.48 1 0 3 5 60312.0 2729.16 5 0 -3 -6 5142.51 1411.45 1 0 -3 -7 620.454 967.935 1 0 -3 -8 40593.9 3856.91 1 0 -3 -9 4279.75 1585.05 1 0 -3 -10 26328.8 3617.40 1 0 -3 -11 9184.76 1097.14 7 0 -3 -12 14638.5 1337.19 7 0 -3 -13 9472.03 1219.43 7 0 -3 -14 8795.09 1187.09 7 0 -3 -15 256.860 723.722 7 0 -3 -16 -496.361 751.346 7 0 -3 -17 960.367 643.440 7 0 -3 -18 12283.8 952.178 7 0 3 18 11044.3 996.255 14 0 4 -21 1925.99 512.942 7 0 4 -20 -30.0388 492.875 7 0 -4 19 2304.29 711.912 9 0 4 -19 1961.91 702.374 7 0 -4 18 6609.88 968.341 9 0 4 -18 7636.55 1056.95 7 0 -4 17 -656.944 774.083 9 0 -4 16 20303.3 1653.14 9 0 -4 15 11049.5 1318.06 9 0 -4 14 8303.59 1187.11 9 0 4 -14 6518.66 1063.08 16 0 4 -14 5957.89 971.728 12 0 4 -13 2184.22 1464.36 1 0 4 -12 1312.34 1081.14 1 0 4 -11 22550.3 2965.61 1 0 4 -10 24307.7 2879.60 1 0 4 -9 174837. 6801.24 1 0 4 -8 1601.78 929.858 1 0 4 -7 108854. 4452.09 1 0 4 -6 1690.55 836.913 1 0 4 -5 13216.3 1441.03 1 0 4 -4 118001. 3732.22 1 0 4 -3 6138.28 1045.37 1 0 4 -2 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715.991 7 -2 -9 21 10339.3 954.633 9 -2 -9 20 1358.73 646.490 9 2 9 -19 1583.19 896.491 16 -2 -9 19 3054.23 846.335 9 2 9 -18 1677.59 860.371 16 -2 -9 18 1639.46 800.780 9 2 9 -17 -773.090 823.915 16 2 9 -17 -1145.03 832.500 12 2 9 -16 1648.02 810.188 16 2 9 -16 3094.66 924.220 12 2 9 -15 13180.0 1285.41 16 2 9 -15 15632.1 1465.02 12 2 9 -14 1714.96 835.988 12 2 9 -14 672.839 763.730 16 2 9 -13 36973.3 4499.20 1 2 9 -13 33456.0 1833.50 16 2 9 -12 5410.95 1840.02 1 2 9 -11 6583.87 1991.34 1 2 9 -10 1633.75 1221.38 1 2 9 -9 7081.87 1900.53 1 2 9 -9 7494.28 1720.04 4 2 9 -8 85467.2 5047.23 4 2 9 -7 40610.6 3576.77 4 2 9 -6 4218.43 1458.65 4 2 9 -5 51459.3 4117.78 4 2 9 -4 59781.9 4409.05 4 2 9 -3 12403.8 2191.68 4 2 9 -2 46988.4 3893.19 4 2 9 -1 8255.07 1868.12 4 2 9 0 921.640 1064.27 4 2 9 1 16756.5 2725.50 4 2 9 2 60048.9 5080.48 4 2 9 3 4084.55 1900.12 4 -2 -9 -3 1945.01 1402.76 1 -2 -9 -4 51511.6 5222.34 1 2 9 4 56571.1 5741.17 4 2 9 5 5929.20 1183.53 14 -2 -9 -5 5950.34 1079.72 7 2 9 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