#------------------------------------------------------------------------------ #$Date: 2024-09-06 03:00:21 +0300 (Fri, 06 Sep 2024) $ #$Revision: 294501 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/21/1572166.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_1572166 loop_ _publ_author_name 'Madron du Vigné, Adrien' 'Cramer, Nicolai' _publ_section_title ; Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes. ; _journal_issue 34 _journal_name_full 'Chemical science' _journal_page_first 13864 _journal_page_last 13871 _journal_paper_doi 10.1039/d4sc04278f _journal_volume 15 _journal_year 2024 _chemical_absolute_configuration rmad _chemical_formula_moiety 'C35 H45 Cl2 N O Ru' _chemical_formula_sum 'C35 H45 Cl2 N O Ru' _chemical_formula_weight 667.69 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2024-05-01 _audit_creation_method ; Olex2 1.5 (compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928) ; _audit_update_record ; 2024-06-27 deposited with the CCDC. 2024-07-24 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.5043(3) _cell_length_b 16.0340(4) _cell_length_c 17.8672(5) _cell_measurement_reflns_used 16254 _cell_measurement_temperature 139.99(10) _cell_measurement_theta_max 73.3690 _cell_measurement_theta_min 3.6770 _cell_volume 3295.78(15) _computing_cell_refinement 'CrysAlisPro 1.171.43.120a (Rigaku OD, 2024)' _computing_data_collection 'CrysAlisPro system (CCD 43.120a 64-bit (release 16-04-2024))' _computing_data_reduction 'CrysAlisPro 1.171.43.120a (Rigaku OD, 2024)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2019/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT (Sheldrick, 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 139.99(10) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_detector_type 'HyPix-Arc 150' _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.989 _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 50.00 75.00 0.50 2.00 -- 63.42-167.00 34.00 50 2 \w 45.00 70.00 0.50 2.00 -- 63.42-116.00-179.00 50 3 \w -76.00 -51.00 0.50 2.00 -- -64.25-167.00 34.00 50 4 \w -96.00 -71.00 0.50 2.00 -- -64.25 167.00 54.00 50 5 \w -79.00 -54.00 0.50 2.00 -- -64.25 116.00 -91.00 50 6 \w -90.00 -58.00 0.50 2.00 -- -70.98 116.00 -91.00 64 7 \w -83.00 -43.00 0.50 2.00 -- -70.98 167.00 54.00 80 8 \w 56.00 81.00 0.50 2.00 -- 75.74-116.00-179.00 50 9 \w 87.00 113.00 0.50 2.00 -- 76.22-167.00 34.00 52 10 \w 43.00 68.00 0.50 2.00 -- 76.22-116.00-179.00 50 11 \w 58.00 83.00 0.50 2.00 -- 76.22 167.00 54.00 50 12 \w 28.00 53.00 0.50 2.00 -- 63.42 -95.00-120.00 50 13 \w 44.00 69.00 0.50 2.00 -- 63.42 -95.00 -90.00 50 14 \w 33.00 72.00 0.50 2.00 -- 63.42 -95.00 30.00 78 15 \w 22.00 62.00 0.50 2.00 -- 63.42-125.00 120.00 80 16 \w -63.00 -37.00 0.50 2.00 -- -70.98 0.00 0.00 52 17 \w -72.00 -42.00 0.50 2.00 -- -70.98 0.00 150.00 60 18 \w -69.00 -35.00 0.50 2.00 -- -70.98 0.00-180.00 68 19 \w -68.00 -35.00 0.50 2.00 -- -70.98 0.00-120.00 66 20 \w 39.00 82.00 0.50 2.00 -- 75.74 -95.00 30.00 86 21 \w 38.00 63.00 0.50 2.00 -- 75.74 -95.00-180.00 50 22 \w 43.00 68.00 0.50 2.00 -- 75.74 -95.00 150.00 50 23 \w 98.00 123.00 0.50 2.00 -- 76.00 23.00 43.15 50 24 \w 38.00 63.00 0.50 2.00 -- 76.22 -95.00 90.00 50 25 \w 66.00 91.00 0.50 2.00 -- 76.22-125.00 150.00 50 26 \w 38.00 63.00 0.50 2.00 -- 76.22 -95.00 -60.00 50 27 \w 48.00 79.00 0.50 2.00 -- 76.22 -95.00 -90.00 62 28 \w 74.00 99.00 0.50 2.00 -- 76.22-125.00 30.00 50 29 \w 73.00 98.00 0.50 2.00 -- 76.22-125.00 60.00 50 30 \w -108.00 -80.00 0.50 2.00 -- -76.25 -86.00 -73.87 56 31 \w -97.00 -71.00 0.50 2.00 -- -76.25 118.00-131.70 52 32 \w -70.00 -45.00 0.50 2.00 -- -76.25 78.00 -64.87 50 33 \w -109.00 -82.00 0.50 2.00 -- -76.25 -82.00 -26.89 54 34 \w 46.00 78.00 0.50 2.00 -- 79.75 6.00 90.86 64 35 \w 62.00 87.00 0.50 2.00 -- 79.75 21.00 61.24 50 36 \w 66.00 93.00 0.50 2.00 -- 79.75 21.00 -90.79 54 37 \w 83.00 109.00 0.50 2.00 -- 79.75 1.00 -67.96 52 38 \w 73.00 125.00 0.50 2.00 -- 79.75 22.00-139.63 104 39 \w 43.00 74.00 0.50 2.00 -- 79.75 1.00 -67.96 62 40 \w 68.00 94.00 0.50 2.00 -- 79.75 16.00 176.08 52 41 \w 88.00 114.00 0.50 2.00 -- 79.75 4.00-136.35 52 42 \w 101.00 126.00 0.50 2.00 -- 79.75 19.00 5.04 50 43 \w 85.00 119.00 0.50 2.00 -- 79.75 2.00 -41.19 68 44 \w 53.00 79.00 0.50 2.00 -- 79.75 19.00 5.04 52 45 \w 88.00 116.00 0.50 2.00 -- 79.75 4.00 21.81 56 46 \w 89.00 121.00 0.50 2.00 -- 79.75 20.00 -74.32 64 47 \w 83.00 120.00 0.50 2.00 -- 79.75 22.00 179.32 74 48 \w 72.00 110.00 0.50 2.00 -- 79.75 22.00 -2.27 76 49 \w 87.00 116.00 0.50 2.00 -- 79.75 6.00 90.86 58 50 \w 59.00 86.00 0.50 2.00 -- 79.75 4.00 21.81 54 51 \w 95.00 123.00 0.50 2.00 -- 79.75 54.00-115.13 56 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy R, DW system, HyPix-Arc 150' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0939025000 _diffrn_orient_matrix_UB_12 -0.0325142000 _diffrn_orient_matrix_UB_13 0.0543017000 _diffrn_orient_matrix_UB_21 -0.0930516000 _diffrn_orient_matrix_UB_22 0.0499257000 _diffrn_orient_matrix_UB_23 -0.0426431000 _diffrn_orient_matrix_UB_31 -0.0211053000 _diffrn_orient_matrix_UB_32 -0.0754221000 _diffrn_orient_matrix_UB_33 -0.0516376000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0565 _diffrn_reflns_av_unetI/netI 0.0397 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.989 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 38532 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.983 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 75.776 _diffrn_reflns_theta_min 3.704 _diffrn_source 'Rotating-anode X-ray tube' _diffrn_source_type 'Rigaku (Cu) X-ray Source' _exptl_absorpt_coefficient_mu 5.538 _exptl_absorpt_correction_T_max 0.910 _exptl_absorpt_correction_T_min 0.574 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro 1.171.43.120a (Rigaku Oxford Diffraction, 2024) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear intense green' _exptl_crystal_density_diffrn 1.346 _exptl_crystal_description irregular _exptl_crystal_F_000 1392 _exptl_crystal_size_max 0.166 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.056 _refine_diff_density_max 1.458 _refine_diff_density_min -1.661 _refine_diff_density_rms 0.107 _refine_ls_abs_structure_details ; Flack x determined using 2227 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.037(7) _refine_ls_extinction_coef 0.00039(11) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2019/2 (Sheldrick 2019)' _refine_ls_goodness_of_fit_ref 1.065 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 368 _refine_ls_number_reflns 6742 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.065 _refine_ls_R_factor_all 0.0659 _refine_ls_R_factor_gt 0.0550 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0802P)^2^+4.6774P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1370 _refine_ls_wR_factor_ref 0.1448 _reflns_Friedel_coverage 0.777 _reflns_Friedel_fraction_full 0.999 _reflns_Friedel_fraction_max 0.975 _reflns_number_gt 5827 _reflns_number_total 6742 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc04278f2.cif _cod_data_source_block amd-r1392 _cod_depositor_comments 'Adding full bibliography for 1572161--1572166.cif.' _cod_database_code 1572166 _shelx_shelxl_version_number 2019/3 _chemical_oxdiff_formula 'C35 H45 N1 O1 Cl2 Ru1' _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. ; _shelx_estimated_absorpt_t_max 0.747 _shelx_estimated_absorpt_t_min 0.460 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2.a Ternary CH refined with riding coordinates: C18(H18), C19(H19), C33(H33) 2.b Secondary CH2 refined with riding coordinates: C12(H12A,H12B), C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B), C23(H23A, H23B), C24(H24A,H24B) 2.c Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C10(H10), C25(H25), C28(H28), C29(H29), C30(H30), C31(H31) 2.d Idealised Me refined as rotating group: C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C32(H32A,H32B, H32C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C) ; _shelx_res_file ; TITL AMD-R1392 in P2(1)2(1)2(1) amd-r1392.res created by SHELXL-2019/3 at 17:02:58 on 01-May-2024 CELL 1.54184 11.5043 16.034 17.8672 90 90 90 ZERR 4 0.0003 0.0004 0.0005 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM -X,0.5+Y,0.5-Z SYMM 0.5+X,0.5-Y,-Z SFAC C H N O Cl Ru UNIT 140 180 4 4 8 4 L.S. 10 PLAN 10 SIZE 0.166 0.12 0.056 TEMP -133 CONF BOND list 4 MORE -1 BOND $H fmap 2 53 acta REM REM REM WGHT 0.080200 4.677400 EXTI 0.000389 FVAR 2.79886 RU1 6 0.818723 0.431208 0.457862 11.00000 0.03667 0.03851 = 0.03831 -0.00211 0.00107 0.00504 CL1 5 0.839206 0.551303 0.385362 11.00000 0.05592 0.04676 = 0.04699 0.00532 0.01174 0.00557 CL2 5 0.861306 0.344687 0.559338 11.00000 0.05472 0.04834 = 0.04682 0.00628 0.00106 0.01736 O1 4 0.990047 0.387004 0.402901 11.00000 0.03248 0.05468 = 0.04581 -0.00952 0.00665 0.00541 N1 3 0.665623 0.508128 0.564723 11.00000 0.03301 0.03621 = 0.03455 0.00113 -0.00411 -0.00389 C1 1 0.408502 0.378330 0.301276 11.00000 0.03293 0.05988 = 0.04517 -0.00556 -0.00124 -0.00942 C2 1 0.355324 0.311571 0.261605 11.00000 0.04897 0.06785 = 0.04982 -0.00580 0.00615 -0.00896 AFIX 43 H2 2 0.347585 0.258145 0.284046 11.00000 -1.20000 AFIX 0 C3 1 0.315195 0.325725 0.190012 11.00000 0.04853 0.09476 = 0.04857 -0.00996 0.00497 -0.01289 AFIX 43 H3 2 0.283034 0.281235 0.161653 11.00000 -1.20000 AFIX 0 C4 1 0.322034 0.406304 0.159079 11.00000 0.04369 0.09623 = 0.04698 -0.00408 -0.00133 0.00012 AFIX 43 H4 2 0.290642 0.415991 0.110675 11.00000 -1.20000 AFIX 0 C5 1 0.371841 0.470024 0.196205 11.00000 0.04416 0.07600 = 0.03799 0.00157 0.00221 0.00317 AFIX 43 H5 2 0.375539 0.523611 0.173648 11.00000 -1.20000 AFIX 0 C6 1 0.419243 0.457617 0.269386 11.00000 0.03531 0.06529 = 0.03775 -0.00149 -0.00467 0.00490 C7 1 0.476746 0.521553 0.308728 11.00000 0.04802 0.05636 = 0.03977 0.00181 0.00206 0.01027 AFIX 43 H7 2 0.485685 0.575136 0.286779 11.00000 -1.20000 AFIX 0 C8 1 0.519882 0.505933 0.379129 11.00000 0.03597 0.04504 = 0.04388 0.00154 -0.00422 0.00769 AFIX 43 H8 2 0.560001 0.549221 0.404638 11.00000 -1.20000 AFIX 0 C9 1 0.506786 0.427910 0.414969 11.00000 0.03138 0.04088 = 0.03757 -0.00113 -0.00113 0.00245 C10 1 0.451134 0.364868 0.376202 11.00000 0.04145 0.05213 = 0.04459 -0.00173 -0.00146 -0.00793 AFIX 43 H10 2 0.440844 0.311978 0.399232 11.00000 -1.20000 AFIX 0 C11 1 0.553000 0.416358 0.494132 11.00000 0.04400 0.03444 = 0.03899 -0.00113 -0.00503 -0.00060 C12 1 0.472841 0.467946 0.548002 11.00000 0.04148 0.04996 = 0.03711 0.00371 -0.00253 -0.00839 AFIX 23 H12A 2 0.434591 0.514080 0.520622 11.00000 -1.20000 H12B 2 0.412143 0.431839 0.570200 11.00000 -1.20000 AFIX 0 C13 1 0.553655 0.502319 0.609091 11.00000 0.03066 0.04638 = 0.03407 0.00042 -0.00099 -0.00530 C14 1 0.671578 0.458790 0.506456 11.00000 0.05161 0.02976 = 0.03376 0.00432 -0.00807 0.00316 C15 1 0.559198 0.324376 0.517607 11.00000 0.05614 0.04417 = 0.04392 0.00040 -0.00314 -0.00786 AFIX 137 H15A 2 0.480505 0.301080 0.519619 11.00000 -1.50000 H15B 2 0.595440 0.320112 0.567097 11.00000 -1.50000 H15C 2 0.605606 0.293210 0.481092 11.00000 -1.50000 AFIX 0 C16 1 0.566220 0.441929 0.674785 11.00000 0.06084 0.04946 = 0.03772 0.00510 0.00197 -0.00492 AFIX 137 H16A 2 0.606416 0.391393 0.657995 11.00000 -1.50000 H16B 2 0.489002 0.427125 0.693756 11.00000 -1.50000 H16C 2 0.611300 0.468550 0.714726 11.00000 -1.50000 AFIX 0 C17 1 0.508953 0.585342 0.639694 11.00000 0.03396 0.04606 = 0.04631 -0.00327 0.00535 -0.00001 AFIX 137 H17A 2 0.558757 0.603599 0.681066 11.00000 -1.50000 H17B 2 0.429132 0.578325 0.657785 11.00000 -1.50000 H17C 2 0.510306 0.627341 0.599854 11.00000 -1.50000 AFIX 0 C18 1 0.769564 0.555620 0.590546 11.00000 0.02680 0.04198 = 0.04228 -0.00445 -0.00310 -0.00219 AFIX 13 H18 2 0.834087 0.540180 0.555696 11.00000 -1.20000 AFIX 0 C19 1 0.756197 0.650351 0.584487 11.00000 0.03373 0.03886 = 0.04146 -0.00293 -0.00186 -0.00279 AFIX 13 H19 2 0.712541 0.670052 0.629540 11.00000 -1.20000 AFIX 0 C20 1 0.692398 0.682484 0.514782 11.00000 0.03768 0.03992 = 0.04563 -0.00077 0.00365 -0.00415 AFIX 23 H20A 2 0.735573 0.665388 0.469373 11.00000 -1.20000 H20B 2 0.613991 0.657171 0.512457 11.00000 -1.20000 AFIX 0 C21 1 0.681257 0.776732 0.516224 11.00000 0.04737 0.04237 = 0.05222 0.00629 0.00348 0.00313 AFIX 23 H21A 2 0.640624 0.795738 0.470455 11.00000 -1.20000 H21B 2 0.634068 0.793638 0.560005 11.00000 -1.20000 AFIX 0 C22 1 0.799611 0.817952 0.520595 11.00000 0.05481 0.04129 = 0.07863 0.00389 0.00756 -0.00720 AFIX 23 H22A 2 0.842790 0.807001 0.473684 11.00000 -1.20000 H22B 2 0.789454 0.879031 0.525387 11.00000 -1.20000 AFIX 0 C23 1 0.868834 0.786467 0.585524 11.00000 0.04923 0.04320 = 0.08103 -0.00961 0.00192 -0.01077 AFIX 23 H23A 2 0.832148 0.805536 0.632634 11.00000 -1.20000 H23B 2 0.948082 0.810407 0.583294 11.00000 -1.20000 AFIX 0 C24 1 0.877398 0.690519 0.586238 11.00000 0.03374 0.05157 = 0.07474 -0.00595 -0.00240 -0.00924 AFIX 23 H24A 2 0.922607 0.671625 0.542246 11.00000 -1.20000 H24B 2 0.919054 0.672291 0.631880 11.00000 -1.20000 AFIX 0 C25 1 0.767083 0.358371 0.387036 11.00000 0.04087 0.04720 = 0.05211 0.00731 0.00667 0.01117 AFIX 43 H25 2 0.685993 0.348625 0.382094 11.00000 -1.20000 AFIX 0 C26 1 0.846734 0.315309 0.338424 11.00000 0.05008 0.03410 = 0.04110 -0.00264 0.00025 0.00791 C27 1 0.965352 0.331776 0.346352 11.00000 0.05432 0.04094 = 0.03417 -0.00172 0.00695 0.01650 C28 1 1.047832 0.293462 0.300751 11.00000 0.05664 0.04523 = 0.03928 0.00792 0.00435 0.01420 AFIX 43 H28 2 1.128337 0.305172 0.306201 11.00000 -1.20000 AFIX 0 C29 1 1.007937 0.236935 0.246443 11.00000 0.06774 0.04872 = 0.03541 0.00515 0.00838 0.01927 AFIX 43 H29 2 1.062462 0.210875 0.214076 11.00000 -1.20000 AFIX 0 C30 1 0.892860 0.218629 0.239127 11.00000 0.06588 0.03925 = 0.04096 -0.00377 -0.00066 0.00983 AFIX 43 H30 2 0.868170 0.178864 0.203059 11.00000 -1.20000 AFIX 0 C31 1 0.811905 0.258008 0.284283 11.00000 0.05698 0.04484 = 0.04672 0.00139 -0.00583 0.01202 AFIX 43 H31 2 0.731640 0.245801 0.278272 11.00000 -1.20000 AFIX 0 C32 1 0.809797 0.529497 0.668745 11.00000 0.04574 0.05763 = 0.04535 0.00026 -0.01488 0.00183 AFIX 137 H32A 2 0.756862 0.552744 0.706315 11.00000 -1.50000 H32B 2 0.888597 0.550506 0.677614 11.00000 -1.50000 H32C 2 0.809696 0.468511 0.672384 11.00000 -1.50000 AFIX 0 C33 1 1.110571 0.415823 0.413380 11.00000 0.04568 0.06055 = 0.05954 -0.00853 0.00590 0.00480 AFIX 13 H33 2 1.164591 0.367382 0.407641 11.00000 -1.20000 AFIX 0 C34 1 1.139770 0.480624 0.355734 11.00000 0.05307 0.06759 = 0.08091 -0.00520 0.01049 -0.00684 AFIX 137 H34A 2 1.141146 0.454823 0.306019 11.00000 -1.50000 H34B 2 1.216265 0.504529 0.366792 11.00000 -1.50000 H34C 2 1.080960 0.524827 0.356755 11.00000 -1.50000 AFIX 0 C35 1 1.117776 0.448211 0.492978 11.00000 0.04303 0.09844 = 0.07359 -0.01809 -0.00310 0.00242 AFIX 137 H35A 2 1.062713 0.494288 0.499438 11.00000 -1.50000 H35B 2 1.196822 0.468071 0.502997 11.00000 -1.50000 H35C 2 1.098449 0.403208 0.527943 11.00000 -1.50000 AFIX 0 HKLF 4 REM AMD-R1392 in P2(1)2(1)2(1) REM wR2 = 0.1448, GooF = S = 1.065, Restrained GooF = 1.065 for all data REM R1 = 0.0550 for 5827 Fo > 4sig(Fo) and 0.0659 for all 6742 data REM 368 parameters refined using 0 restraints END WGHT 0.0802 4.6703 REM Highest difference peak 1.458, deepest hole -1.661, 1-sigma level 0.107 Q1 1 0.8193 0.4344 0.4138 11.00000 0.05 1.46 Q2 1 0.8232 0.3601 0.4594 11.00000 0.05 1.04 Q3 1 0.8219 0.5008 0.4608 11.00000 0.05 0.96 Q4 1 0.8206 0.4374 0.5053 11.00000 0.05 0.90 Q5 1 0.8440 0.4277 0.5592 11.00000 0.05 0.69 Q6 1 0.8553 0.4809 0.3994 11.00000 0.05 0.65 Q7 1 0.8971 0.4233 0.5250 11.00000 0.05 0.56 Q8 1 0.8546 0.3556 0.5038 11.00000 0.05 0.53 Q9 1 0.8402 0.3283 0.5038 11.00000 0.05 0.48 Q10 1 0.8609 0.3832 0.4012 11.00000 0.05 0.47 ; _shelx_res_checksum 2973 _shelx_hkl_file ; 0 0 1 50.1825 64.4741 15 0 0 -1 80.1910 57.2795 15 0 0 -2 411654. 10612.8 31 0 0 -2 414352. 10606.3 15 0 0 -3 170.955 218.754 43 0 0 -3 46.1544 289.077 3 0 0 -3 53.0298 178.203 15 0 0 -3 156.650 264.921 33 0 0 -3 69.2158 244.031 31 0 0 -3 118.095 213.428 24 0 0 -4 2992.99 304.710 43 0 0 -4 2598.29 379.557 3 0 0 -4 3179.24 247.616 15 0 0 -4 2542.99 335.410 33 0 0 -4 3344.50 303.792 24 0 0 -5-132.074 327.651 43 0 0 -5 120.021 399.293 3 0 0 -5 46.2385 266.684 15 0 0 -5-191.804 370.957 33 0 0 -5 130.959 325.587 24 0 0 -6 2918.89 376.736 43 0 0 -6 2808.02 463.047 3 0 0 -6 3343.67 305.573 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450.568 22 -4 -3 -17 1094.64 498.066 8 -4 -3 -17 610.889 468.531 10 4 3 -17 335.908 754.431 4 4 3 -17-35.0294 740.758 7 -4 -3 -17 1301.30 483.810 2 4 3 -17 906.539 825.659 19 4 -3 16 5212.86 895.855 40 4 3 -16 4114.46 784.444 45 4 3 -16 5601.76 931.527 19 -4 -3 -16 5305.87 588.332 10 -4 -3 -16 5886.60 627.916 8 -4 -3 -16 5406.78 585.421 2 4 3 -16 5045.29 852.216 7 -4 -3 -16 3590.80 796.351 4 -4 -3 -15 2793.59 647.659 24 4 3 -15 2238.04 745.537 42 4 3 -15 1969.32 738.565 45 4 3 -15 1292.41 931.245 19 -4 3 15 2096.17 739.523 38 -4 -3 -15 2574.13 540.230 10 4 3 -15 2614.29 850.145 7 4 3 -14 13954.8 922.858 42 4 3 -14 12442.2 932.038 45 -4 -3 -14 15061.4 777.702 10 -4 -3 -14 14991.3 852.382 24 -4 -3 -14 15596.4 797.520 2 4 3 -14 13451.7 1059.01 7 -4 -3 -14 12077.5 973.379 4 4 3 -13 6093.42 787.395 45 4 3 -13 7418.13 777.169 42 -4 -3 -13 6421.68 833.201 4 -4 -3 -13 7966.37 628.516 2 4 3 -13 6391.16 876.659 7 -4 -3 -13 7826.71 610.167 10 -4 -3 -13 7955.20 686.299 24 4 3 -12 13606.9 860.124 48 4 3 -12 12647.3 865.549 45 -4 -3 -12 12403.6 704.709 15 -4 -3 -12 12383.9 742.909 24 -4 -3 -12 12282.0 679.702 10 -4 -3 -12 11178.8 681.098 2 4 3 -12 11896.5 898.021 7 -4 -3 -12 10528.2 876.102 4 -4 -3 -11 1500.70 456.978 10 -4 -3 -11 550.634 668.068 4 -4 -3 -11 771.108 467.428 2 4 3 -11 1784.91 692.338 3 4 3 -11 1941.05 672.723 7 4 3 -11 2872.10 661.752 48 -4 -3 -11 835.817 481.507 15 -4 -3 -11 941.072 623.840 29 -4 -3 -11 400.449 503.236 24 -4 -3 -10 59675.6 1804.31 10 4 3 -10 58290.8 1880.58 48 -4 -3 -10 59683.1 1810.87 15 -4 -3 -10 59294.1 1806.42 2 4 3 -10 59335.9 1901.68 3 4 3 -10 54044.5 1915.14 7 -4 -3 -10 57774.6 1938.98 4 -4 -3 -10 59593.1 1897.21 29 -4 -3 -10 54931.6 1914.87 20 -4 -3 -9 6135.96 526.293 2 4 3 -9 6122.46 664.004 3 -4 -3 -9 6722.19 694.027 4 -4 -3 -9 5975.98 516.673 15 -4 3 9 5564.55 612.010 47 4 3 -9 6589.18 645.852 48 -4 -3 -9 6618.89 693.156 20 -4 3 8 33204.1 1254.46 47 -4 3 8 37802.7 1345.19 41 -4 -3 -8 39664.0 1228.31 2 4 3 -8 32714.3 1272.63 3 -4 -3 -8 40598.0 1355.01 4 -4 -3 -8 37377.7 1228.57 15 -4 -3 -8 39427.5 1361.05 20 -4 -3 -8 38962.7 1221.21 10 -4 -3 -8 38923.6 1356.76 14 -4 -3 -7 2490.67 570.779 4 4 3 -7 2943.80 527.952 3 -4 -3 -7 3189.63 442.012 2 4 3 -7 3056.65 537.034 48 -4 3 7 2496.13 616.366 41 -4 -3 -7 3566.32 439.696 15 -4 -3 -7 3651.92 529.840 28 -4 -3 -7 3739.09 429.536 10 -4 -3 -7 3682.50 603.333 14 4 3 -6 3185.37 502.164 48 4 -3 6 1424.45 481.759 49 -4 3 6 3548.35 599.169 41 -4 -3 -6 2611.70 408.896 15 -4 -3 -6 1291.84 328.279 18 -4 -3 -6 1500.17 571.722 20 -4 3 6 3350.14 555.747 38 -4 -3 -6 1746.15 346.042 37 -4 -3 -6 1254.43 480.944 28 -4 -3 -6 1585.20 547.773 14 -4 -3 -6 2607.95 388.288 10 -4 -3 -5 26283.0 971.581 4 -4 -3 -5 26898.6 892.118 2 4 -3 5 24670.3 970.505 49 4 3 -5 27328.7 955.492 48 -4 3 5 29365.6 1019.48 41 -4 -3 -5 27430.6 886.499 18 -4 -3 -5 26950.4 916.695 15 -4 3 5 28580.8 986.413 17 -4 3 5 28444.5 1016.23 38 -4 -3 -5 26517.6 881.723 10 -4 -3 -5 26962.0 884.641 8 -4 -3 -5 25534.2 1018.50 14 -4 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934.681 8 4 -3 -5 27999.6 928.176 2 4 3 5 29583.5 996.079 49 -4 -3 5 26727.5 1003.86 47 -4 3 -5 26202.2 954.005 51 4 3 5 29050.2 959.572 16 -4 3 -5 27291.4 1022.62 37 4 -3 -5 29064.4 1013.29 35 4 -3 -5 28858.0 1045.11 34 -4 3 -5 28853.6 990.344 30 4 3 5 26564.9 946.133 23 4 -3 -5 29114.6 996.362 23 4 -3 -6 2296.98 384.113 10 -4 -3 6 2446.77 499.356 47 4 3 6 1370.55 445.284 49 -4 3 -6 1770.47 388.299 51 -4 3 -6 1425.41 504.744 46 4 -3 -6 2757.84 511.370 35 -4 3 -6 1222.64 498.905 37 -4 3 -6 1202.83 447.990 30 4 -3 -6 2190.89 563.918 34 4 -3 -6 2174.37 464.196 23 4 -3 -6 2226.91 404.539 22 4 -3 -7 1781.38 404.428 10 -4 3 -7 3093.46 421.618 51 -4 -3 7 2504.30 528.873 47 -4 3 -7 3109.60 540.378 46 -4 3 -7 3467.37 554.607 37 4 -3 -7 964.975 579.996 34 4 -3 -7 1960.19 529.117 4 -4 3 -7 3606.49 504.653 3 4 -3 -7 1834.23 417.355 2 4 -3 -7 1670.43 405.916 22 4 -3 -7 1148.75 438.248 23 4 -3 -8 31899.4 1115.51 2 4 -3 -8 31440.9 1227.64 4 4 -3 -8 30883.1 1107.08 10 -4 -3 9 7247.21 661.286 47 4 -3 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4 -4 -3 19 460.885 694.504 41 -4 -3 19-85.8113 683.903 47 4 -3 -19 1165.20 462.137 8 4 -3 -19 537.330 499.198 21 4 -3 -20 3281.85 423.397 8 4 -3 -20 3308.48 504.677 21 -4 -3 20 2736.88 753.957 38 -4 3 -21 672.213 336.360 22 -4 -3 21-260.223 580.734 38 4 -4 20 6476.31 695.923 47 -4 -4 -20 6756.44 446.588 22 -4 -4 -20 6722.58 477.890 25 -4 -4 -19-119.470 405.035 25 -4 -4 -19 109.029 394.536 22 4 -4 19 233.086 633.238 40 4 4 -19 452.729 410.980 10 4 4 -19 416.521 422.077 2 -4 -4 -18 10730.9 622.052 25 -4 -4 -18 11538.8 608.406 22 4 4 -18 8458.58 909.376 19 4 -4 18 10866.3 901.961 40 -4 -4 -18 10798.8 649.418 8 4 4 -18 5245.79 836.793 4 4 4 -18 7412.39 854.751 7 -4 -4 -17 387.455 474.411 25 -4 -4 -17 109.871 446.383 22 4 4 -17-527.303 821.771 19 4 4 -17 638.401 684.251 45 -4 -4 -17-359.028 494.622 8 4 4 -17 391.141 732.760 7 -4 -4 -17-29.2614 497.043 2 -4 -4 -16 6215.49 609.038 22 4 4 -16 4663.44 907.182 19 4 -4 16 6995.24 949.874 40 4 4 -16 4250.09 796.641 45 -4 -4 -16 5434.70 598.595 10 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869.574 42 -6 -3 -13 7614.64 724.657 24 -6 3 12 14437.8 966.761 38 -6 -3 -12 14735.7 807.975 15 6 3 -12 12937.4 981.068 42 6 3 -12 13137.2 1032.44 45 -6 -3 -12 14736.2 831.259 24 6 3 -11 6159.00 869.357 45 6 3 -11 5931.97 849.391 42 -6 3 11 6927.45 814.776 41 -6 -3 -11 6037.59 786.976 20 -6 -3 -11 6131.66 617.791 15 -6 3 11 6837.92 796.809 38 -6 3 10 16008.9 953.934 38 -6 -3 -10 15325.7 785.181 15 6 3 -10 15139.0 1010.99 42 -6 3 10 17070.5 979.542 41 6 3 -10 15422.7 993.193 45 -6 -3 -10 14704.2 919.791 20 6 3 -9 20883.2 1097.49 42 -6 3 9 22002.2 1084.71 41 6 3 -9 20135.5 1080.98 45 -6 -3 -9 21989.4 913.977 15 -6 3 9 20005.2 1039.97 38 -6 -3 -9 20131.8 1023.13 14 -6 -3 -9 21461.6 1033.86 20 -6 3 8-83.3235 660.786 38 -6 -3 -8 176.806 466.825 15 -6 -3 -8 376.299 627.963 20 -6 -3 -8 33.6024 615.683 14 6 3 -8 551.679 657.416 45 6 3 -8 575.814 686.937 42 -6 3 8 232.017 713.559 41 6 -3 7 8663.58 684.801 49 6 3 -7 6506.68 745.002 42 6 3 -7 5717.48 729.018 45 -6 3 7 6034.59 756.216 41 -6 3 7 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8540.33 664.744 46 -6 3 -7 9013.42 755.089 18 -6 -3 7 5744.27 695.003 38 -6 3 -7 8584.57 678.559 37 6 -3 -7 5022.02 728.947 34 -6 3 -7 9886.48 637.438 30 6 -3 -7 5182.67 568.078 21 6 -3 -7 5059.90 600.438 23 -6 -3 8 536.845 610.165 47 -6 3 -8 43.6032 457.030 51 -6 3 -8 656.481 581.995 46 -6 3 -8 306.593 581.638 37 -6 3 -8 284.452 633.426 18 -6 3 -8-89.3084 520.817 30 6 -3 -8-231.921 677.655 34 6 -3 -8-138.217 520.163 23 6 -3 -8 6.56632 509.240 21 -6 -3 9 17966.7 979.669 47 -6 3 -9 21598.6 963.901 46 6 -3 -9 18629.2 908.251 21 -6 3 -9 20458.6 996.407 37 6 -3 -9 18473.9 997.650 34 -6 3 -10 14107.4 853.909 46 -6 -3 10 15586.6 935.970 47 6 -3 -10 14353.1 838.130 21 -6 3 -10 13915.5 932.347 18 -6 3 -10 17471.7 845.782 15 -6 3 -11 4953.77 730.862 43 -6 3 -11 5293.63 670.985 46 -6 -3 11 6408.13 776.096 47 6 -3 -11 6547.36 695.833 21 -6 3 -11 5996.44 636.264 15 -6 3 -11 5306.43 769.009 18 -6 3 -12 9533.28 842.083 43 -6 -3 12 10475.5 906.153 47 6 -3 -12 11431.0 808.415 21 -6 3 -12 9758.09 864.429 18 -6 3 -12 12209.1 742.206 15 -6 3 -13 5300.38 748.404 43 -6 3 -13 6244.41 786.759 18 -6 -3 13 8424.51 876.006 47 6 -3 -13 7191.92 751.805 21 -6 -3 14 17490.5 1101.10 47 6 -3 -14 18342.4 986.795 21 -6 -3 15 4167.23 873.324 47 -6 -3 15 5871.09 923.855 38 6 -3 -16 2721.53 601.921 21 -6 -3 16 4286.51 872.333 41 -6 -3 17 3379.72 796.738 38 6 -3 -17 3391.33 575.879 21 -6 -3 17 3334.36 813.982 41 -6 -3 18-265.288 719.544 38 6 -3 -18 302.082 472.335 21 -6 -3 18-525.406 722.429 41 6 -3 -19 693.579 433.551 21 -6 -3 19 1157.78 691.564 38 -6 -3 20 399.182 563.277 38 -6 -4 -19 7378.39 456.372 25 6 4 -19 6944.69 528.329 21 6 -4 19 5660.53 612.206 40 -6 -4 -18 1723.93 413.439 25 6 -4 18 1603.51 656.045 40 6 4 -17 3969.75 835.243 19 -6 -4 -17 5961.30 504.269 25 6 -4 17 5329.57 774.444 40 6 4 -16 3152.76 864.419 19 6 4 -16 2549.24 716.603 45 6 -4 15 3999.95 747.081 16 6 4 -15 3571.90 837.190 45 -6 -4 -14-538.453 612.450 24 6 4 -14 630.431 747.960 42 6 4 -14 579.417 818.839 45 -6 4 13 3587.55 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7 68327.2 1941.87 41 6 4 -7 56447.7 1876.42 45 -6 -4 -7 54396.1 1760.88 15 -6 4 7 53755.8 1878.45 17 -6 4 7 65298.3 1922.62 38 -6 -4 -7 50564.5 1869.62 14 -6 -4 -7 50859.2 1871.45 20 6 -4 6 13863.8 770.121 49 6 4 -6 12995.8 828.316 42 -6 4 6 15893.5 912.136 41 6 4 -6 12189.8 833.966 45 -6 4 6 13018.8 809.678 17 -6 -4 -6 13815.4 686.545 15 -6 4 6 13822.8 811.333 39 -6 4 6 15768.5 883.583 38 -6 -4 -6 12687.9 824.543 14 -6 -4 -6 13691.3 852.323 20 6 -4 5 50987.2 1611.96 49 6 4 -5 46914.4 1620.08 42 6 4 -5 48723.7 1641.47 45 -6 4 5 50089.6 1656.07 38 -6 -4 -5 45611.9 1646.70 14 -6 -4 -5 48302.2 1655.48 20 -6 -4 -5 47902.3 1530.41 15 -6 4 5 43994.5 1631.10 17 -6 4 4 2395.34 574.823 17 -6 -4 -4 3596.39 478.601 15 6 -4 4 4490.25 664.695 16 6 -4 4 4518.84 536.268 49 -6 -4 -4 3440.14 679.473 14 -6 -4 -3 46394.5 1531.93 39 -6 -4 -3 44723.9 1439.42 15 -6 -4 -3 51300.2 1467.48 17 6 -4 3 49215.7 1585.66 16 -6 -4 -2 13395.2 747.097 39 -6 -4 -2 13625.2 821.786 38 -6 -4 -2 12913.1 612.076 15 -6 -4 -2 14774.2 639.422 17 6 -4 2 12385.3 778.002 16 -6 4 2 9520.36 773.007 18 6 4 -2 9707.59 753.130 42 6 4 -2 9237.52 790.184 45 -6 4 1 732.057 606.570 38 -6 -4 -1 329.612 643.025 38 -6 -4 -1 1102.46 412.151 17 -6 4 1 561.199 613.898 18 -6 -4 -1 579.089 411.781 15 6 -4 1 1384.62 589.562 16 6 4 -1 16.3592 602.793 42 -6 -4 -1 436.305 685.493 41 -6 -4 0 6398.80 715.992 38 6 4 0 5858.73 682.789 35 6 4 0 6098.53 710.358 34 -6 4 0 6334.80 684.536 38 -6 -4 0 6536.20 489.557 15 6 -4 0 6903.88 669.588 16 -6 4 0 6225.17 680.257 18 -6 -4 0 6822.74 526.803 17 -6 4 0 6106.28 570.799 30 -6 -4 0 6282.84 731.295 41 6 4 0 6633.44 664.459 42 -6 -4 1 629.830 628.331 38 6 4 1 1298.81 653.052 35 -6 -4 1-319.758 435.973 17 -6 4 -1 876.669 589.921 18 6 4 1 617.864 648.172 34 6 -4 -1-39.9090 371.844 32 -6 4 -1 476.451 501.944 30 -6 -4 1 309.426 629.573 41 -6 -4 2 9795.05 750.228 38 6 4 2 12753.9 821.917 34 6 4 2 13334.4 793.999 35 -6 4 -2 11211.4 739.239 18 -6 -4 2 8203.20 591.280 17 6 -4 -2 7130.68 529.902 32 -6 4 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1514.78 621.576 46 -6 4 -8 1904.55 566.005 30 6 -4 -8 1110.32 533.088 21 -6 -4 9 9561.61 815.452 47 -6 4 -9 10475.1 771.445 46 -6 4 -9 8176.93 762.031 37 -6 4 -9 9656.42 723.001 30 6 -4 -9 9714.20 710.521 21 -6 4 -10 3385.79 668.453 46 -6 -4 10 3401.89 723.840 47 6 -4 -10 4280.88 628.629 21 -6 4 -11 3250.36 710.487 43 -6 -4 11 1849.81 746.437 47 -6 4 -11 2602.15 666.854 46 6 -4 -11 1923.68 631.171 21 -6 4 -11 3523.45 614.327 15 -6 4 -12 1324.54 700.293 43 -6 -4 12 3372.16 792.626 47 6 -4 -12 4285.96 670.510 21 -6 4 -12 1359.42 719.648 18 -6 4 -12 3118.97 589.397 15 -6 4 -13 2917.31 730.800 43 -6 -4 13 5342.26 851.229 47 6 -4 -13 4913.99 708.764 21 -6 4 -13 4104.91 768.392 18 -6 4 -14-322.296 687.736 43 -6 -4 14 234.420 787.719 47 6 -4 -14 595.676 641.391 21 -6 -4 15 3155.22 866.790 47 -6 4 -15 3351.11 683.562 18 -6 -4 15 5324.00 899.854 38 -6 -4 16 3401.38 790.385 47 6 -4 -16 4548.97 632.891 21 -6 -4 16 4890.50 831.898 38 -6 -4 17 4152.62 806.523 38 6 -4 -17 5043.05 595.154 21 -6 -4 17 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888.297 35 -8 7 1 1728.41 683.431 30 8 7 -1 2325.12 849.093 34 8 -7 1 2947.93 636.842 49 -8 7 1 2036.18 603.423 36 8 7 -1 3032.36 859.593 35 -8 7 0 2053.70 696.363 18 -8 7 0 1569.70 699.265 30 8 7 0 1873.29 829.405 34 8 -7 0 2418.29 615.732 49 -8 7 0 2715.18 579.642 36 8 7 0 1466.94 857.208 35 -8 7 -1 3260.52 729.042 18 -8 7 -1 2775.56 642.881 37 -8 7 -1 2630.22 558.714 36 8 7 1 3057.84 873.469 35 -8 7 -1 3842.58 708.067 30 8 -7 -1 2461.32 637.254 49 -8 -7 2 5317.70 856.670 41 -8 7 -2 10294.3 818.241 18 -8 7 -2 10436.9 783.484 37 8 7 2 9508.32 948.563 35 -8 7 -2 10046.5 815.085 30 8 -7 -2 6031.24 727.985 49 -8 -7 3 6376.50 854.645 41 -8 7 -3 6737.98 793.680 18 -8 7 -3 6705.56 725.292 37 -8 7 -3 7343.68 777.012 30 8 -7 -3 5496.75 691.868 49 -8 7 -3 6658.97 645.236 51 -8 -7 4 9503.35 923.265 41 -8 7 -4 13751.7 908.338 18 -8 7 -4 13135.3 853.586 37 -8 7 -4 14419.8 910.703 30 8 -7 -4 8189.70 778.369 49 -8 7 -4 12695.7 779.692 51 -8 -7 5 2172.07 804.994 41 -8 7 -5 1864.38 607.921 46 -8 7 -5 1712.16 671.433 18 -8 -7 5 1352.06 743.705 38 -8 7 -5 1862.05 627.055 37 -8 7 -5 1985.87 706.716 30 -8 7 -5 2003.55 564.323 51 -8 -7 6 13932.0 1037.49 41 -8 7 -6 13163.3 929.468 18 -8 -7 6 13521.3 963.776 38 -8 7 -6 13558.5 896.256 37 -8 7 -6 13757.9 920.319 30 -8 7 -6 13569.3 847.278 46 -8 7 -6 14094.2 852.516 51 -8 -7 7 1682.76 853.059 41 -8 7 -7 153.481 612.232 46 -8 7 -7 774.780 687.378 18 -8 -7 7 1757.53 781.047 38 -8 7 -7 1186.18 647.283 37 -8 7 -7 1154.19 698.119 30 -8 7 -7 1583.47 601.786 51 -8 -7 8 22123.8 1235.11 41 -8 7 -8 20561.1 1100.55 18 -8 7 -8 21307.8 1114.34 30 -8 7 -8 21218.3 1039.97 46 -8 7 -8 21756.5 1086.02 51 -8 -7 8 22091.9 1180.52 38 -8 -7 9 2930.83 837.789 38 -8 7 -9 2281.02 713.558 30 -8 -7 9 1435.96 891.414 41 -8 7 -9 1227.25 650.458 46 -8 7 -9 957.010 660.527 43 -8 7 -10 13467.6 905.969 43 -8 -7 10 16618.6 1145.83 41 -8 7 -10 12916.4 894.576 18 -8 7 -10 15031.1 874.974 15 -8 -7 10 16428.9 1101.35 38 -8 7 -10 13812.9 900.787 46 8 -7 -10 15317.8 1017.42 12 -8 7 -11 1346.23 611.808 18 -8 7 -11 2383.30 569.099 15 -8 -7 11 1838.05 904.137 41 -8 7 -11 1903.75 665.561 43 8 -7 -11 2394.40 756.661 12 -8 -7 12 1540.10 780.565 38 -8 7 -12-18.2128 588.601 18 -8 7 -12 867.289 587.670 43 8 -7 -12 1127.14 716.255 12 -8 -7 13 829.991 748.035 38 -8 7 -13 584.582 548.101 18 -8 -7 13 456.256 751.431 41 -8 7 -13-64.2963 555.329 43 8 -7 -13-172.842 649.840 12 -8 -7 14 2297.27 752.606 38 -8 7 -14 3244.44 562.814 18 -8 -7 14 2874.80 735.076 41 -8 7 -14 3298.80 602.963 43 8 -7 -14 2293.62 593.804 12 -8 -7 15 1364.22 670.697 38 -8 7 -15 1479.03 487.608 18 -8 -7 15 619.800 669.455 41 -8 -7 16 2714.09 633.197 41 -8 -7 16 3687.84 630.890 38 8 -8 16-4.61257 443.407 40 8 8 -16 162.266 547.772 34 8 8 -15 1016.46 637.191 19 8 -8 15 662.388 461.628 16 8 8 -15-273.951 648.337 34 8 -8 15 191.719 512.439 40 8 8 -14 4443.38 748.043 35 8 8 -14 5728.62 770.778 19 8 -8 14 6012.34 605.073 16 8 8 -14 3779.96 762.587 34 8 8 -13 2350.28 775.771 35 8 8 -13 1470.47 780.519 34 8 8 -13 2635.51 805.741 19 8 -8 13 2049.64 568.962 16 8 8 -12 6314.35 913.704 35 8 -8 12 7014.07 700.109 16 -8 -8 -12 8155.45 627.215 24 8 8 -12 6742.83 839.859 42 -8 -8 -11 3784.25 742.493 20 8 -8 11 3756.43 646.454 16 -8 -8 -11 3003.55 557.466 24 8 8 -10 6070.23 1003.24 35 8 -8 10 8729.34 778.654 16 -8 -8 -10 9833.90 872.929 29 8 8 -10 6510.28 956.480 42 -8 -8 -9 1688.03 590.740 24 8 8 -9 1485.38 864.944 42 -8 -8 -9 1393.24 814.760 20 8 -8 9 1740.12 670.931 16 -8 8 9 1774.03 702.877 36 -8 -8 -9 669.354 802.762 29 -8 -8 -9 1650.56 705.455 14 8 8 -8 3862.27 868.695 42 -8 -8 -8 3972.07 869.629 20 -8 8 8 2906.66 742.967 36 -8 -8 -8 3920.74 611.086 24 -8 -8 -8 3672.68 779.357 14 -8 8 7 625.255 677.602 36 8 -8 7 229.247 702.118 16 -8 -8 -7 591.058 793.563 20 -8 -8 -7 1210.11 565.409 24 8 8 -7-463.432 815.368 42 -8 8 6 3442.16 730.280 36 8 -8 6 1741.58 718.474 16 -8 -8 -6 1531.46 780.497 20 -8 -8 -6 1601.55 553.079 24 8 8 -6 2198.72 812.143 42 8 8 -5 235.398 777.345 42 8 -8 5 988.524 690.631 16 -8 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637.867 579.395 34 8 -9 15 277.412 459.845 40 8 9 -14 689.383 675.212 35 8 9 -14 1344.75 672.703 19 8 -9 14 2427.39 507.985 16 8 9 -14 1319.98 668.627 34 8 -9 14 1698.66 540.403 40 8 9 -13 1904.84 761.723 35 8 9 -13 1487.45 741.883 34 8 9 -13 3610.61 774.175 19 8 -9 13 3063.59 556.706 16 8 9 -12 728.148 797.591 35 8 9 -12 199.410 801.124 19 8 -9 12 1432.36 558.658 16 8 9 -12 1185.17 757.727 34 8 9 -12-226.072 720.229 42 8 9 -11 7743.60 892.854 42 8 9 -11 6892.95 962.110 35 -8 -9 -11 9529.82 800.985 29 -8 -9 -11 7837.35 813.391 20 8 -9 11 9559.38 741.857 16 -8 -9 -10 449.769 704.232 29 -8 -9 -10 687.814 660.931 20 8 -9 10 9.07651 596.840 16 -8 -9 -10 762.032 507.633 24 8 -9 9 10255.5 791.029 16 -8 -9 -9 8725.95 672.584 24 -8 -9 -9 8745.91 852.296 14 -8 9 8 1045.43 626.596 36 -8 -9 -8 1370.46 797.747 20 8 -9 8 1516.61 638.935 16 8 9 -8 1313.94 837.984 42 -8 -9 -8 1266.96 717.842 14 -8 9 7 468.417 610.933 36 -8 -9 -7 244.517 781.434 20 8 9 -7 871.051 811.415 42 -8 -9 -7 711.062 699.785 14 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37 -8 9 -1 18709.2 1031.51 18 -8 9 -1 17254.4 1067.21 30 8 -9 -1 19090.9 1127.37 12 8 -9 -2 11809.2 825.503 49 -8 9 -2 14172.0 812.620 51 -8 9 -2 14130.9 877.982 37 -8 9 -2 14037.1 915.923 18 -8 9 -2 13124.8 930.340 30 -8 9 -3 9028.98 822.567 18 -8 9 -3 7486.15 816.522 30 -8 9 -3 7643.33 717.876 46 -8 9 -3 7992.05 676.516 51 -8 9 -3 7695.52 777.254 37 -8 9 -4 25285.6 1152.70 18 -8 9 -4 22901.1 1110.26 37 -8 9 -4 19736.8 1107.84 30 -8 9 -4 24444.0 1068.50 51 -8 9 -4 21388.6 1035.45 46 -8 9 -5 1201.30 624.693 46 -8 -9 5 1009.46 769.352 41 -8 9 -5 2314.48 698.444 18 -8 9 -5 1571.61 659.957 37 -8 9 -5 1778.98 723.962 30 -8 9 -5 864.703 555.534 51 -8 9 -6 6907.77 706.061 46 -8 9 -6 6839.96 683.079 51 -8 9 -6 6093.28 789.130 30 8 -9 -6 5802.85 854.672 12 -8 -9 6 4973.52 848.750 41 -8 9 -7 626.590 565.406 51 -8 -9 7 29.4151 815.283 41 -8 9 -7 736.439 609.021 46 -8 9 -7 883.896 689.138 30 8 -9 -7 427.687 742.012 12 -8 9 -8 1418.20 626.489 18 -8 -9 8 480.147 851.952 41 -8 9 -8 1884.57 629.075 46 -8 9 -8 1887.30 656.338 43 8 -9 -8 1310.34 750.835 12 -8 9 -9 10714.0 792.463 46 -8 9 -9 9835.33 770.502 18 -8 9 -9 11662.6 826.768 43 -8 9 -9 10666.4 815.029 30 8 -9 -10 1161.76 701.657 12 -8 -9 10 203.954 799.385 41 -8 9 -10 35.8052 547.421 18 8 -9 -11 7097.92 786.893 12 -8 9 -11 7887.84 694.818 43 -8 -9 11 8598.51 907.915 41 -8 9 -11 8543.50 691.709 18 8 -9 -12 867.582 635.462 12 -8 -9 12 1153.00 746.315 41 -8 9 -12 1721.20 542.321 43 -8 9 -12 1636.00 524.237 18 8 -9 -13 3427.34 612.914 12 -8 9 -13 3089.64 527.084 18 -8 -9 13 2322.08 737.658 41 -8 9 -13 2199.58 544.457 43 -8 9 -14 2501.08 479.897 18 -8 9 -14 2333.20 505.449 43 -8 -9 14 1526.80 654.587 41 -8 -9 15 1115.01 583.926 41 -8 9 -15 387.882 488.130 50 8 10 -14 429.964 612.579 35 8 -10 14 145.458 425.206 16 8 10 -14 605.534 621.149 19 8 10 -14 1189.54 587.985 34 8 -10 14 1284.71 453.588 40 8 10 -13 805.274 710.368 35 8 10 -13 2175.39 720.855 19 8 -10 13 2682.10 509.071 16 8 10 -13 1719.02 669.360 34 8 -10 13 3788.82 544.857 40 8 10 -12 1749.30 777.000 35 8 10 -12 866.506 710.149 34 8 10 -12 1725.17 764.127 19 8 -10 12 779.352 512.112 16 8 10 -11 1730.01 819.874 35 8 10 -11 4364.66 848.419 19 8 -10 11 2969.39 586.696 16 -8 -10 -11 4459.51 669.178 29 8 10 -11 3658.21 779.083 34 8 10 -11 3418.18 755.043 42 8 10 -10 453.303 806.946 35 -8 -10 -10 1702.33 669.896 29 8 10 -10 1391.52 743.233 42 8 10 -10 885.676 876.600 19 8 -10 10 613.919 575.066 16 -8 -10 -10 573.772 656.733 20 -8 -10 -9 4743.88 751.694 29 8 10 -9 4263.63 781.990 42 -8 -10 -9 4772.22 737.787 20 8 -10 9 4076.91 655.590 16 8 -10 8 247.265 608.507 16 -8 -10 -8 211.480 695.305 29 -8 -10 -8 1132.50 668.615 14 8 10 -7 12861.9 1095.27 34 8 -10 7 16760.4 931.768 16 8 10 -7 14593.7 1051.98 42 -8 -10 -7 17420.9 994.948 14 8 10 -6 3042.00 832.176 42 8 -10 6 2903.78 652.608 16 -8 -10 -6 3477.02 806.933 20 8 10 -6 2125.85 891.263 35 -8 10 6 2750.09 597.865 36 8 10 -6 2296.30 870.413 34 -8 -10 -6 2584.75 716.023 14 -8 -10 -5 11312.3 919.654 20 8 10 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2599.88 488.690 18 -8 10 -13 2980.93 515.418 43 -8 -10 13 2699.65 671.843 41 -8 10 -14 231.758 402.997 18 -8 -10 14 636.441 581.884 41 8 11 -13 1339.90 637.096 35 8 -11 13 2018.63 452.520 16 8 11 -13 1394.02 605.078 34 8 -11 13 3034.41 480.876 40 8 11 -12 618.813 700.979 35 8 11 -12 1500.22 691.897 19 8 -11 12 49.4928 464.744 16 8 11 -12 400.479 641.472 34 8 -11 12 690.887 486.941 40 8 11 -11 5165.43 823.014 35 8 11 -11 5011.13 729.689 34 8 -11 11 7520.54 615.219 16 8 11 -11 7701.28 820.254 19 8 11 -10 1731.25 762.408 35 8 11 -10 1239.12 786.804 19 -8 -11 -10 1493.43 612.412 20 8 -11 10 537.083 534.600 16 -8 -11 -10 2004.96 620.023 29 8 11 -10 459.547 677.163 34 8 11 -10 469.387 672.953 42 8 11 -9 2918.01 810.423 35 -8 -11 -9 4161.33 667.274 20 8 11 -9 3135.68 819.462 19 8 -11 9 5060.16 630.170 16 -8 -11 -9 3871.98 668.789 29 8 11 -9 1868.80 751.317 34 8 11 -9 2898.77 722.028 42 8 11 -8 2015.75 746.555 42 8 11 -8 3010.45 810.917 19 -8 -11 -8 3546.12 686.144 20 8 -11 8 4420.44 633.633 16 8 11 -8 2808.11 812.107 35 -8 -11 -8 4029.37 692.588 29 8 11 -8 2089.59 763.550 34 -8 -11 -8 3717.96 677.813 14 8 11 -7 210.281 716.436 42 -8 -11 -7-168.705 648.559 20 8 -11 7 509.160 599.225 16 -8 -11 -7 754.608 633.189 14 -8 -11 -7 298.662 647.134 28 8 11 -7 1280.54 739.943 34 -8 -11 -7 1977.07 674.147 29 8 -11 6-458.503 616.566 16 -8 -11 -6 826.647 662.506 28 -8 -11 -6 804.777 643.584 14 8 -11 5 888.971 611.054 16 -8 -11 -5 686.865 653.602 14 8 11 -5 924.248 905.055 35 8 -11 4 755.287 603.944 16 -8 -11 -4 546.167 731.311 20 -8 -11 -4 115.721 649.887 14 8 11 -4 616.547 894.680 35 -8 -11 -3 5989.71 806.625 20 -8 -11 -3 5575.85 747.460 14 -8 -11 -2 2830.38 751.919 20 -8 -11 -2 2117.78 697.524 14 8 11 -2 3332.39 968.406 35 -8 -11 -1 12917.9 938.009 20 -8 11 1 11077.4 898.261 30 -8 -11 -1 11851.5 872.138 14 -8 11 0 4189.27 611.018 51 -8 11 0 3577.17 658.460 46 -8 11 0 3898.25 753.755 30 -8 -11 0 3381.53 738.356 14 -8 11 -1 12582.3 821.806 37 -8 11 -1 10258.4 871.538 30 -8 11 -1 11322.2 781.495 46 -8 11 -1 10262.6 755.178 51 -8 11 -2 1890.52 563.189 51 -8 11 -2 1515.91 595.897 18 -8 11 -2 1097.41 604.119 46 -8 11 -2 1802.43 712.346 30 8 -11 -2 1271.71 721.296 12 -8 11 -3 6616.22 717.085 18 -8 11 -3 5696.62 703.583 46 -8 11 -3 6091.39 657.592 51 -8 11 -4 899.039 619.662 18 -8 11 -4 184.169 609.770 46 -8 11 -4 1675.25 558.061 51 8 -11 -4 1425.00 725.062 12 -8 11 -5 411.166 618.463 18 -8 11 -5 776.084 602.842 46 -8 11 -5 1236.05 632.422 43 -8 11 -5 1159.63 559.173 51 8 -11 -5 1967.45 725.834 12 -8 11 -6 225.741 587.289 18 8 -11 -6 40.5502 690.917 12 -8 11 -6-309.345 605.310 30 -8 11 -7 884.414 575.507 18 -8 11 -7 1149.06 592.488 30 8 -11 -7 1276.73 696.574 12 -8 11 -8 3898.26 571.158 46 -8 11 -8 3342.93 597.094 18 -8 11 -8 3669.11 595.022 43 -8 11 -8 3200.76 606.219 30 8 -11 -8 3287.62 702.463 12 -8 11 -9 3628.80 581.256 18 -8 11 -9 4268.80 584.384 43 -8 11 -9 3138.29 604.667 30 8 -11 -9 2192.34 677.744 12 8 -11 -10 1106.99 637.713 12 -8 11 -10 1930.60 521.724 18 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2360.17 788.530 35 8 -12 6 3649.70 630.389 16 -8 -12 -6 3155.47 666.794 20 -8 -12 -6 4069.35 688.743 28 -8 -12 -6 3088.98 692.853 29 -8 -12 -6 3443.61 658.235 14 -8 -12 -5 16813.4 953.995 20 -8 -12 -5 17610.3 952.993 28 -8 -12 -5 16607.8 944.869 14 8 12 -5 16568.9 1080.50 35 -8 -12 -4 2408.67 664.874 20 -8 -12 -4 2815.37 665.831 14 -8 -12 -4 3160.62 679.506 28 -8 -12 -3 5693.99 713.259 14 -8 12 3 3513.31 644.565 30 -8 -12 -2 2600.61 675.530 14 -8 12 2 3507.55 646.156 30 -8 -12 -1 1700.23 662.094 14 -8 12 1 220.603 619.952 30 -8 -12 0 2246.86 670.450 14 -8 12 0 2678.48 652.816 30 -8 -12 1 590.527 656.841 14 -8 12 -1 1967.51 623.994 30 -8 -12 2 3216.51 719.210 14 -8 12 -2 2427.56 632.891 30 -8 12 -3 5540.59 639.108 18 -8 12 -3 5124.08 674.820 30 -8 12 -4 3065.16 602.645 18 -8 12 -4 1689.75 608.170 30 8 -12 -4 2522.22 739.925 12 -8 12 -5 20736.6 935.470 51 -8 12 -5 19529.1 938.970 18 -8 12 -5 21052.0 959.474 43 -8 12 -5 16555.8 948.548 30 8 -12 -5 15071.5 997.613 12 -8 12 -6 4004.32 607.673 18 -8 12 -6 2656.96 543.112 46 -8 12 -6 3119.13 588.629 43 -8 12 -6 2765.57 610.047 30 8 -12 -6 4428.51 717.795 12 -8 12 -7 5299.19 579.721 46 -8 12 -7 5512.83 625.701 18 -8 12 -7 4848.97 600.858 43 -8 12 -7 5157.90 627.657 30 8 -12 -7 5612.30 734.789 12 -8 12 -8 2772.94 551.561 18 -8 12 -8 2605.09 540.666 43 -8 12 -8 2699.62 560.018 30 8 -12 -8 3371.46 657.344 13 -8 12 -9 3154.05 547.848 30 -8 12 -9 3709.91 548.760 18 -8 12 -9 3310.51 545.336 43 -8 12 -10-48.6455 468.046 18 -8 12 -10 801.859 485.084 43 -8 12 -11 284.035 432.049 18 -8 12 -11-478.286 483.880 44 -8 12 -11 589.614 463.024 43 -8 12 -12 536.228 399.574 18 -8 12 -12 434.330 418.363 44 -8 12 -13 998.737 441.021 50 8 13 -11-211.358 546.142 35 8 13 -10-377.801 617.491 35 8 13 -10 606.435 487.840 34 8 13 -9 1767.12 670.784 35 -8 -13 -9 2486.83 548.038 29 8 13 -9 1902.19 545.719 34 -8 -13 -9 2248.41 557.606 20 8 13 -8 5654.63 761.851 35 -8 -13 -8 7197.01 649.953 20 8 13 -7 846.282 691.989 35 -8 -13 -7 1523.06 598.054 29 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570.655 704.350 19 9 8 -13 822.306 654.156 34 9 8 -12 1068.45 722.569 35 9 8 -12 24.5646 698.664 34 9 -8 12 806.907 526.306 16 -9 8 11 1997.39 503.448 36 9 8 -11 1813.27 791.047 35 -9 -8 -11 3146.50 497.366 24 9 8 -11 2696.03 754.771 34 9 -8 11 3186.08 587.020 16 -9 8 10 1228.34 548.474 36 9 8 -10 701.273 800.233 35 -9 -8 -10 419.962 483.500 24 9 8 -10 225.818 750.037 34 -9 -8 -10 9.43797 651.474 20 9 -8 10 472.916 574.646 16 -9 8 9 3800.71 661.287 36 -9 -8 -9 4621.10 561.469 24 -9 -8 -9 5313.62 748.627 29 9 -8 9 5460.43 662.139 16 -9 -8 -9 3489.03 731.290 20 9 -8 8 1632.81 630.333 16 -9 -8 -8 2351.68 522.322 24 9 8 -8 1076.63 900.634 35 -9 -8 -8 2517.61 743.608 29 -9 -8 -8 2281.27 694.461 14 -9 8 7 2045.77 692.249 36 9 8 -7 3953.09 932.589 35 -9 -8 -7 1462.12 718.561 14 9 8 -7 1001.99 855.946 34 9 -8 7 2256.38 656.874 16 9 -8 6 7935.02 761.238 16 -9 -8 -6 7990.57 906.047 20 -9 8 6 6160.57 774.102 36 9 8 -6 6215.82 961.639 35 9 8 -6 5756.24 925.532 34 -9 -8 -6 5602.23 803.766 14 -9 8 5 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4536.91 826.623 34 -11 2 4 4029.96 732.658 36 -11 2 4 4271.72 809.092 39 -11 -2 -3 4228.31 636.868 17 -11 -2 -3 4407.61 522.246 15 11 2 -3 3824.41 818.141 34 -11 2 3 2738.36 694.001 36 -11 2 3 3171.05 789.950 39 11 -2 3 5260.13 755.114 49 11 2 -3 3088.36 678.108 23 -11 2 2 13387.7 977.995 39 -11 2 2 11269.8 863.890 36 -11 -2 -2 10636.8 651.385 15 11 2 -2 11557.3 851.116 23 11 -2 2 10749.6 871.366 49 -11 2 1-110.735 593.479 36 -11 2 1-404.653 780.559 39 -11 -2 -1-275.004 723.716 39 11 2 -1-392.687 631.040 23 11 -2 1 430.796 671.194 49 -11 2 1-308.307 543.390 51 -11 2 0 5286.60 670.847 36 -11 -2 0 4965.86 785.483 39 11 2 0 6027.55 711.219 23 11 -2 0 5932.76 773.186 49 -11 2 0 4734.39 617.561 51 -11 -2 1 459.648 716.623 39 11 2 1 869.798 620.428 23 11 -2 -1 651.641 671.830 49 -11 2 -1 251.330 524.586 51 -11 -2 2 9002.18 794.646 36 -11 -2 2 10245.2 902.807 39 11 2 2 9517.30 898.488 49 -11 2 -2 8598.48 704.851 51 -11 2 -3 5695.59 761.812 37 -11 -2 3 4828.30 919.019 38 -11 -2 3 2903.51 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703.069 630.230 39 -11 2 -11 746.914 453.589 15 -11 -2 11 674.909 701.579 38 -11 -2 11 795.776 622.997 39 -11 -2 12 3367.45 701.467 38 -11 -2 12 1449.96 621.525 39 -11 2 -12 2404.38 448.481 15 -11 2 -12 1713.18 460.413 24 -11 -2 13 1024.42 658.207 38 -11 -2 13 611.615 482.656 36 -11 -2 13 849.543 553.543 39 -11 2 -13 736.023 386.020 24 -11 -2 14 1924.47 571.364 38 -11 -2 14 397.645 427.523 36 -11 3 13 214.657 486.556 36 -11 -3 -13 335.584 397.034 24 -11 3 12 749.035 662.298 38 11 3 -12 612.231 566.282 34 -11 3 12 85.0408 517.776 36 -11 -3 -12-323.737 429.705 24 -11 3 11-86.0660 679.697 38 -11 3 11 924.623 529.901 36 11 3 -11 794.933 625.840 34 -11 3 11 1212.45 564.220 39 -11 -3 -11 1343.09 425.490 15 -11 -3 -11 1267.07 461.049 24 11 3 -11 298.940 443.715 23 -11 3 10 1669.52 705.267 38 11 3 -10 1463.91 669.662 34 -11 3 10 1028.02 548.177 36 -11 3 10 2165.09 637.225 39 -11 -3 -10 1168.03 446.653 15 -11 -3 -10 1066.02 468.077 24 11 3 -10 1029.70 513.383 23 -11 3 9 2590.95 738.481 38 -11 3 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34 -11 4 5 2862.73 670.454 36 11 -4 4 2680.20 684.805 49 -11 -4 -4 2190.00 462.413 15 -11 4 4 3057.44 665.397 17 -11 4 4 2704.70 673.220 36 -11 4 4 3185.64 793.196 39 11 4 -4 3076.87 814.963 34 -11 4 3 3263.98 678.199 17 11 -4 3 5019.92 720.705 49 11 4 -3 3865.28 707.783 23 11 4 -3 4526.69 845.975 34 -11 4 3 3169.97 657.281 36 -11 4 2 15091.7 971.114 17 11 -4 2 16179.3 968.135 49 11 4 -2 15536.6 949.551 23 11 4 -2 18741.4 1100.39 34 -11 4 2 15347.4 950.541 36 -11 4 1 758.292 606.549 17 -11 4 1-60.5223 581.106 36 -11 -4 -1 747.461 715.505 39 -11 4 1 141.361 537.252 51 11 -4 1 363.398 655.648 49 11 4 -1 38.9845 645.906 23 -11 -4 0 20290.2 1168.53 39 -11 4 0 22779.5 1107.28 17 -11 4 0 21132.2 1036.95 51 11 4 0 22763.5 1097.85 23 -11 4 0 23819.8 1099.51 36 -11 4 -1 258.826 568.696 17 11 -4 -1 413.329 671.813 49 -11 4 -1 605.041 541.832 51 11 4 1 625.506 639.709 23 -11 -4 1-367.760 734.026 39 -11 -4 2 13701.2 997.478 39 -11 4 -2 15960.6 974.741 37 11 4 2 13915.0 1002.93 49 -11 4 -2 13190.9 850.238 51 -11 4 -2 13316.6 864.157 17 -11 4 -3 5326.08 746.963 37 -11 -4 3 4547.19 912.074 38 -11 -4 3 3376.52 789.545 39 -11 4 -3 4923.59 640.646 17 11 4 3 4303.34 798.621 49 11 -4 -3 4211.50 729.332 49 -11 4 -3 3970.87 625.834 51 -11 4 -4 1920.50 685.563 37 -11 -4 4 2769.01 874.411 38 -11 -4 4 3015.95 776.427 39 -11 4 -4 1403.06 555.868 17 -11 4 -4 1414.85 597.738 46 11 -4 -4 2550.23 698.750 49 -11 4 -4 2097.73 586.222 51 -11 4 -5 2158.98 675.417 37 -11 4 -5 1433.20 547.969 17 -11 4 -6 1387.67 544.155 17 -11 4 -7-242.512 527.766 46 -11 4 -7 274.268 500.792 17 -11 4 -7 315.672 536.737 15 11 -4 -7 246.910 563.912 49 -11 -4 7 1085.30 775.760 38 -11 -4 7 436.233 541.978 36 -11 4 -7 255.734 568.281 37 -11 -4 7 214.144 668.143 39 -11 -4 8 7570.92 895.085 38 -11 -4 8 5697.82 791.925 39 -11 4 -8 10856.6 685.197 15 -11 4 -8 10560.8 700.857 17 11 -4 -8 6186.92 676.345 49 -11 -4 9 1342.56 765.070 38 -11 -4 9-237.147 657.377 39 -11 4 -9 560.736 468.272 17 -11 4 -9 1050.83 504.482 15 -11 4 -9 698.473 515.136 43 -11 -4 10 6686.88 810.186 38 -11 4 -10 5918.03 547.565 17 -11 4 -10 6454.73 552.229 15 -11 4 -10 4786.23 582.615 43 -11 4 -11 194.836 428.929 15 11 -4 -11-402.257 598.224 12 -11 -4 11-239.100 692.954 38 -11 -4 11-62.8638 597.482 39 -11 4 -12 5860.53 423.848 24 -11 -4 12 6751.05 742.256 38 -11 -4 12 3095.24 558.389 36 -11 -4 12 4148.20 671.351 39 -11 -4 13 22.0947 601.562 38 -11 -4 13-79.9742 410.359 36 -11 -4 13 194.093 518.893 39 -11 -5 -12-72.4619 387.269 24 11 5 -12 652.560 388.871 23 -11 5 12 263.876 445.018 36 11 5 -12 247.449 567.456 34 -11 -5 -11 948.553 414.185 24 11 5 -11 920.749 471.358 23 -11 5 11 411.018 501.466 36 11 5 -11 558.397 622.734 34 11 5 -10 2205.67 526.468 23 -11 -5 -10 1164.58 436.634 24 11 5 -10 2312.88 670.639 34 -11 5 10 1321.06 530.190 36 -11 5 9 2010.94 576.175 36 11 5 -9 1606.99 687.626 34 11 5 -9 1231.23 549.968 23 -11 -5 -9 3487.31 480.245 24 -11 5 8 6342.13 684.785 36 11 5 -8 6132.09 790.034 34 -11 -5 -8 6632.25 551.434 24 11 5 -8 6795.68 670.999 23 -11 -5 -8 6278.54 526.717 15 -11 5 7 966.943 567.556 36 11 5 -7 437.390 565.143 23 -11 -5 -7 681.365 434.095 15 11 5 -7 689.904 694.285 34 11 5 -6 4585.68 659.089 23 -11 -5 -6 5725.48 518.837 15 11 5 -5 845.912 581.151 23 -11 -5 -5 1129.07 443.946 15 -11 5 4 1781.49 625.372 17 -11 5 4 1819.15 656.113 36 -11 5 3 4862.09 702.799 17 11 -5 3 3693.57 701.790 49 11 5 -3 3456.39 858.297 34 -11 5 3 4292.19 684.436 36 -11 5 2 231.569 611.216 17 11 -5 2 1646.11 669.913 49 11 5 -2 625.548 808.890 34 -11 5 2-12.1357 583.540 36 -11 5 1 9543.72 773.721 17 -11 -5 -1 8026.20 781.033 14 11 -5 1 9733.13 810.291 49 -11 5 1 7733.73 695.504 51 -11 5 1 9320.43 761.655 36 -11 5 0 1325.63 592.576 17 -11 -5 0 922.841 659.151 14 11 -5 0 1452.87 664.806 49 -11 5 0 1028.34 538.640 51 -11 5 -1 6207.84 686.586 17 -11 -5 1 7754.01 805.652 14 -11 5 -1 5797.62 661.765 51 -11 -5 1 7087.95 835.640 39 -11 5 -1 7008.74 805.860 37 -11 5 -2 1236.78 683.119 37 -11 -5 2 1233.63 715.303 39 11 -5 -2 272.371 653.949 49 -11 5 -2 870.617 543.285 51 -11 5 -2 1123.24 559.964 17 -11 5 -3 3102.24 712.794 37 11 -5 -3 3636.33 709.533 49 -11 5 -3 3006.88 611.891 51 -11 5 -3 3166.50 578.062 17 -11 5 -4 4518.37 715.054 37 -11 5 -4 3597.83 584.992 17 -11 5 -5 1186.37 525.463 17 -11 -5 6 6551.27 861.839 38 -11 -5 6 5046.89 791.331 39 -11 5 -6 6412.00 634.202 17 -11 5 -6 6640.53 631.659 46 11 -5 -6 5054.03 662.984 49 -11 5 -7 717.537 510.038 46 -11 5 -7 309.734 509.550 17 -11 5 -7 325.203 549.501 15 11 -5 -7 765.784 538.202 49 -11 -5 7-530.481 771.093 38 -11 5 -7 473.615 562.824 37 -11 -5 7-57.9279 674.303 39 -11 -5 8 6423.18 803.425 39 -11 5 -8 7269.72 633.316 15 -11 5 -8 6322.19 618.334 17 -11 5 -8 6829.87 602.569 46 -11 -5 9 1532.05 768.765 38 -11 -5 9 1579.29 679.250 39 -11 5 -9 3131.20 508.344 17 -11 5 -9 2886.48 521.070 15 -11 5 -9 1419.09 530.401 43 -11 -5 10 3281.22 738.848 38 -11 -5 10 2315.47 664.373 39 -11 5 -10 1454.74 444.049 17 -11 5 -10 1091.29 453.860 15 11 -5 -10 2541.16 671.274 12 -11 5 -10 887.333 499.055 43 -11 5 -11 1914.44 417.514 17 -11 5 -11 1342.51 432.564 15 11 -5 -11 2408.55 610.605 12 -11 -5 11 1324.87 705.109 38 -11 -5 11 605.743 603.514 39 -11 -5 12 197.900 640.973 38 -11 -5 12 650.825 583.881 39 -11 -5 13 16.7241 485.707 39 -11 6 12 429.640 374.988 36 11 6 -12 1119.67 552.805 34 11 6 -11 1857.20 485.839 23 -11 -6 -11 1723.56 390.542 24 11 6 -11 2109.77 628.850 34 -11 6 11 1334.02 469.446 36 11 6 -10 1121.74 501.035 23 -11 -6 -10 1443.55 427.426 24 -11 6 10 648.205 477.514 36 11 6 -10 1357.95 639.942 34 -11 6 9 5667.71 609.754 36 -11 -6 -9 4529.15 488.068 24 11 6 -9 5173.28 610.345 23 11 6 -9 5477.75 744.116 34 -11 6 8 2337.13 557.322 36 11 6 -8 2193.16 576.766 23 -11 -6 -8 3742.11 481.308 24 11 6 -8 2836.01 716.420 34 -11 6 7 5407.68 632.796 36 11 6 -7 4750.07 758.174 34 11 6 -7 4272.39 645.208 23 -11 -6 -7 5088.74 506.620 24 -11 6 6 346.140 525.984 36 11 6 -6-255.692 682.371 34 -11 -6 -6 373.304 590.080 20 11 6 -6 343.443 548.317 23 -11 6 5 2801.43 619.289 36 11 6 -5 3769.56 748.748 34 -11 -6 -5 4893.69 660.526 14 11 6 -5 3419.69 622.642 23 -11 -6 -5 4049.61 663.448 20 -11 -6 -4 3534.19 661.503 14 11 6 -4 2159.06 598.360 23 -11 6 4 2070.87 586.174 17 -11 -6 -4 2274.79 657.412 20 -11 -6 -3 5913.61 717.868 14 11 6 -3 2872.81 620.636 23 -11 -6 -3 6748.86 723.597 20 -11 6 3 3156.49 633.994 17 -11 -6 -2 6349.03 742.359 14 11 6 -2 4394.01 664.176 23 -11 -6 -2 6494.54 736.111 20 -11 6 2 6198.68 705.135 17 11 -6 1 5958.90 748.811 49 -11 6 1 1573.34 605.987 17 -11 -6 -1 4644.09 710.488 20 -11 -6 -1 3430.23 714.805 14 11 6 -1 1713.36 640.265 23 11 -6 0 3115.48 702.307 49 -11 6 0 2930.72 586.816 51 -11 6 0 2958.71 727.736 37 -11 6 0 2877.33 609.958 17 -11 -6 0 3946.28 711.482 20 -11 -6 0 3888.96 705.928 14 11 6 0 1856.06 632.474 23 -11 6 -1 3572.16 599.919 51 -11 6 -1 4601.91 753.555 37 -11 6 -1 4719.74 632.997 17 11 6 1 3088.16 633.921 23 -11 6 -2 4736.57 625.101 17 -11 6 -3 5832.92 630.943 17 -11 -6 4 1840.18 680.542 39 -11 6 -4 1353.07 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5183.65 449.048 17 -11 -7 12 55.6971 463.745 39 11 8 -11 399.130 489.757 34 11 8 -10 227.231 576.844 34 11 8 -10 1143.48 466.023 23 11 8 -9 3071.19 647.916 34 11 8 -9 2700.71 535.631 23 11 8 -8-32.7546 604.923 34 -11 -8 -8 1477.46 533.109 20 11 8 -8-378.826 510.419 23 11 8 -7 4565.44 689.232 34 11 8 -7 3373.71 593.058 23 11 8 -6 252.113 640.726 34 -11 -8 -6 727.653 592.829 20 11 8 -6 445.366 527.880 23 -11 -8 -6-644.369 591.331 14 11 8 -5 7145.02 767.113 34 -11 8 5 6897.33 631.800 37 -11 -8 -5 9700.88 728.647 14 -11 -8 -5 9407.05 750.077 20 11 8 -5 4996.45 635.588 23 -11 8 4 1180.72 565.668 37 11 8 -4 1378.96 684.876 34 -11 -8 -4 877.318 634.977 20 -11 -8 -4 1010.06 628.327 14 11 8 -4 870.982 543.050 23 -11 8 3 8425.51 718.828 37 -11 8 3 5774.01 618.786 17 -11 -8 -3 10282.7 790.982 14 -11 -8 -3 10322.4 767.115 20 11 8 -3 5876.41 669.447 23 -11 8 2 3246.27 533.595 51 -11 8 2 5228.81 662.245 37 -11 8 2 4022.77 580.792 17 -11 -8 -2 4547.21 693.752 20 -11 -8 -2 4017.14 698.240 14 11 8 -2 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11-88.5231 454.652 36 -12 1 11 725.993 505.918 39 -12 -1 -11 918.319 400.646 24 -12 1 10 1094.11 507.257 36 -12 1 10 402.066 573.712 39 -12 -1 -10 489.165 395.060 15 -12 -1 -10 891.393 424.187 24 -12 -1 -9 1729.99 421.983 15 -12 1 9 2363.60 676.883 38 -12 1 9 1554.89 538.494 36 -12 1 9 1263.02 579.093 39 -12 1 8 203.298 521.500 36 -12 1 8 406.416 570.420 39 12 1 -8 67.1108 447.988 23 -12 -1 -8 14.9612 405.672 15 -12 1 7 8129.05 719.981 36 -12 -1 -7 9602.33 577.057 15 12 1 -7 8770.18 652.881 23 -12 1 7 7863.56 761.873 39 12 1 -6 2260.44 537.819 23 -12 1 6 1735.04 579.980 36 -12 1 6 3132.19 653.712 39 -12 -1 -6 1912.33 462.093 15 -12 1 5 5924.77 682.406 36 -12 -1 -5 8237.87 701.508 37 -12 1 5 5553.72 740.390 39 -12 -1 -5 9177.56 579.437 15 -12 -1 -5 8640.26 656.498 17 12 -1 5 9996.11 764.867 49 12 1 -5 6373.23 649.074 23 -12 -1 -4 2295.05 614.107 37 -12 1 4 2582.48 582.400 36 -12 1 4 1998.89 680.703 39 -12 -1 -4 2578.02 470.832 15 -12 -1 -4 2162.68 553.643 17 12 -1 4 2537.83 634.674 49 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39 -12 1 -6 1805.90 565.424 37 -12 1 -7 10364.2 619.986 15 -12 1 -7 9804.73 673.820 17 -12 -1 7 9319.91 875.037 38 -12 -1 7 7383.03 741.643 36 -12 1 -7 10111.0 701.545 37 -12 -1 7 8410.92 767.746 39 -12 1 -8-151.237 441.574 15 -12 -1 8 966.700 689.848 38 -12 -1 8-172.451 530.556 36 -12 -1 8 461.855 574.768 39 12 -1 -9 1625.30 522.775 49 -12 1 -9 1976.46 444.143 15 -12 -1 9 2415.41 700.397 38 -12 -1 9 1265.96 546.628 36 -12 -1 9 1836.59 597.787 39 -12 1 -10 516.870 391.351 15 -12 -1 10 1891.58 649.828 38 -12 -1 10 577.806 498.447 36 -12 -1 10 1149.58 562.706 39 -12 -1 11-257.013 616.628 38 -12 -1 11 54.4523 464.853 36 -12 -1 11 19.4224 526.942 39 -12 1 -11 356.481 391.618 24 -12 -1 12 667.627 407.118 36 -12 -1 12-520.493 475.882 39 -12 2 12-99.1221 372.792 36 -12 -2 -12 708.603 339.609 24 -12 2 11 1112.51 463.253 36 -12 -2 -11 1744.91 405.729 24 -12 2 10 730.368 478.351 36 -12 -2 -10 1332.37 383.078 15 -12 -2 -10 901.553 420.673 24 -12 2 9 2184.75 539.895 36 -12 2 9 3350.33 594.332 39 12 2 -9 2324.79 473.203 23 -12 2 8 1560.02 529.527 36 -12 2 8 2321.07 597.592 39 -12 -2 -8 1908.93 421.445 15 12 2 -8 1692.12 493.902 23 -12 2 7 1333.79 534.757 36 -12 2 7 1470.66 604.634 39 12 2 -7 891.826 507.341 23 -12 -2 -7 1471.30 426.214 15 -12 2 6 4937.21 631.269 36 -12 -2 -6 7206.94 513.342 15 12 2 -6 4951.35 585.790 23 -12 2 6 5475.58 706.336 39 -12 -2 -5 4436.66 481.006 15 -12 2 5 3121.82 590.527 36 -12 2 5 4448.38 701.262 39 12 -2 5 5334.06 677.793 49 12 2 -5 3903.60 583.053 23 -12 2 4 5740.16 732.649 39 -12 2 4 4045.17 608.458 36 -12 -2 -4 6915.91 520.001 15 12 -2 4 7608.02 705.106 49 12 2 -4 4277.06 603.807 23 -12 -2 -3 3736.89 636.873 37 -12 2 3 3048.20 581.417 36 12 -2 3 4642.82 662.488 49 12 2 -3 3086.25 586.636 23 -12 -2 -3 4511.57 485.359 15 12 2 -2 1743.81 561.043 23 -12 2 2 2744.17 594.867 17 -12 2 1 4209.38 646.960 17 -12 2 0 6797.95 697.143 17 -12 2 -1 7192.64 708.644 17 -12 2 -2 2310.34 597.540 17 -12 2 -2 2387.51 548.939 15 12 2 2 2967.01 680.424 49 -12 2 -3 3333.57 545.028 46 -12 2 -3 3794.67 640.884 37 -12 -2 3 3282.59 688.122 39 -12 2 -3 3165.56 615.159 17 -12 2 -3 3664.34 551.100 15 12 2 3 2320.12 667.845 49 12 -2 -3 3537.08 646.659 49 12 2 4 7844.51 746.070 49 12 -2 -4 4977.27 672.729 49 -12 2 -4 7430.10 603.239 15 -12 2 -4 7934.33 688.858 17 -12 -2 4 4141.70 612.893 36 -12 2 -4 8656.00 714.013 37 -12 -2 4 4732.38 730.024 39 12 2 5 5851.42 701.311 49 12 -2 -5 3760.27 662.449 49 -12 2 -5 4943.97 562.926 15 -12 2 -5 6442.32 644.830 17 -12 -2 5 3832.65 625.234 36 -12 2 -5 5936.15 643.286 37 -12 -2 5 4497.90 706.852 39 12 -2 -6 6676.70 690.285 49 -12 2 -6 9337.71 675.479 17 -12 2 -6 7541.51 594.804 15 -12 -2 6 4866.00 666.721 36 -12 2 -6 9184.57 700.876 37 -12 -2 6 6254.83 726.794 39 -12 -2 6 7334.72 859.928 38 12 -2 -7 1637.55 568.358 49 -12 2 -7 2108.97 514.644 17 -12 2 -7 2145.54 485.357 15 -12 -2 7 1508.20 749.920 38 -12 -2 7 1737.08 565.804 36 -12 2 -7 2522.76 542.207 37 -12 -2 7 1758.00 621.452 39 12 -2 -8 1233.72 533.179 49 -12 2 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528.441 23 -12 -3 -5 1520.39 415.985 15 -12 3 5 2622.75 542.176 36 -12 -3 -4 625.523 406.817 15 -12 3 4 1111.13 462.961 51 12 -3 4 771.913 588.402 49 12 3 -4 456.078 511.886 23 -12 3 4 1154.88 514.652 36 12 -3 3 1391.70 598.169 49 -12 3 3 771.306 458.559 51 12 3 -3 1881.28 543.306 23 -12 3 3 1261.95 517.103 36 -12 3 2 6017.42 664.144 17 12 -3 2 6693.34 695.522 49 -12 3 2 4688.56 555.958 51 12 3 -2 5681.68 613.781 23 -12 3 2 5334.96 607.628 36 -12 3 1 413.083 556.464 17 12 3 -1 814.038 520.202 23 -12 3 1-49.7327 464.052 51 12 3 0 11017.5 853.163 49 -12 3 0 10167.1 703.667 51 -12 3 0 12513.4 813.938 17 -12 -3 1 1166.39 646.961 39 -12 3 -1 325.444 548.927 17 12 3 1 1093.03 654.698 49 -12 3 -1 387.474 474.077 51 -12 3 -2 7837.26 730.802 37 -12 3 -2 6802.92 677.600 17 -12 -3 2 7596.36 771.980 39 12 -3 -2 8065.28 726.589 49 12 3 2 6606.19 766.688 49 -12 3 -2 6354.73 597.504 51 -12 3 -3 1203.51 507.604 46 -12 3 -3 1679.72 561.778 17 -12 3 -3 2123.45 601.740 37 -12 -3 3 2019.69 672.928 39 -12 3 -3 1378.11 540.571 15 12 3 3 1823.39 654.394 49 12 -3 -3 3197.35 621.099 49 -12 3 -3 1712.87 490.064 51 -12 3 -4 312.315 494.800 46 -12 3 -4 492.945 539.098 17 -12 3 -4 6.92072 517.523 15 12 3 4 308.535 602.421 49 12 -3 -4 660.874 582.982 49 -12 -3 4 489.174 635.508 39 -12 3 -4 594.486 564.203 37 -12 3 -5 1489.66 536.082 17 -12 3 -5 1923.56 519.103 15 -12 -3 5 940.797 654.915 39 -12 3 -5 2154.18 563.593 37 12 -3 -5 1039.32 597.195 49 -12 3 -6-124.737 546.915 37 -12 -3 6 264.037 617.528 39 -12 3 -6 431.464 497.855 17 -12 3 -6 272.726 484.892 15 12 -3 -6 271.322 557.635 49 -12 -3 7 302.031 749.112 38 -12 -3 7 885.453 613.306 39 12 -3 -7 641.630 528.823 49 -12 3 -7 1356.83 480.142 15 -12 3 -7 1445.89 493.426 17 -12 -3 8 1241.41 719.562 38 -12 -3 8 808.231 593.987 39 -12 3 -8 2007.80 469.219 17 -12 3 -8 1754.25 451.561 15 12 -3 -8 978.040 505.312 49 -12 3 -8 1625.59 471.664 43 -12 3 -9 1188.43 423.793 15 -12 -3 9 1961.83 706.917 38 -12 -3 9 156.187 570.983 39 -12 3 -10 4717.38 437.494 15 -12 -3 10 4186.23 706.784 38 -12 -3 11 734.024 609.845 38 -12 -3 11-37.0243 509.570 39 -12 -4 -11 58.2692 340.131 24 -12 4 11-453.890 380.475 36 -12 -4 -10 2559.47 406.511 24 12 4 -10 2272.05 431.775 23 -12 4 10 2840.53 478.904 36 -12 -4 -9 719.393 410.422 24 12 4 -9 439.022 445.703 23 -12 4 9 1275.60 466.162 36 -12 -4 -8 4246.97 466.765 24 12 4 -8 3981.90 539.935 23 -12 -4 -8 4805.96 435.858 15 -12 4 8 4185.14 545.949 36 12 4 -7 1542.85 503.196 23 -12 -4 -7 933.240 393.614 15 -12 4 7 1702.49 488.857 36 -12 -4 -6 4528.40 450.496 15 -12 4 6 4368.55 567.220 36 12 4 -5 1954.04 532.575 23 -12 4 5 1855.36 522.072 36 -12 4 4 2498.52 492.478 51 12 4 -4 3781.91 565.559 23 -12 4 4 3885.47 563.436 36 12 -4 3 2336.51 588.274 49 -12 4 3 1147.40 463.105 51 12 4 -3 2037.28 534.214 23 -12 4 3 1526.29 492.335 36 -12 4 2 1442.07 569.130 17 12 4 -2 787.673 527.100 23 -12 4 2 1055.84 473.040 51 -12 4 1-209.249 546.716 17 12 -4 1 334.412 568.896 49 -12 4 1 184.603 454.838 51 12 4 -1-294.270 518.802 23 -12 4 0 811.576 554.389 17 12 -4 0 757.599 569.177 49 12 4 0 184.641 637.978 49 -12 4 0 496.360 478.313 51 12 4 0-240.946 526.587 23 -12 4 0 632.635 602.667 37 -12 4 -1 484.020 596.589 37 -12 -4 1 325.474 610.403 39 12 -4 -1-153.556 559.784 49 12 4 1 251.813 636.870 49 -12 4 -1 445.945 471.440 51 -12 4 -1 836.507 542.713 17 -12 4 -2 1945.57 606.089 37 -12 -4 2 505.716 628.331 39 -12 4 -2 1363.12 546.893 17 12 -4 -2 832.727 584.248 49 12 4 2 1363.32 642.684 49 -12 4 -2 1793.50 496.327 51 -12 -4 3 1432.49 652.611 39 -12 4 -3 1110.40 581.621 37 -12 4 -3 1133.67 531.149 17 -12 4 -3 1140.38 489.093 46 12 4 3 391.438 612.295 49 12 -4 -3 2141.57 590.802 49 -12 4 -3 637.910 483.459 51 -12 4 -4 3346.21 531.639 46 -12 4 -4 3658.69 577.974 17 -12 -4 4 2937.85 678.685 39 -12 4 -4 4069.84 613.752 37 -12 4 -4 3324.25 556.582 15 12 -4 -4 2790.72 605.204 49 -12 4 -5 3268.24 512.189 46 -12 4 -5 3214.61 545.278 17 -12 4 -5 2338.12 532.415 15 -12 -4 5 2730.03 664.886 39 -12 4 -5 3263.58 588.609 37 12 -4 -5 2011.40 572.245 49 -12 4 -6 4942.28 604.067 37 -12 -4 6 4914.67 692.813 39 -12 4 -6 5123.01 549.125 15 -12 4 -6 5079.48 574.063 17 12 -4 -6 3508.16 595.840 49 -12 -4 7 2532.48 631.382 39 12 -4 -7 1164.00 505.103 49 -12 4 -7 1075.05 468.793 17 -12 4 -7 1580.15 469.951 15 -12 -4 8 4031.79 758.562 38 -12 -4 8 4066.11 664.458 39 -12 4 -8 3697.01 505.429 17 -12 4 -8 4522.57 484.029 15 -12 4 -8 2979.10 502.458 43 -12 4 -9 946.967 401.360 17 -12 4 -9 1371.92 415.273 15 -12 -4 9 1872.42 692.139 38 -12 -4 9 998.425 578.637 39 -12 -4 10 2725.98 605.227 39 -12 -4 11 114.060 486.412 39 12 5 -10 1806.07 410.479 23 -12 5 10 1442.86 425.727 36 -12 -5 -9 3133.91 405.888 24 12 5 -9 1776.05 477.230 23 -12 5 9 2588.19 472.679 36 -12 -5 -8 1951.00 396.651 24 12 5 -8 886.277 475.064 23 -12 5 8 1132.06 457.415 36 -12 -5 -7 1704.37 409.608 24 12 5 -7 1391.07 493.194 23 -12 5 7 845.788 460.217 36 -12 -5 -6 2124.54 418.307 24 12 5 -6 1891.65 516.981 23 -12 5 6 1568.46 477.937 36 12 5 -5 1392.45 519.891 23 -12 5 5 2026.00 492.347 36 -12 5 4 965.643 448.142 51 12 5 -4 1995.12 527.920 23 -12 5 4 599.696 469.029 36 -12 5 3 1646.99 472.565 51 12 5 -3 2012.93 531.909 23 -12 5 2 6343.88 662.861 17 12 -5 2 8998.59 691.849 49 -12 5 2 5210.28 575.404 51 12 5 -2 6591.80 626.115 23 -12 5 2 8309.00 719.494 37 -12 5 1 2054.66 577.088 17 -12 5 1 1530.30 479.566 51 12 5 -1 2038.07 557.161 23 -12 5 1 2325.87 632.887 37 -12 5 0 13041.9 812.703 17 12 -5 0 15057.6 838.241 49 12 5 0 11224.8 842.582 49 -12 5 0 11466.5 729.283 51 12 5 0 11929.8 750.219 23 -12 5 0 14760.1 856.733 37 -12 5 -1 4050.57 653.244 37 12 -5 -1 2625.43 613.863 49 12 5 1 2797.06 645.538 49 -12 5 -1 3285.99 521.432 51 -12 5 -1 3919.35 587.666 17 -12 5 -2 7624.59 694.907 37 -12 -5 2 5434.25 716.677 39 -12 5 -2 7106.08 645.330 17 12 -5 -2 7012.85 679.383 49 -12 5 -2 7705.32 614.764 46 -12 5 -2 6304.02 593.147 51 -12 -5 3 2359.15 648.163 39 -12 5 -3 4703.46 614.608 37 -12 5 -3 4171.08 567.080 17 -12 5 -3 3340.82 523.212 46 12 -5 -3 2912.19 577.557 49 -12 5 -3 3095.21 522.606 51 -12 -5 4 992.438 621.362 39 -12 5 -4 1100.43 538.472 37 -12 5 -4 901.554 493.619 17 -12 5 -4 588.688 485.001 46 12 -5 -4 740.562 523.257 49 -12 5 -4 614.763 459.759 51 -12 5 -5 2612.52 487.063 46 -12 5 -5 2857.97 515.010 17 -12 -5 5 2263.56 650.171 39 -12 5 -5 2313.97 553.395 37 -12 5 -5 2426.68 529.674 15 12 -5 -5 2069.37 547.234 49 -12 -5 6 1751.15 632.548 39 -12 5 -6 1803.06 491.159 17 -12 5 -6 2217.18 488.984 15 -12 5 -6 2510.83 472.773 46 -12 -5 7 2412.94 622.339 39 -12 5 -7 2647.01 482.950 17 -12 5 -7 2236.93 462.049 15 -12 -5 8 978.998 593.568 39 -12 5 -8 1794.75 435.779 17 -12 5 -8 977.115 423.412 15 12 -5 -8 1916.82 623.181 12 -12 5 -8 1039.99 456.345 43 -12 -5 9 2501.27 603.882 39 -12 5 -9 2524.55 433.424 17 -12 5 -9 2007.40 431.226 43 -12 -5 10 1810.42 567.113 39 -12 -5 11 162.464 448.530 39 12 6 -9 1800.82 451.208 23 -12 6 8 481.536 408.981 36 12 6 -8 355.634 460.483 23 -12 6 7 1242.43 472.633 37 -12 6 7 1267.42 432.363 36 12 6 -7 1164.22 476.909 23 -12 6 6 944.911 506.976 37 -12 6 6 329.953 428.185 36 12 6 -6 246.732 475.241 23 -12 6 5 3112.90 554.361 37 12 6 -5 1746.09 515.523 23 -12 6 5 2224.96 440.127 51 -12 6 4 1316.42 545.651 37 12 6 -4 1434.72 505.517 23 -12 6 4 841.630 430.697 51 -12 6 3 5627.50 637.029 37 -12 6 3 4408.19 522.394 51 12 6 -3 4096.85 562.307 23 -12 6 2 1555.69 573.888 37 -12 6 2 1504.65 525.544 17 -12 6 2 1272.93 458.227 51 12 6 -2 1338.16 517.530 23 -12 6 1 7912.09 703.151 37 -12 6 1 7253.04 660.734 17 12 -6 1 8005.00 681.246 49 -12 6 1 6209.35 570.036 51 12 6 -1 6427.95 622.159 23 -12 6 0 8548.68 707.697 37 -12 6 0 6455.59 644.021 17 12 -6 0 6154.60 664.302 49 12 6 0 4404.07 667.435 49 -12 6 0 5094.97 563.555 51 -12 -6 0 7229.12 658.072 20 12 6 0 5165.87 590.726 23 12 -6 -1 8052.80 668.757 49 -12 6 -1 5665.99 570.323 51 -12 6 -1 6250.46 631.072 17 -12 6 -1 6986.98 689.063 37 -12 -6 1 6612.50 672.896 14 -12 -6 1 7176.85 657.562 20 -12 6 -2 1463.07 483.880 46 -12 6 -2 1166.40 512.890 17 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2870.94 456.720 46 -12 9 -1 1912.44 430.291 51 -12 9 -2 3578.71 465.401 17 -12 -9 2 3051.93 546.792 20 -12 9 -2 3259.31 463.941 51 -12 9 -2 4607.88 476.532 46 -12 9 -3 4869.59 473.901 17 -12 9 -3 5649.08 505.516 43 -12 9 -3 5341.21 485.276 46 -12 9 -4 2258.57 431.574 46 -12 9 -4 2380.06 453.378 43 -12 9 -4 1789.08 404.236 17 -12 -9 4 3077.68 528.365 20 -12 9 -5 4665.35 435.367 17 -12 9 -5 5277.72 479.582 43 -12 9 -5 5057.49 450.306 46 -12 -9 6 966.290 463.124 20 -12 9 -6 839.860 395.788 43 -12 9 -6 755.851 358.591 46 -12 9 -7 2042.47 372.671 43 -12 10 5 280.640 315.925 51 -12 10 4 3565.44 384.881 46 -12 10 4 2211.25 388.992 51 -12 10 3 286.228 366.039 46 -12 10 3 621.385 356.800 51 -12 -10 -2 733.804 457.162 20 -12 10 2 298.558 381.666 46 -12 10 2 275.283 369.018 51 -12 -10 -1 208.624 469.026 20 -12 10 1 213.355 382.231 46 -12 10 1 337.192 368.333 51 -12 -10 0 1602.56 485.711 20 -12 10 0 2106.77 407.499 46 -12 10 0 2030.49 393.184 43 -12 10 0 1512.38 403.215 51 -12 -10 1-243.222 465.799 20 -12 10 -1 676.261 385.198 46 -12 10 -1 34.5333 380.088 43 -12 10 -1 564.065 378.619 51 -12 10 -2 1189.05 385.743 46 -12 10 -2 754.906 398.420 43 -12 -10 2 1037.64 458.022 20 -12 10 -3 171.352 368.150 46 -12 10 -3-519.950 404.440 43 -12 -10 3 836.167 448.207 20 -12 10 -4 5740.18 449.244 43 -12 10 -4 5875.49 426.418 46 -12 10 -5 539.791 359.353 43 -12 10 -5 1135.03 337.278 46 -12 11 2 1191.56 327.571 51 -12 11 1 428.123 316.695 51 -12 11 0 2939.90 351.441 46 -12 11 0 2932.59 372.227 51 -12 11 -1 104.042 314.611 46 -12 11 -2 1384.70 327.005 46 13 0 0 709.574 551.532 49 13 0 1 121.895 513.242 49 13 0 -1-32.9715 532.868 49 -13 0 -1-23.5947 521.003 37 13 0 2 8468.40 691.866 49 13 0 -2 6220.38 654.117 49 -13 0 -2 8040.71 677.226 37 13 0 3 425.855 540.347 49 13 0 -3-276.922 517.813 49 -13 0 -3 762.226 510.365 37 13 0 4 11482.5 723.322 49 13 0 -4 6407.25 655.262 49 -13 0 -4 9665.75 537.363 15 -13 0 -4 8434.95 630.455 37 13 0 -5 6552.75 666.912 49 -13 0 5 6872.26 596.113 36 13 0 -6 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37 13 1 2 4260.87 610.967 49 13 -1 -2 5201.38 607.375 49 -13 1 -2 4867.74 608.046 37 13 1 3 2922.05 594.450 49 13 -1 -3 2436.88 543.244 49 -13 1 -3 2284.52 429.294 15 -13 1 -3 1887.23 514.274 17 -13 1 -3 2149.65 522.988 37 13 1 4 556.711 553.000 49 13 -1 -4 605.893 519.044 49 -13 1 -4 910.978 479.129 17 -13 1 -4 201.260 419.574 15 -13 1 -4-211.281 496.038 37 -13 1 -5 5520.02 475.092 15 -13 1 -5 4720.28 516.665 17 -13 1 -5 4939.64 551.543 37 13 -1 -6 1518.92 496.262 49 -13 1 -6 2181.59 400.100 15 13 -1 -7 479.805 463.942 49 -13 -1 7 658.705 516.327 39 13 -1 -8 146.563 408.496 49 -13 1 -9 2223.67 359.846 24 13 2 -9 138.103 390.122 49 -13 -2 -9 281.925 326.288 24 -13 2 9 74.5617 330.581 36 13 2 -8 744.963 456.119 49 -13 -2 -8 1216.34 374.344 24 -13 2 8 916.799 384.779 36 13 2 -7 1010.00 468.601 49 -13 2 7 47.4865 382.659 36 13 2 -6-284.543 484.363 49 -13 2 6-264.039 405.587 36 13 2 -5 1927.18 529.413 49 -13 2 5 1657.86 449.506 36 13 2 -4 2463.21 549.824 49 13 -2 3 1476.62 540.859 49 13 2 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809.464 529.478 39 13 -2 -7 41.1989 440.565 49 -13 -2 8 1360.95 512.338 39 13 3 -9 191.659 379.950 49 -13 3 8 1961.81 431.372 37 -13 3 8 886.369 369.153 36 -13 -3 -8 1952.16 359.299 24 13 3 -8 1035.74 453.277 49 -13 3 7 1877.39 402.750 36 -13 -3 -7 2192.11 378.612 24 13 3 -5 2444.49 534.993 49 13 3 -4 1496.50 521.576 49 13 3 -3 2571.35 560.431 49 13 3 -2 2122.82 561.213 49 -13 3 2 2625.80 557.904 37 13 -3 1 2189.51 534.000 49 13 3 -1 284.686 548.558 49 -13 3 1 1593.24 530.097 37 13 -3 0 2717.91 547.677 49 13 3 0 2183.61 563.859 49 -13 3 0 2195.47 540.914 37 -13 3 -1 2170.24 543.800 37 -13 3 -1 1621.14 503.976 17 -13 3 -1 2076.53 450.899 15 13 -3 -1 1072.01 519.691 49 13 3 1 1995.48 573.600 49 -13 3 -1 1393.99 441.381 46 13 3 2 3427.46 581.762 49 13 -3 -2 2898.49 550.378 49 -13 3 -2 3897.09 479.409 15 -13 3 -2 3978.94 546.094 17 -13 3 -2 4259.95 570.811 37 13 3 3 5469.95 615.002 49 13 -3 -3 4010.93 569.555 49 -13 3 -3 6519.91 598.802 17 -13 3 -3 5459.39 505.883 15 -13 3 -3 6004.63 595.122 37 13 -3 -4 2187.68 509.020 49 -13 3 -4 2179.02 496.517 17 -13 3 -4 2014.12 436.910 15 -13 3 -4 2130.23 507.944 37 13 -3 -5 3123.88 524.242 49 -13 3 -5 4842.82 465.698 15 -13 3 -5 5556.43 530.216 17 -13 3 -5 6275.21 538.097 37 -13 -3 5 3881.32 623.853 39 13 -3 -6 1091.53 447.064 49 -13 3 -6 1950.04 399.644 15 -13 3 -6 1731.69 434.863 17 -13 -3 6 879.259 554.248 39 -13 -3 7 2385.43 550.888 39 -13 -3 8 494.576 499.297 39 13 4 -8-397.114 415.350 49 -13 -4 -7 889.152 336.833 24 -13 4 7 395.300 424.178 37 -13 -4 -6 2136.44 356.323 24 -13 4 6 1832.98 470.593 37 -13 4 5 451.339 467.139 37 -13 4 4 331.381 475.254 37 13 4 -4 153.906 497.125 49 -13 4 3 6374.93 601.182 37 13 4 -3 4051.24 581.765 49 -13 4 2 3511.81 553.690 37 13 4 -2 2484.12 533.543 49 -13 4 1 6575.10 612.654 37 13 -4 1 5980.78 596.951 49 -13 4 0 9580.28 666.438 37 13 -4 0 8628.15 657.863 49 -13 4 -1 6742.15 604.479 37 -13 4 -1 5046.23 495.960 46 13 -4 -1 5400.82 603.883 49 13 4 1 5023.61 591.416 49 -13 4 -1 4709.70 505.707 15 -13 4 -1 5979.98 564.473 17 -13 4 -2 3017.84 452.427 46 -13 4 -2 2997.48 511.427 17 13 -4 -2 3529.40 552.737 49 13 4 2 2341.66 534.776 49 -13 4 -2 2531.51 470.111 15 -13 4 -2 2830.29 519.891 37 -13 4 -3 5847.24 572.601 37 -13 4 -3 5446.50 496.366 15 -13 4 -3 5149.30 552.612 17 13 -4 -3 5952.53 587.230 49 -13 4 -4 607.298 460.015 37 -13 4 -4 13.5922 444.091 17 -13 4 -4 479.789 408.378 15 13 -4 -4 364.253 471.517 49 -13 4 -5 206.790 428.001 17 -13 4 -5-111.794 387.844 15 13 -4 -5 742.301 453.528 49 -13 4 -6 2076.59 432.332 17 -13 -4 6 1032.54 541.071 39 -13 -4 7 993.339 501.478 39 -13 -4 8-285.370 461.330 39 13 5 -7 1783.24 463.275 49 -13 5 6 872.054 414.007 37 13 5 -6 529.918 446.547 49 -13 5 5 1858.27 471.580 37 13 5 -5 1347.59 474.528 49 -13 5 4 1985.14 488.275 37 13 5 -4 1431.55 496.382 49 -13 5 3 246.308 490.244 37 13 5 -3 1070.61 503.209 49 -13 5 2 4703.24 553.184 37 13 5 -2 2409.00 550.741 49 -13 5 1 1580.54 510.039 37 13 5 -1 931.856 520.988 49 -13 5 0 936.847 499.669 37 13 5 0 1100.60 498.975 49 -13 5 0 940.032 427.071 46 -13 5 -1 1819.74 423.210 46 -13 5 -1 1979.33 473.333 17 -13 5 -1 1531.15 500.647 37 13 -5 -1 1407.19 510.594 49 -13 5 -1 1884.80 458.647 15 -13 5 -2 5024.96 544.680 37 -13 5 -2 4557.37 472.788 15 -13 5 -2 4580.72 513.197 17 -13 5 -2 3334.85 460.843 46 13 -5 -2 3717.64 537.005 49 -13 5 -3 939.710 471.083 37 -13 5 -3 749.991 443.193 17 -13 5 -3 576.439 410.671 15 -13 5 -3 729.396 394.956 46 13 -5 -3 444.765 469.914 49 -13 5 -4 1669.62 471.771 37 13 -5 -4 1996.87 470.041 49 -13 5 -4 1482.17 404.967 15 -13 5 -4 1480.94 443.067 17 -13 5 -5 1914.75 429.350 17 -13 5 -6 323.689 383.197 17 -13 5 -6 205.880 377.466 43 -13 5 -7 2760.41 381.363 43 13 6 -6 1091.47 420.684 49 13 6 -5 1124.04 448.517 49 -13 6 5 2392.94 416.807 37 13 6 -4 845.599 441.564 49 -13 6 4 447.018 348.730 51 -13 6 4 1230.86 437.967 37 13 6 -3 1638.19 473.016 49 -13 6 3 1360.12 374.507 51 -13 6 3 2561.74 476.807 37 13 6 -2 666.541 451.799 49 -13 6 2 503.317 362.472 51 -13 6 2 463.628 457.305 37 -13 6 1 2343.00 483.451 37 13 6 -1 1324.82 464.131 49 -13 6 1 1597.92 400.887 51 -13 6 1 1805.70 420.134 46 -13 6 0 4364.95 524.937 37 -13 6 0 3067.73 436.303 46 -13 6 0 3171.92 429.806 51 -13 6 -1 1990.96 493.264 37 -13 6 -1 2528.39 441.686 17 -13 6 -1 2184.60 423.798 46 -13 6 -1 2569.39 411.886 51 -13 6 -2 918.746 396.912 46 -13 6 -2 854.089 425.553 17 -13 6 -2 1186.59 469.770 37 -13 6 -3 2442.99 402.930 46 -13 6 -3 2210.73 431.573 17 -13 6 -3 3354.25 479.796 37 -13 6 -4 1396.01 396.088 17 -13 6 -4 1528.34 366.386 46 -13 6 -5 2524.87 396.265 17 -13 6 -5 2318.57 409.604 43 -13 6 -6 1173.37 371.606 43 -13 7 5 674.128 325.711 46 -13 7 4 1605.77 327.761 51 -13 7 4 1243.15 357.163 46 -13 7 3 1235.77 398.328 37 -13 7 3 980.302 342.415 51 -13 7 3 1002.53 366.972 46 -13 7 2 4127.42 463.803 37 -13 7 2 2784.48 386.854 51 -13 7 2 3141.49 407.703 46 -13 7 1 2987.35 411.160 51 -13 7 1 3246.52 425.310 46 -13 7 0 4891.91 454.837 46 -13 7 0 3601.85 432.067 51 -13 7 -1 4294.51 492.992 37 -13 7 -1 3622.74 419.044 46 -13 7 -1 3054.76 406.417 51 -13 7 -2 2851.63 411.207 17 -13 7 -2 2449.83 393.555 46 -13 7 -3 493.691 363.936 17 -13 7 -3 655.042 346.719 46 -13 7 -4 433.240 327.960 46 -13 7 -4 513.172 374.862 43 -13 7 -5 297.701 352.104 43 -13 8 3 1000.05 320.952 46 -13 8 2 631.799 311.331 51 -13 8 2 711.114 339.095 46 -13 8 1 1150.42 329.595 51 -13 8 1 760.504 348.621 46 -13 8 0 513.254 323.167 51 -13 8 0 302.090 344.620 46 -13 8 -1 1737.58 357.288 46 -13 8 -2 1919.79 347.334 46 -13 8 -2 1483.79 362.113 43 -13 8 -3 1758.33 327.564 46 -13 8 -3 1546.29 360.975 43 -13 8 -4 1466.97 338.313 43 -14 0 0 5269.69 510.482 37 14 0 0 5627.11 537.522 49 -14 0 1 704.071 432.845 37 -14 0 -1 472.464 392.938 37 14 0 1 20.5157 435.731 49 14 0 -1 191.279 428.603 49 -14 0 2 4206.17 498.452 37 14 0 -2 3460.62 487.340 49 -14 0 3 514.217 420.480 37 14 0 -3-4.68033 408.434 49 -14 0 4 1640.88 429.270 37 14 0 -4 1144.82 414.881 49 -14 0 5 317.107 368.815 37 14 0 -5 229.125 356.209 49 -14 1 5 222.682 358.751 37 14 1 -5 669.153 358.470 49 -14 1 4 1259.24 414.646 37 14 1 -4 1045.87 400.290 49 -14 1 3 468.832 412.316 37 14 1 -3 202.196 405.547 49 -14 1 2 391.025 430.485 37 14 1 -2 262.131 422.589 49 -14 1 1 60.1811 431.930 37 14 -1 1 745.274 430.196 49 14 1 -1 333.102 435.651 49 -14 1 0 292.519 415.944 37 -14 -1 0 313.443 407.928 37 14 -1 0 353.217 423.864 49 14 1 0 636.094 438.001 49 -14 -1 1 18.8730 427.632 37 -14 1 -1 539.857 396.924 37 14 1 1 570.157 440.053 49 14 -1 -1 466.317 420.543 49 -14 -1 2-9.48113 429.104 37 14 -1 -2 316.789 425.928 49 -14 -1 3 378.256 419.895 37 14 -1 -3 929.062 409.185 49 -14 -1 4 1216.17 420.180 37 14 -1 -4 1384.85 413.736 49 -14 -1 5 244.957 375.546 37 14 -1 -5-324.507 357.787 49 14 2 -5 624.665 365.209 49 -14 2 4 714.269 381.272 37 14 2 -4 409.263 386.077 49 -14 2 3 2073.38 433.078 37 14 2 -3 1433.11 419.286 49 -14 2 2 2460.84 450.596 37 14 2 -2 1998.89 442.437 49 -14 2 1 386.401 421.872 37 14 2 -1 377.921 424.991 49 -14 2 0 2761.33 443.215 37 14 -2 0 2765.87 465.881 49 14 2 0 1939.11 454.182 49 -14 2 -1 785.381 405.803 37 14 2 1 1117.49 428.551 49 14 -2 -1 546.777 421.980 49 -14 -2 2 1533.91 431.620 37 -14 2 -2 2851.06 423.526 37 14 -2 -2 2665.22 458.739 49 -14 -2 3 1929.43 430.856 37 14 -2 -3 1436.73 428.556 49 14 -2 -4 790.866 386.442 49 -14 3 4 189.800 347.520 37 -14 3 3 3507.46 429.432 37 14 3 -3 2273.55 417.615 49 -14 3 2 86.8506 386.877 37 14 3 -2-293.908 392.181 49 -14 3 1 5217.41 466.740 37 14 3 -1 3564.30 461.012 49 -14 3 0 618.011 400.221 37 -14 3 -1 4855.53 463.136 37 -14 3 -2 243.161 373.520 37 14 -3 -2 638.228 399.966 49 14 -3 -3 2837.16 434.399 49 -14 4 2 1037.67 356.690 37 -14 4 1 51.7926 354.435 37 -14 4 0 230.339 366.085 37 -14 4 -1 898.983 372.693 37 -14 4 -2 682.711 357.966 37 -14 5 0 472.372 326.181 37 0 0 0 0.00 0.00 0 TITL amd-r1392 in P2(1)2(1)2(1) REM P2(1)2(1)2(1) (#19 in standard setting) CELL 1.54184 11.504346 16.033967 17.867167 90.0000 90.0000 90.0000 ZERR 4.00 0.000285 0.000415 0.000458 0.0000 0.0000 0.0000 LATT -1 SYMM -x+1/2,-y, z+1/2 SYMM -x, y+1/2,-z+1/2 SYMM x+1/2,-y+1/2,-z SFAC C H N O Cl Ru UNIT 140.00 180.00 4.00 4.00 8.00 4.00 REM CrysAlisPro recorded range (K): Min=139.9; max=140.0; aver:140.0 TEMP -133 SIZE 0.06 0.12 0.17 TREF HKLF 4 END ; _shelx_hkl_checksum 16286 _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 - Detector area scaling - B-factor correction ; _oxdiff_exptl_absorpt_empirical_full_max 1.648 _oxdiff_exptl_absorpt_empirical_full_min 0.644 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -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 Ru1 Ru 0.81872(5) 0.43121(4) 0.45786(3) 0.03783(19) Uani 1 1 d . . . . . Cl1 Cl 0.8392(2) 0.55130(13) 0.38536(12) 0.0499(5) Uani 1 1 d . . . . . Cl2 Cl 0.8613(2) 0.34469(14) 0.55934(12) 0.0500(5) Uani 1 1 d . . . . . O1 O 0.9900(5) 0.3870(4) 0.4029(3) 0.0443(14) Uani 1 1 d . . . . . N1 N 0.6656(6) 0.5081(4) 0.5647(3) 0.0346(14) Uani 1 1 d . . . . . C1 C 0.4085(7) 0.3783(6) 0.3013(5) 0.046(2) Uani 1 1 d . . . . . C2 C 0.3553(9) 0.3116(7) 0.2616(5) 0.056(2) Uani 1 1 d . . . . . H2 H 0.347585 0.258145 0.284046 0.067 Uiso 1 1 calc R U . . . C3 C 0.3152(10) 0.3257(8) 0.1900(5) 0.064(3) Uani 1 1 d . . . . . H3 H 0.283034 0.281235 0.161653 0.077 Uiso 1 1 calc R U . . . C4 C 0.3220(9) 0.4063(7) 0.1591(5) 0.062(3) Uani 1 1 d . . . . . H4 H 0.290642 0.415991 0.110675 0.075 Uiso 1 1 calc R U . . . C5 C 0.3718(8) 0.4700(7) 0.1962(5) 0.053(2) Uani 1 1 d . . . . . H5 H 0.375539 0.523611 0.173648 0.063 Uiso 1 1 calc R U . . . C6 C 0.4192(7) 0.4576(6) 0.2694(5) 0.046(2) Uani 1 1 d . . . . . C7 C 0.4767(8) 0.5216(6) 0.3087(5) 0.048(2) Uani 1 1 d . . . . . H7 H 0.485685 0.575136 0.286779 0.058 Uiso 1 1 calc R U . . . C8 C 0.5199(7) 0.5059(5) 0.3791(5) 0.0416(19) Uani 1 1 d . . . . . H8 H 0.560001 0.549221 0.404638 0.050 Uiso 1 1 calc R U . . . C9 C 0.5068(6) 0.4279(6) 0.4150(4) 0.0366(16) Uani 1 1 d . . . . . C10 C 0.4511(8) 0.3649(6) 0.3762(5) 0.046(2) Uani 1 1 d . . . . . H10 H 0.440844 0.311978 0.399232 0.055 Uiso 1 1 calc R U . . . C11 C 0.5530(7) 0.4164(5) 0.4941(5) 0.0391(18) Uani 1 1 d . . . . . C12 C 0.4728(7) 0.4679(5) 0.5480(5) 0.0428(18) Uani 1 1 d . . . . . H12A H 0.434591 0.514080 0.520622 0.051 Uiso 1 1 calc R U . . . H12B H 0.412143 0.431839 0.570200 0.051 Uiso 1 1 calc R U . . . C13 C 0.5537(7) 0.5023(5) 0.6091(4) 0.0370(17) Uani 1 1 d . . . . . C14 C 0.6716(8) 0.4588(4) 0.5065(4) 0.0384(17) Uani 1 1 d . . . . . C15 C 0.5592(9) 0.3244(5) 0.5176(5) 0.048(2) Uani 1 1 d . . . . . H15A H 0.480505 0.301080 0.519619 0.072 Uiso 1 1 calc R U . . . H15B H 0.595440 0.320112 0.567097 0.072 Uiso 1 1 calc R U . . . H15C H 0.605606 0.293210 0.481092 0.072 Uiso 1 1 calc R U . . . C16 C 0.5662(9) 0.4419(6) 0.6748(5) 0.049(2) Uani 1 1 d . . . . . H16A H 0.606416 0.391393 0.657995 0.074 Uiso 1 1 calc R U . . . H16B H 0.489002 0.427125 0.693756 0.074 Uiso 1 1 calc R U . . . H16C H 0.611300 0.468550 0.714726 0.074 Uiso 1 1 calc R U . . . C17 C 0.5090(7) 0.5853(5) 0.6397(5) 0.0421(19) Uani 1 1 d . . . . . H17A H 0.558757 0.603599 0.681066 0.063 Uiso 1 1 calc R U . . . H17B H 0.429132 0.578325 0.657785 0.063 Uiso 1 1 calc R U . . . H17C H 0.510306 0.627341 0.599854 0.063 Uiso 1 1 calc R U . . . C18 C 0.7696(6) 0.5556(5) 0.5905(4) 0.0370(17) Uani 1 1 d . . . . . H18 H 0.834087 0.540180 0.555696 0.044 Uiso 1 1 calc R U . . . C19 C 0.7562(7) 0.6504(5) 0.5845(5) 0.0380(17) Uani 1 1 d . . . . . H19 H 0.712541 0.670052 0.629540 0.046 Uiso 1 1 calc R U . . . C20 C 0.6924(8) 0.6825(5) 0.5148(5) 0.0411(18) Uani 1 1 d . . . . . H20A H 0.735573 0.665388 0.469373 0.049 Uiso 1 1 calc R U . . . H20B H 0.613991 0.657171 0.512457 0.049 Uiso 1 1 calc R U . . . C21 C 0.6813(9) 0.7767(5) 0.5162(5) 0.0473(19) Uani 1 1 d . . . . . H21A H 0.640624 0.795738 0.470455 0.057 Uiso 1 1 calc R U . . . H21B H 0.634068 0.793638 0.560005 0.057 Uiso 1 1 calc R U . . . C22 C 0.7996(9) 0.8180(6) 0.5206(6) 0.058(3) Uani 1 1 d . . . . . H22A H 0.842790 0.807001 0.473684 0.070 Uiso 1 1 calc R U . . . H22B H 0.789454 0.879031 0.525387 0.070 Uiso 1 1 calc R U . . . C23 C 0.8688(9) 0.7865(6) 0.5855(6) 0.058(3) Uani 1 1 d . . . . . H23A H 0.832148 0.805536 0.632634 0.069 Uiso 1 1 calc R U . . . H23B H 0.948082 0.810407 0.583294 0.069 Uiso 1 1 calc R U . . . C24 C 0.8774(8) 0.6905(6) 0.5862(6) 0.053(2) Uani 1 1 d . . . . . H24A H 0.922607 0.671625 0.542246 0.064 Uiso 1 1 calc R U . . . H24B H 0.919054 0.672291 0.631880 0.064 Uiso 1 1 calc R U . . . C25 C 0.7671(8) 0.3584(6) 0.3870(5) 0.047(2) Uani 1 1 d . . . . . H25 H 0.685993 0.348625 0.382094 0.056 Uiso 1 1 calc R U . . . C26 C 0.8467(8) 0.3153(5) 0.3384(5) 0.0418(19) Uani 1 1 d . . . . . C27 C 0.9654(8) 0.3318(5) 0.3464(4) 0.043(2) Uani 1 1 d . . . . . C28 C 1.0478(9) 0.2935(5) 0.3008(5) 0.047(2) Uani 1 1 d . . . . . H28 H 1.128337 0.305172 0.306201 0.056 Uiso 1 1 calc R U . . . C29 C 1.0079(9) 0.2369(6) 0.2464(5) 0.051(2) Uani 1 1 d . . . . . H29 H 1.062462 0.210875 0.214076 0.061 Uiso 1 1 calc R U . . . C30 C 0.8929(9) 0.2186(5) 0.2391(5) 0.049(2) Uani 1 1 d . . . . . H30 H 0.868170 0.178864 0.203059 0.058 Uiso 1 1 calc R U . . . C31 C 0.8119(10) 0.2580(5) 0.2843(5) 0.050(2) Uani 1 1 d . . . . . H31 H 0.731640 0.245801 0.278272 0.059 Uiso 1 1 calc R U . . . C32 C 0.8098(9) 0.5295(6) 0.6687(5) 0.050(2) Uani 1 1 d . . . . . H32A H 0.756862 0.552744 0.706315 0.074 Uiso 1 1 calc R U . . . H32B H 0.888597 0.550506 0.677614 0.074 Uiso 1 1 calc R U . . . H32C H 0.809696 0.468511 0.672384 0.074 Uiso 1 1 calc R U . . . C33 C 1.1106(8) 0.4158(7) 0.4134(6) 0.055(3) Uani 1 1 d . . . . . H33 H 1.164591 0.367382 0.407641 0.066 Uiso 1 1 calc R U . . . C34 C 1.1398(10) 0.4806(7) 0.3557(7) 0.067(3) Uani 1 1 d . . . . . H34A H 1.141146 0.454823 0.306019 0.101 Uiso 1 1 calc R U . . . H34B H 1.216265 0.504529 0.366792 0.101 Uiso 1 1 calc R U . . . H34C H 1.080960 0.524827 0.356755 0.101 Uiso 1 1 calc R U . . . C35 C 1.1178(9) 0.4482(9) 0.4930(6) 0.072(4) Uani 1 1 d . . . . . H35A H 1.062713 0.494288 0.499438 0.108 Uiso 1 1 calc R U . . . H35B H 1.196822 0.468071 0.502997 0.108 Uiso 1 1 calc R U . . . H35C H 1.098449 0.403208 0.527943 0.108 Uiso 1 1 calc R U . . . 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 Ru1 0.0367(3) 0.0385(3) 0.0383(3) -0.0021(3) 0.0011(3) 0.0050(3) Cl1 0.0559(13) 0.0468(11) 0.0470(10) 0.0053(9) 0.0117(9) 0.0056(9) Cl2 0.0547(12) 0.0483(11) 0.0468(12) 0.0063(9) 0.0011(9) 0.0174(9) O1 0.032(3) 0.055(3) 0.046(3) -0.010(3) 0.007(3) 0.005(3) N1 0.033(3) 0.036(3) 0.035(3) 0.001(2) -0.004(3) -0.004(3) C1 0.033(4) 0.060(5) 0.045(5) -0.006(4) -0.001(4) -0.009(4) C2 0.049(5) 0.068(6) 0.050(5) -0.006(5) 0.006(4) -0.009(5) C3 0.049(5) 0.095(8) 0.049(5) -0.010(5) 0.005(5) -0.013(6) C4 0.044(5) 0.096(8) 0.047(5) -0.004(5) -0.001(5) 0.000(6) C5 0.044(5) 0.076(7) 0.038(4) 0.002(4) 0.002(4) 0.003(5) C6 0.035(4) 0.065(6) 0.038(4) -0.001(4) -0.005(4) 0.005(4) C7 0.048(5) 0.056(5) 0.040(4) 0.002(4) 0.002(4) 0.010(4) C8 0.036(4) 0.045(5) 0.044(4) 0.002(4) -0.004(4) 0.008(4) C9 0.031(4) 0.041(4) 0.038(4) -0.001(4) -0.001(3) 0.002(4) C10 0.041(5) 0.052(5) 0.045(5) -0.002(4) -0.001(4) -0.008(4) C11 0.044(4) 0.034(4) 0.039(4) -0.001(3) -0.005(4) -0.001(3) C12 0.041(4) 0.050(4) 0.037(4) 0.004(4) -0.003(4) -0.008(3) C13 0.031(4) 0.046(4) 0.034(4) 0.000(3) -0.001(3) -0.005(3) C14 0.052(5) 0.030(3) 0.034(4) 0.004(3) -0.008(4) 0.003(4) C15 0.056(5) 0.044(5) 0.044(5) 0.000(4) -0.003(4) -0.008(4) C16 0.061(6) 0.049(5) 0.038(4) 0.005(4) 0.002(4) -0.005(5) C17 0.034(4) 0.046(5) 0.046(4) -0.003(4) 0.005(3) 0.000(3) C18 0.027(3) 0.042(5) 0.042(4) -0.004(3) -0.003(3) -0.002(3) C19 0.034(4) 0.039(4) 0.041(4) -0.003(3) -0.002(3) -0.003(3) C20 0.038(4) 0.040(4) 0.046(4) -0.001(3) 0.004(4) -0.004(4) C21 0.047(5) 0.042(4) 0.052(5) 0.006(3) 0.003(4) 0.003(4) C22 0.055(6) 0.041(4) 0.079(7) 0.004(4) 0.008(5) -0.007(4) C23 0.049(5) 0.043(5) 0.081(7) -0.010(5) 0.002(5) -0.011(4) C24 0.034(4) 0.052(5) 0.075(7) -0.006(5) -0.002(4) -0.009(4) C25 0.041(4) 0.047(5) 0.052(5) 0.007(4) 0.007(4) 0.011(4) C26 0.050(5) 0.034(4) 0.041(4) -0.003(3) 0.000(4) 0.008(3) C27 0.054(5) 0.041(4) 0.034(4) -0.002(3) 0.007(4) 0.017(4) C28 0.057(5) 0.045(5) 0.039(4) 0.008(4) 0.004(4) 0.014(4) C29 0.068(6) 0.049(5) 0.035(4) 0.005(4) 0.008(4) 0.019(5) C30 0.066(6) 0.039(5) 0.041(5) -0.004(4) -0.001(4) 0.010(4) C31 0.057(5) 0.045(4) 0.047(5) 0.001(4) -0.006(5) 0.012(4) C32 0.046(5) 0.058(5) 0.045(4) 0.000(4) -0.015(4) 0.002(4) C33 0.046(5) 0.061(7) 0.060(6) -0.009(5) 0.006(4) 0.005(4) C34 0.053(6) 0.068(7) 0.081(8) -0.005(6) 0.010(5) -0.007(5) C35 0.043(5) 0.098(10) 0.074(7) -0.018(7) -0.003(5) 0.002(6) 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' 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' Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -1 -2 -1 0.0530 -1 -1 0 0.0648 0 1 1 0.0458 1 2 1 0.0505 2 1 -1 0.0598 1 -1 -2 0.0574 -2 1 0 0.0551 2 -1 0 0.0437 1 -2 -1 0.0427 0 -9 -7 0.0362 0 -1 0 0.0267 0 1 0 0.0294 2 -1 11 0.0585 -2 0 -11 0.0648 -2 -2 1 0.0648 -1 6 9 0.0556 -3 8 6 0.0455 -6 5 -2 0.0511 1 0 1 0.0598 5 -8 -1 0.0381 -2 1 -2 0.0521 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 Cl1 Ru1 Cl2 154.22(9) . . ? O1 Ru1 Cl1 86.05(16) . . ? O1 Ru1 Cl2 88.21(16) . . ? C14 Ru1 Cl1 98.5(2) . . ? C14 Ru1 Cl2 88.3(2) . . ? C14 Ru1 O1 175.2(3) . . ? C25 Ru1 Cl1 100.2(3) . . ? C25 Ru1 Cl2 103.1(3) . . ? C25 Ru1 O1 77.7(3) . . ? C25 Ru1 C14 99.9(4) . . ? C27 O1 Ru1 109.5(5) . . ? C27 O1 C33 119.4(7) . . ? C33 O1 Ru1 130.7(5) . . ? C14 N1 C13 115.0(7) . . ? C14 N1 C18 120.8(7) . . ? C18 N1 C13 123.5(6) . . ? C2 C1 C10 119.8(9) . . ? C6 C1 C2 121.3(9) . . ? C6 C1 C10 119.0(8) . . ? C1 C2 H2 120.6 . . ? C3 C2 C1 118.9(10) . . ? C3 C2 H2 120.6 . . ? C2 C3 H3 120.1 . . ? C2 C3 C4 119.8(10) . . ? C4 C3 H3 120.1 . . ? C3 C4 H4 119.1 . . ? C5 C4 C3 121.8(10) . . ? C5 C4 H4 119.1 . . ? C4 C5 H5 119.8 . . ? C4 C5 C6 120.5(10) . . ? C6 C5 H5 119.8 . . ? C1 C6 C5 117.7(9) . . ? C1 C6 C7 120.0(8) . . ? C7 C6 C5 122.3(9) . . ? C6 C7 H7 120.2 . . ? C8 C7 C6 119.6(9) . . ? C8 C7 H7 120.2 . . ? C7 C8 H8 118.8 . . ? C7 C8 C9 122.5(8) . . ? C9 C8 H8 118.8 . . ? C8 C9 C11 119.4(8) . . ? C10 C9 C8 118.0(8) . . ? C10 C9 C11 122.6(8) . . ? C1 C10 H10 119.6 . . ? C9 C10 C1 120.9(8) . . ? C9 C10 H10 119.6 . . ? C9 C11 C12 107.5(6) . . ? C9 C11 C14 112.9(7) . . ? C9 C11 C15 112.8(7) . . ? C14 C11 C12 101.5(6) . . ? C15 C11 C12 111.5(7) . . ? C15 C11 C14 110.1(7) . . ? C11 C12 H12A 110.6 . . ? C11 C12 H12B 110.6 . . ? H12A C12 H12B 108.7 . . ? C13 C12 C11 105.6(7) . . ? C13 C12 H12A 110.6 . . ? C13 C12 H12B 110.6 . . ? N1 C13 C12 99.5(6) . . ? N1 C13 C16 111.1(7) . . ? N1 C13 C17 114.8(6) . . ? C16 C13 C12 112.1(7) . . ? C17 C13 C12 111.3(7) . . ? C17 C13 C16 108.0(7) . . ? N1 C14 Ru1 122.4(7) . . ? N1 C14 C11 109.5(8) . . ? C11 C14 Ru1 127.2(5) . . ? C11 C15 H15A 109.5 . . ? C11 C15 H15B 109.5 . . ? C11 C15 H15C 109.5 . . ? H15A C15 H15B 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? C13 C16 H16A 109.5 . . ? C13 C16 H16B 109.5 . . ? C13 C16 H16C 109.5 . . ? H16A C16 H16B 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C13 C17 H17A 109.5 . . ? C13 C17 H17B 109.5 . . ? C13 C17 H17C 109.5 . . ? H17A C17 H17B 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? N1 C18 H18 106.0 . . ? N1 C18 C19 113.9(6) . . ? N1 C18 C32 112.7(7) . . ? C19 C18 H18 106.0 . . ? C32 C18 H18 106.0 . . ? C32 C18 C19 111.5(7) . . ? C18 C19 H19 107.9 . . ? C18 C19 C20 116.0(6) . . ? C18 C19 C24 108.9(7) . . ? C20 C19 H19 107.9 . . ? C20 C19 C24 108.1(7) . . ? C24 C19 H19 107.9 . . ? C19 C20 H20A 109.4 . . ? C19 C20 H20B 109.4 . . ? H20A C20 H20B 108.0 . . ? C21 C20 C19 111.2(7) . . ? C21 C20 H20A 109.4 . . ? C21 C20 H20B 109.4 . . ? C20 C21 H21A 109.4 . . ? C20 C21 H21B 109.4 . . ? H21A C21 H21B 108.0 . . ? C22 C21 C20 111.1(8) . . ? C22 C21 H21A 109.4 . . ? C22 C21 H21B 109.4 . . ? C21 C22 H22A 109.3 . . ? C21 C22 H22B 109.3 . . ? H22A C22 H22B 107.9 . . ? C23 C22 C21 111.8(8) . . ? C23 C22 H22A 109.3 . . ? C23 C22 H22B 109.3 . . ? C22 C23 H23A 109.2 . . ? C22 C23 H23B 109.2 . . ? C22 C23 C24 112.2(8) . . ? H23A C23 H23B 107.9 . . ? C24 C23 H23A 109.2 . . ? C24 C23 H23B 109.2 . . ? C19 C24 C23 111.1(8) . . ? C19 C24 H24A 109.4 . . ? C19 C24 H24B 109.4 . . ? C23 C24 H24A 109.4 . . ? C23 C24 H24B 109.4 . . ? H24A C24 H24B 108.0 . . ? Ru1 C25 H25 119.4 . . ? C26 C25 Ru1 121.3(7) . . ? C26 C25 H25 119.4 . . ? C27 C26 C25 118.0(8) . . ? C31 C26 C25 123.5(9) . . ? C31 C26 C27 118.4(8) . . ? O1 C27 C26 113.5(7) . . ? O1 C27 C28 125.0(9) . . ? C28 C27 C26 121.5(8) . . ? C27 C28 H28 121.1 . . ? C27 C28 C29 117.8(9) . . ? C29 C28 H28 121.1 . . ? C28 C29 H29 119.2 . . ? C30 C29 C28 121.5(9) . . ? C30 C29 H29 119.2 . . ? C29 C30 H30 120.0 . . ? C29 C30 C31 120.0(9) . . ? C31 C30 H30 120.0 . . ? C26 C31 H31 119.6 . . ? C30 C31 C26 120.8(10) . . ? C30 C31 H31 119.6 . . ? C18 C32 H32A 109.5 . . ? C18 C32 H32B 109.5 . . ? C18 C32 H32C 109.5 . . ? H32A C32 H32B 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? O1 C33 H33 109.2 . . ? O1 C33 C34 109.9(8) . . ? O1 C33 C35 106.1(8) . . ? C34 C33 H33 109.2 . . ? C34 C33 C35 113.2(10) . . ? C35 C33 H33 109.2 . . ? C33 C34 H34A 109.5 . . ? C33 C34 H34B 109.5 . . ? C33 C34 H34C 109.5 . . ? H34A C34 H34B 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C33 C35 H35A 109.5 . . ? C33 C35 H35B 109.5 . . ? C33 C35 H35C 109.5 . . ? H35A C35 H35B 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 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 Ru1 Cl1 2.333(2) . ? Ru1 Cl2 2.335(2) . ? Ru1 O1 2.313(5) . ? Ru1 C14 1.953(9) . ? Ru1 C25 1.822(10) . ? O1 C27 1.373(10) . ? O1 C33 1.473(11) . ? N1 C13 1.515(10) . ? N1 C14 1.309(10) . ? N1 C18 1.491(9) . ? C1 C2 1.422(13) . ? C1 C6 1.399(13) . ? C1 C10 1.442(12) . ? C2 H2 0.9500 . ? C2 C3 1.379(14) . ? C3 H3 0.9500 . ? C3 C4 1.407(15) . ? C4 H4 0.9500 . ? C4 C5 1.346(14) . ? C5 H5 0.9500 . ? C5 C6 1.431(12) . ? C6 C7 1.408(13) . ? C7 H7 0.9500 . ? C7 C8 1.375(12) . ? C8 H8 0.9500 . ? C8 C9 1.413(13) . ? C9 C10 1.383(12) . ? C9 C11 1.522(10) . ? C10 H10 0.9500 . ? C11 C12 1.569(12) . ? C11 C14 1.540(12) . ? C11 C15 1.535(12) . ? C12 H12A 0.9900 . ? C12 H12B 0.9900 . ? C12 C13 1.536(11) . ? C13 C16 1.528(11) . ? C13 C17 1.528(11) . ? C15 H15A 0.9800 . ? C15 H15B 0.9800 . ? C15 H15C 0.9800 . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C17 H17C 0.9800 . ? C18 H18 1.0000 . ? C18 C19 1.531(11) . ? C18 C32 1.530(11) . ? C19 H19 1.0000 . ? C19 C20 1.535(11) . ? C19 C24 1.536(11) . ? C20 H20A 0.9900 . ? C20 H20B 0.9900 . ? C20 C21 1.517(11) . ? C21 H21A 0.9900 . ? C21 H21B 0.9900 . ? C21 C22 1.516(13) . ? C22 H22A 0.9900 . ? C22 H22B 0.9900 . ? C22 C23 1.495(15) . ? C23 H23A 0.9900 . ? C23 H23B 0.9900 . ? C23 C24 1.542(13) . ? C24 H24A 0.9900 . ? C24 H24B 0.9900 . ? C25 H25 0.9500 . ? C25 C26 1.439(12) . ? C26 C27 1.397(13) . ? C26 C31 1.393(12) . ? C27 C28 1.393(12) . ? C28 H28 0.9500 . ? C28 C29 1.405(13) . ? C29 H29 0.9500 . ? C29 C30 1.362(14) . ? C30 H30 0.9500 . ? C30 C31 1.385(13) . ? C31 H31 0.9500 . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? C33 H33 1.0000 . ? C33 C34 1.501(15) . ? C33 C35 1.516(15) . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C35 H35A 0.9800 . ? C35 H35B 0.9800 . ? C35 H35C 0.9800 . ? 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 Ru1 O1 C27 C26 -1.7(8) . . . . ? Ru1 O1 C27 C28 179.2(7) . . . . ? Ru1 O1 C33 C34 -93.9(9) . . . . ? Ru1 O1 C33 C35 28.9(12) . . . . ? Ru1 C25 C26 C27 -0.8(11) . . . . ? Ru1 C25 C26 C31 178.9(7) . . . . ? Cl1 Ru1 C25 C26 83.5(7) . . . . ? Cl2 Ru1 C25 C26 -85.3(7) . . . . ? O1 Ru1 C25 C26 -0.1(6) . . . . ? O1 C27 C28 C29 178.6(7) . . . . ? N1 C18 C19 C20 -38.8(10) . . . . ? N1 C18 C19 C24 -160.9(7) . . . . ? C1 C2 C3 C4 -3.2(15) . . . . ? C1 C6 C7 C8 -1.4(13) . . . . ? C2 C1 C6 C5 1.8(13) . . . . ? C2 C1 C6 C7 -177.3(9) . . . . ? C2 C1 C10 C9 177.7(9) . . . . ? C2 C3 C4 C5 3.1(17) . . . . ? C3 C4 C5 C6 -0.4(16) . . . . ? C4 C5 C6 C1 -2.0(14) . . . . ? C4 C5 C6 C7 177.0(9) . . . . ? C5 C6 C7 C8 179.6(8) . . . . ? C6 C1 C2 C3 0.8(14) . . . . ? C6 C1 C10 C9 -3.0(13) . . . . ? C6 C7 C8 C9 -1.4(13) . . . . ? C7 C8 C9 C10 1.8(12) . . . . ? C7 C8 C9 C11 -177.7(8) . . . . ? C8 C9 C10 C1 0.4(13) . . . . ? C8 C9 C11 C12 70.8(9) . . . . ? C8 C9 C11 C14 -40.4(10) . . . . ? C8 C9 C11 C15 -166.0(8) . . . . ? C9 C11 C12 C13 -144.4(7) . . . . ? C9 C11 C14 Ru1 -64.4(9) . . . . ? C9 C11 C14 N1 126.5(7) . . . . ? C10 C1 C2 C3 -180.0(9) . . . . ? C10 C1 C6 C5 -177.5(8) . . . . ? C10 C1 C6 C7 3.5(13) . . . . ? C10 C9 C11 C12 -108.8(9) . . . . ? C10 C9 C11 C14 140.1(8) . . . . ? C10 C9 C11 C15 14.5(11) . . . . ? C11 C9 C10 C1 179.9(8) . . . . ? C11 C12 C13 N1 28.8(8) . . . . ? C11 C12 C13 C16 -88.7(8) . . . . ? C11 C12 C13 C17 150.2(7) . . . . ? C12 C11 C14 Ru1 -179.2(5) . . . . ? C12 C11 C14 N1 11.8(8) . . . . ? C13 N1 C14 Ru1 -162.2(5) . . . . ? C13 N1 C14 C11 7.4(8) . . . . ? C13 N1 C18 C19 -74.0(9) . . . . ? C13 N1 C18 C32 54.3(10) . . . . ? C14 Ru1 C25 C26 -175.9(7) . . . . ? C14 N1 C13 C12 -23.4(8) . . . . ? C14 N1 C13 C16 94.8(8) . . . . ? C14 N1 C13 C17 -142.3(7) . . . . ? C14 N1 C18 C19 115.8(8) . . . . ? C14 N1 C18 C32 -116.0(8) . . . . ? C14 C11 C12 C13 -25.7(8) . . . . ? C15 C11 C12 C13 91.5(8) . . . . ? C15 C11 C14 Ru1 62.6(9) . . . . ? C15 C11 C14 N1 -106.5(7) . . . . ? C18 N1 C13 C12 165.8(6) . . . . ? C18 N1 C13 C16 -76.0(9) . . . . ? C18 N1 C13 C17 46.9(10) . . . . ? C18 N1 C14 Ru1 8.8(9) . . . . ? C18 N1 C14 C11 178.5(6) . . . . ? C18 C19 C20 C21 178.2(7) . . . . ? C18 C19 C24 C23 -176.3(8) . . . . ? C19 C20 C21 C22 58.5(10) . . . . ? C20 C19 C24 C23 56.9(10) . . . . ? C20 C21 C22 C23 -54.6(11) . . . . ? C21 C22 C23 C24 53.0(12) . . . . ? C22 C23 C24 C19 -55.1(12) . . . . ? C24 C19 C20 C21 -59.3(9) . . . . ? C25 C26 C27 O1 1.8(11) . . . . ? C25 C26 C27 C28 -179.1(8) . . . . ? C25 C26 C31 C30 179.9(8) . . . . ? C26 C27 C28 C29 -0.4(12) . . . . ? C27 O1 C33 C34 77.4(10) . . . . ? C27 O1 C33 C35 -159.9(9) . . . . ? C27 C26 C31 C30 -0.3(13) . . . . ? C27 C28 C29 C30 -1.2(13) . . . . ? C28 C29 C30 C31 2.0(14) . . . . ? C29 C30 C31 C26 -1.2(13) . . . . ? C31 C26 C27 O1 -178.0(7) . . . . ? C31 C26 C27 C28 1.1(13) . . . . ? C32 C18 C19 C20 -167.6(7) . . . . ? C32 C18 C19 C24 70.3(9) . . . . ? C33 O1 C27 C26 -174.7(8) . . . . ? C33 O1 C27 C28 6.3(12) . . . . ? 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 -1.0001 -1.9976 -0.9997 0.1046 0.0360 0.2234 -1.0005 -1.0010 0.0010 0.1266 0.0431 0.0966 -0.0005 0.9966 1.0006 0.0220 0.0071 -0.1268 1.0001 1.9976 0.9997 -0.1046 -0.0360 -0.2234 2.0015 1.0053 -1.0026 -0.2751 -0.0933 -0.0663 1.0014 -0.9922 -2.0023 -0.1705 -0.0573 0.1571 -2.0007 0.9980 0.0050 0.1557 0.2358 -0.0333 2.0007 -0.9980 -0.0050 -0.1557 -0.2358 0.0333 1.0007 -1.9956 -1.0037 -0.0836 -0.1500 0.1812 -0.0007 -8.5282 -6.6436 -0.0834 -0.1424 0.9863 -0.0001 -1.0000 -0.0010 0.0325 -0.0499 0.0755 0.0001 1.0000 0.0010 -0.0325 0.0499 -0.0755 2.3999 -0.8191 10.9589 0.3964 -0.7315 -0.5548 -2.3921 0.3919 -10.9923 -0.3850 0.7109 0.5885 -2.0017 -2.0053 1.0016 0.3076 0.0434 0.1418 -1.3154 6.4892 8.8255 0.3918 0.0700 -0.9174 -2.5296 8.1573 6.0190 0.2991 0.3860 -0.8727 -6.4574 4.8698 -2.1613 0.3307 0.9362 -0.1194 0.9998 -0.0024 0.9976 -0.0396 -0.1357 -0.0724 4.8955 -7.7633 -1.3285 -0.2794 -0.7865 0.5508 -1.9995 1.0049 -1.9942 0.0468 0.3213 0.0694