#------------------------------------------------------------------------------ #$Date: 2021-07-31 12:10:02 +0300 (Sat, 31 Jul 2021) $ #$Revision: 267863 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/42/1564298.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_1564298 loop_ _publ_author_name 'Kubasov, A.S.' 'Matveev, E. Yu.' 'Klyukin, I.N.' 'Nichugovskiy, A.I.' 'Zhizhin, K. Yu' 'Kuznetsov, N.T.' _publ_section_title ; Silver(I) complexes with substituted derivatives of the boron cluster anions as ligands ; _journal_name_full 'Inorganica Chimica Acta' _journal_page_first 119749 _journal_paper_doi 10.1016/j.ica.2020.119749 _journal_volume 510 _journal_year 2020 _chemical_formula_moiety 'C72 H60 Ag P4, C H2 Cl2, C5 H19 B10 O' _chemical_formula_sum 'C78 H81 Ag B10 Cl2 O P4' _chemical_formula_weight 1445.17 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _cell_angle_alpha 73.6220(10) _cell_angle_beta 85.3040(10) _cell_angle_gamma 88.5070(10) _cell_formula_units_Z 2 _cell_length_a 13.8282(4) _cell_length_b 14.4239(4) _cell_length_c 18.8399(5) _cell_measurement_reflns_used 9894 _cell_measurement_temperature 100 _cell_measurement_theta_max 33.898 _cell_measurement_theta_min 2.260 _cell_volume 3593.14(17) _computing_cell_refinement 'SAINT V8.38A (?, 2016)' _computing_data_reduction 'SAINT V8.38A (?, 2016)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 100 _diffrn_measured_fraction_theta_full 0.994 _diffrn_measured_fraction_theta_max 0.804 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0266 _diffrn_reflns_av_unetI/netI 0.0474 _diffrn_reflns_Laue_measured_fraction_full 0.994 _diffrn_reflns_Laue_measured_fraction_max 0.804 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_number 47658 _diffrn_reflns_point_group_measured_fraction_full 0.994 _diffrn_reflns_point_group_measured_fraction_max 0.804 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 34.461 _diffrn_reflns_theta_min 2.092 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.490 _exptl_absorpt_correction_T_max 0.7468 _exptl_absorpt_correction_T_min 0.6328 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0595 before and 0.0392 after correction. The Ratio of minimum to maximum transmission is 0.8473. The \l/2 correction factor is Not present.' _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.336 _exptl_crystal_description block _exptl_crystal_F_000 1496 _exptl_crystal_size_max 0.75 _exptl_crystal_size_mid 0.70 _exptl_crystal_size_min 0.50 _refine_diff_density_max 1.201 _refine_diff_density_min -1.157 _refine_diff_density_rms 0.089 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.032 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 865 _refine_ls_number_reflns 24409 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.032 _refine_ls_R_factor_all 0.0525 _refine_ls_R_factor_gt 0.0422 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0346P)^2^+3.7898P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0937 _refine_ls_wR_factor_ref 0.0983 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 20831 _reflns_number_total 24409 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file 1.cif _cod_data_source_block 19kub06_0m_a _cod_database_code 1564298 _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 0.792 _shelx_estimated_absorpt_t_min 0.710 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All B(H) groups, All C(H) groups, All C(H,H) groups 2.a Secondary CH2 refined with riding coordinates: C5(H5A,H5B), C4(H4A,H4B), C1(H1A,H1B), C3(H3A,H3B), C2(H2A,H2B), C78(H78A,H78B) 2.b Aromatic/amide H refined with riding coordinates: C17(H17), C19(H19), C47(H47), C29(H29), C53(H53), C23(H23), C77(H77), C16(H16), C65(H65), C13(H13), C64(H64), C7(H7), C26(H26), C58(H58), C44(H44), C28(H28), C76(H76), C43(H43), C71(H71), C49(H49), C14(H14), C35(H35), C15(H15), C25(H25), C67(H67), C22(H22), C52(H52), C11(H11), C55(H55), C37(H37), C59(H59), C20(H20), C75(H75), C46(H46), C8(H8), C57(H57), C51(H51), C27(H27), C73(H73), C9(H9), C70(H70), C63(H63), C50(H50), C56(H56), C31(H31), C69(H69), C45(H45), C61(H61), C21(H21), C41(H41), C74(H74), C40(H40), C33(H33), C62(H62), C10(H10), C68(H68), C34(H34), C32(H32), C38(H38), C39(H39) 2.c Boron cage BH refined with riding coordinates: B3(H3), B1(H1), B8(H8A), B4(H4), B7(H7A), B5(H5), B9(H9A), B6(H6), B10(H10A) ; _shelx_res_file ; TITL 19kub06_0m_a.res in P-1 19kub06_0m_a.res created by SHELXL-2016/6 at 12:05:25 on 04-Feb-2020 REM Old TITL 19kub06_0m in P-1 REM SHELXT solution in P-1 REM R1 0.077, Rweak 0.007, Alpha 0.026, Orientation as input REM Formula found by SHELXT: C79 Ag B10 P6 CELL 0.71073 13.8282 14.4239 18.8399 73.622 85.304 88.507 ZERR 2 0.0004 0.0004 0.0005 0.001 0.001 0.001 LATT 1 SFAC C H Ag B Cl O P UNIT 156 162 2 20 4 2 8 L.S. 10 PLAN 20 SIZE 0.5 0.7 0.75 TEMP -173.15 BOND $H LIST 6 fmap 2 ACTA OMIT 1 0 1 OMIT -1 1 0 OMIT 1 1 0 OMIT -7 -7 7 OMIT -2 -2 2 REM REM REM WGHT 0.034600 3.789800 FVAR 0.41153 AG01 3 0.278823 0.320221 0.805521 11.00000 0.01059 0.01101 = 0.01083 -0.00276 -0.00114 -0.00057 P1 7 0.271001 0.132037 0.862889 11.00000 0.01031 0.00930 = 0.01100 -0.00273 -0.00076 -0.00002 P2 7 0.239901 0.376290 0.666289 11.00000 0.01196 0.01398 = 0.00987 -0.00301 -0.00176 -0.00074 P3 7 0.152395 0.397948 0.884140 11.00000 0.01106 0.01120 = 0.01052 -0.00290 -0.00013 0.00122 P4 7 0.456081 0.379322 0.810150 11.00000 0.00930 0.01006 = 0.01444 -0.00256 -0.00156 -0.00155 CL2 5 0.131827 0.495240 0.426599 11.00000 0.03943 0.04206 = 0.03126 -0.01372 -0.00897 0.00814 CL1 5 0.160733 0.503776 0.269080 11.00000 0.06494 0.03750 = 0.02933 -0.00724 -0.00523 0.01645 O1 6 0.221150 -0.010041 0.515589 11.00000 0.01097 0.01486 = 0.01028 -0.00168 -0.00114 -0.00098 C18 1 0.293769 0.089446 0.961118 11.00000 0.01155 0.01059 = 0.01349 -0.00293 -0.00163 -0.00152 C24 1 0.127910 0.320290 0.653858 11.00000 0.01452 0.01179 = 0.01164 -0.00139 -0.00280 -0.00025 C17 1 0.347278 -0.032997 0.825043 11.00000 0.01590 0.01208 = 0.01477 -0.00342 0.00024 0.00057 AFIX 43 H17 2 0.290566 -0.065879 0.850782 11.00000 -1.20000 AFIX 0 C19 1 0.358957 0.015238 0.989242 11.00000 0.01716 0.01988 = 0.01415 -0.00573 -0.00169 0.00538 AFIX 43 H19 2 0.395150 -0.014738 0.956654 11.00000 -1.20000 AFIX 0 C12 1 0.359966 0.064748 0.820086 11.00000 0.01198 0.01157 = 0.01124 -0.00305 -0.00097 0.00113 C47 1 0.119345 0.350058 1.041858 11.00000 0.01538 0.01717 = 0.01385 -0.00225 -0.00009 0.00154 AFIX 43 H47 2 0.052624 0.342664 1.036093 11.00000 -1.20000 AFIX 0 C6 1 0.159720 0.067702 0.859713 11.00000 0.01085 0.00985 = 0.01352 -0.00351 -0.00073 -0.00008 C36 1 0.325785 0.342230 0.598654 11.00000 0.01216 0.01901 = 0.01375 -0.00690 -0.00230 -0.00123 C60 1 0.506968 0.347363 0.900786 11.00000 0.01143 0.01346 = 0.01570 -0.00247 -0.00131 -0.00077 C48 1 0.027345 0.354644 0.895118 11.00000 0.01167 0.01536 = 0.01034 -0.00290 -0.00085 0.00016 C29 1 0.120178 0.276483 0.597073 11.00000 0.01568 0.01596 = 0.01401 -0.00424 -0.00340 0.00114 AFIX 43 H29 2 0.173898 0.276715 0.562199 11.00000 -1.20000 AFIX 0 C66 1 0.551151 0.341341 0.750678 11.00000 0.01044 0.01225 = 0.01879 -0.00576 -0.00023 -0.00271 C53 1 0.011346 0.259409 0.894855 11.00000 0.01731 0.01691 = 0.01947 -0.00474 -0.00191 0.00045 AFIX 43 H53 2 0.065074 0.219566 0.888038 11.00000 -1.20000 AFIX 0 C23 1 0.242248 0.133518 1.009990 11.00000 0.01354 0.01316 = 0.01599 -0.00517 -0.00183 0.00101 AFIX 43 H23 2 0.198318 0.184687 0.991345 11.00000 -1.20000 AFIX 0 C77 1 0.556195 0.556165 0.748321 11.00000 0.01157 0.01451 = 0.01913 -0.00286 0.00093 -0.00216 AFIX 43 H77 2 0.613343 0.518470 0.747065 11.00000 -1.20000 AFIX 0 C16 1 0.417384 -0.081851 0.792431 11.00000 0.01962 0.01455 = 0.01603 -0.00648 -0.00234 0.00327 AFIX 43 H16 2 0.408854 -0.148411 0.796753 11.00000 -1.20000 AFIX 0 C65 1 0.488178 0.254951 0.948420 11.00000 0.01740 0.01309 = 0.02048 -0.00222 -0.00341 -0.00086 AFIX 43 H65 2 0.450298 0.211230 0.932970 11.00000 -1.20000 AFIX 0 C72 1 0.467228 0.510526 0.777080 11.00000 0.01291 0.01085 = 0.01430 -0.00352 -0.00109 -0.00202 C13 1 0.443937 0.111441 0.781958 11.00000 0.01206 0.01531 = 0.01825 -0.00644 -0.00120 -0.00121 AFIX 43 H13 2 0.453741 0.177472 0.778804 11.00000 -1.20000 AFIX 0 C64 1 0.524317 0.226121 1.018316 11.00000 0.02434 0.01639 = 0.01983 0.00137 -0.00509 0.00065 AFIX 43 H64 2 0.511496 0.163014 1.050125 11.00000 -1.20000 AFIX 0 C7 1 0.120485 0.084786 0.790845 11.00000 0.01538 0.01438 = 0.01362 -0.00241 -0.00318 0.00032 AFIX 43 H7 2 0.149577 0.131230 0.748715 11.00000 -1.20000 AFIX 0 C26 1 -0.038823 0.278077 0.697587 11.00000 0.01444 0.02296 = 0.02322 -0.00621 0.00154 -0.00146 AFIX 43 H26 2 -0.093354 0.279743 0.731330 11.00000 -1.20000 AFIX 0 C42 1 0.185534 0.375962 0.979432 11.00000 0.01387 0.00970 = 0.01170 -0.00242 0.00025 0.00180 C30 1 0.218924 0.504618 0.622136 11.00000 0.01942 0.01543 = 0.01136 -0.00398 -0.00081 -0.00061 C58 1 0.138480 0.686980 0.876769 11.00000 0.02039 0.01338 = 0.02299 -0.00632 -0.00179 0.00017 AFIX 43 H58 2 0.151876 0.726136 0.907731 11.00000 -1.20000 AFIX 0 C44 1 0.314753 0.370972 1.059891 11.00000 0.01764 0.01819 = 0.01843 -0.00488 -0.00515 -0.00019 AFIX 43 H44 2 0.381433 0.378296 1.065826 11.00000 -1.20000 AFIX 0 C28 1 0.033540 0.232519 0.591768 11.00000 0.01814 0.01434 = 0.02060 -0.00572 -0.00727 0.00117 AFIX 43 H28 2 0.028650 0.202278 0.553469 11.00000 -1.20000 AFIX 0 C76 1 0.560955 0.656218 0.721703 11.00000 0.01715 0.01461 = 0.02157 -0.00429 0.00220 -0.00607 AFIX 43 H76 2 0.621314 0.686808 0.702414 11.00000 -1.20000 AFIX 0 C43 1 0.283222 0.385811 0.989296 11.00000 0.01392 0.01637 = 0.01289 -0.00360 0.00043 0.00010 AFIX 43 H43 2 0.328826 0.402881 0.947234 11.00000 -1.20000 AFIX 0 C71 1 0.626369 0.278485 0.778253 11.00000 0.01109 0.01848 = 0.02557 -0.00504 -0.00144 0.00007 AFIX 43 H71 2 0.632210 0.256496 0.830230 11.00000 -1.20000 AFIX 0 C49 1 -0.052764 0.412763 0.904352 11.00000 0.01493 0.01971 = 0.01994 -0.00672 -0.00155 0.00372 AFIX 43 H49 2 -0.043307 0.477708 0.904495 11.00000 -1.20000 AFIX 0 C14 1 0.513537 0.062396 0.748475 11.00000 0.01154 0.02475 = 0.02088 -0.00874 0.00052 -0.00023 AFIX 43 H14 2 0.570093 0.095119 0.722293 11.00000 -1.20000 AFIX 0 C35 1 0.130476 0.539921 0.594368 11.00000 0.02458 0.01899 = 0.02277 -0.00119 -0.00979 0.00000 AFIX 43 H35 2 0.077931 0.496721 0.599734 11.00000 -1.20000 AFIX 0 C15 1 0.500159 -0.034252 0.753413 11.00000 0.01497 0.02382 = 0.01686 -0.00984 -0.00327 0.00606 AFIX 43 H15 2 0.547185 -0.067803 0.730313 11.00000 -1.20000 AFIX 0 C25 1 0.047620 0.320990 0.703689 11.00000 0.01770 0.01764 = 0.01531 -0.00505 -0.00093 -0.00053 AFIX 43 H25 2 0.052179 0.351092 0.742107 11.00000 -1.20000 AFIX 0 C67 1 0.544646 0.373802 0.673709 11.00000 0.01535 0.01935 = 0.01993 -0.00652 -0.00192 -0.00181 AFIX 43 H67 2 0.493489 0.416206 0.654237 11.00000 -1.20000 AFIX 0 C22 1 0.254721 0.103146 1.085600 11.00000 0.01602 0.01984 = 0.01448 -0.00743 -0.00016 -0.00073 AFIX 43 H22 2 0.219308 0.133464 1.118320 11.00000 -1.20000 AFIX 0 C52 1 -0.082198 0.222182 0.904442 11.00000 0.02341 0.02055 = 0.02333 -0.00414 -0.00266 -0.00664 AFIX 43 H52 2 -0.092059 0.157173 0.904635 11.00000 -1.20000 AFIX 0 C11 1 0.115188 0.000125 0.921388 11.00000 0.01835 0.02047 = 0.01320 -0.00301 -0.00151 -0.00645 AFIX 43 H11 2 0.140689 -0.011686 0.968454 11.00000 -1.20000 AFIX 0 C55 1 0.102349 0.572768 0.785123 11.00000 0.02014 0.01741 = 0.01246 -0.00207 -0.00083 0.00047 AFIX 43 H55 2 0.091002 0.534149 0.753306 11.00000 -1.20000 AFIX 0 C37 1 0.347266 0.400824 0.526300 11.00000 0.02096 0.02170 = 0.01532 -0.00415 0.00093 -0.00264 AFIX 43 H37 2 0.320625 0.464084 0.511190 11.00000 -1.20000 AFIX 0 C59 1 0.154253 0.587638 0.900320 11.00000 0.01631 0.01416 = 0.01673 -0.00360 -0.00216 0.00220 AFIX 43 H59 2 0.177611 0.559288 0.947690 11.00000 -1.20000 AFIX 0 C20 1 0.371082 -0.015025 1.065168 11.00000 0.02212 0.02386 = 0.01527 -0.00282 -0.00557 0.00842 AFIX 43 H20 2 0.415337 -0.065777 1.084066 11.00000 -1.20000 AFIX 0 C54 1 0.136181 0.529377 0.855231 11.00000 0.01112 0.01247 = 0.01206 -0.00210 0.00148 0.00168 C5 1 0.136617 -0.005172 0.568080 11.00000 0.01243 0.02127 = 0.01243 -0.00186 0.00148 0.00129 AFIX 23 H5A 2 0.075852 -0.014403 0.546565 11.00000 -1.20000 H5B 2 0.133892 0.058938 0.577648 11.00000 -1.20000 AFIX 0 C75 1 0.477357 0.711643 0.723280 11.00000 0.02428 0.01133 = 0.02245 -0.00429 0.00263 -0.00098 AFIX 43 H75 2 0.480519 0.779984 0.704257 11.00000 -1.20000 AFIX 0 C46 1 0.151201 0.335052 1.112632 11.00000 0.02289 0.02266 = 0.01109 -0.00260 0.00224 0.00150 AFIX 43 H46 2 0.105934 0.317621 1.154886 11.00000 -1.20000 AFIX 0 C8 1 0.039429 0.034267 0.783859 11.00000 0.01714 0.01946 = 0.01765 -0.00593 -0.00625 0.00057 AFIX 43 H8 2 0.013636 0.045852 0.736917 11.00000 -1.20000 AFIX 0 C4 1 0.146782 -0.083307 0.639541 11.00000 0.01791 0.02324 = 0.01164 -0.00011 0.00031 -0.00201 AFIX 23 H4A 2 0.145517 -0.147320 0.630000 11.00000 -1.20000 H4B 2 0.091266 -0.079880 0.675398 11.00000 -1.20000 AFIX 0 C57 1 0.103052 0.728924 0.807793 11.00000 0.01686 0.01305 = 0.02255 0.00061 0.00266 0.00120 AFIX 43 H57 2 0.090974 0.796499 0.792038 11.00000 -1.20000 AFIX 0 C51 1 -0.161036 0.280361 0.913721 11.00000 0.01486 0.03589 = 0.02025 -0.00532 -0.00286 -0.00699 AFIX 43 H51 2 -0.224987 0.255196 0.920333 11.00000 -1.20000 AFIX 0 C27 1 -0.045780 0.232592 0.642110 11.00000 0.01560 0.01561 = 0.02689 -0.00422 -0.00556 -0.00142 AFIX 43 H27 2 -0.104404 0.201777 0.638676 11.00000 -1.20000 AFIX 0 C73 1 0.384318 0.566747 0.779192 11.00000 0.01367 0.01535 = 0.02746 -0.00539 0.00448 -0.00212 AFIX 43 H73 2 0.323911 0.536506 0.798863 11.00000 -1.20000 AFIX 0 C9 1 -0.004151 -0.033217 0.845296 11.00000 0.01474 0.02532 = 0.02261 -0.00893 -0.00262 -0.00559 AFIX 43 H9 2 -0.059542 -0.067844 0.840368 11.00000 -1.20000 AFIX 0 C70 1 0.693036 0.247785 0.729832 11.00000 0.01348 0.02334 = 0.03926 -0.01174 0.00063 0.00202 AFIX 43 H70 2 0.743323 0.204021 0.749041 11.00000 -1.20000 AFIX 0 C63 1 0.579248 0.290308 1.041187 11.00000 0.02379 0.02541 = 0.01793 -0.00137 -0.00733 0.00024 AFIX 43 H63 2 0.604296 0.271001 1.088654 11.00000 -1.20000 AFIX 0 C50 1 -0.146327 0.375375 0.913327 11.00000 0.01392 0.03166 = 0.02366 -0.00781 -0.00173 0.00325 AFIX 43 H50 2 -0.200455 0.415200 0.919221 11.00000 -1.20000 AFIX 0 C56 1 0.085410 0.671469 0.762038 11.00000 0.02095 0.01920 = 0.01660 0.00140 -0.00119 0.00271 AFIX 43 H56 2 0.061678 0.700002 0.714827 11.00000 -1.20000 AFIX 0 C31 1 0.294139 0.570274 0.614343 11.00000 0.02174 0.01968 = 0.03485 -0.01130 -0.00150 -0.00166 AFIX 43 H31 2 0.354151 0.548227 0.634408 11.00000 -1.20000 AFIX 0 C69 1 0.686194 0.280973 0.653568 11.00000 0.01551 0.03338 = 0.03514 -0.01881 0.00760 -0.00339 AFIX 43 H69 2 0.731894 0.260226 0.620717 11.00000 -1.20000 AFIX 0 C45 1 0.248589 0.345415 1.121743 11.00000 0.02541 0.01663 = 0.01363 -0.00310 -0.00519 0.00130 AFIX 43 H45 2 0.269901 0.335079 1.170051 11.00000 -1.20000 AFIX 0 C61 1 0.561486 0.411361 0.924574 11.00000 0.02144 0.01848 = 0.01809 -0.00122 -0.00494 -0.00693 AFIX 43 H61 2 0.574180 0.474658 0.893057 11.00000 -1.20000 AFIX 0 C21 1 0.318896 0.028556 1.113234 11.00000 0.01812 0.02460 = 0.01325 -0.00432 -0.00332 0.00028 AFIX 43 H21 2 0.327083 0.007385 1.164910 11.00000 -1.20000 AFIX 0 C41 1 0.367014 0.250384 0.619830 11.00000 0.01534 0.02158 = 0.02255 -0.00847 -0.00349 -0.00043 AFIX 43 H41 2 0.353339 0.210269 0.668967 11.00000 -1.20000 AFIX 0 C1 1 0.313183 0.005795 0.544189 11.00000 0.01316 0.02522 = 0.01493 -0.00036 -0.00509 -0.00448 AFIX 23 H1A 2 0.312639 0.070354 0.552922 11.00000 -1.20000 H1B 2 0.367722 0.003503 0.507243 11.00000 -1.20000 AFIX 0 C3 1 0.241085 -0.072564 0.672776 11.00000 0.02238 0.02443 = 0.01344 -0.00118 -0.00360 -0.00057 AFIX 23 H3A 2 0.248384 -0.127042 0.717755 11.00000 -1.20000 H3B 2 0.239696 -0.011734 0.687369 11.00000 -1.20000 AFIX 0 C74 1 0.389297 0.667258 0.752611 11.00000 0.01964 0.01340 = 0.03815 -0.00753 0.00485 0.00251 AFIX 43 H74 2 0.332528 0.705271 0.754575 11.00000 -1.20000 AFIX 0 C40 1 0.428046 0.216485 0.569964 11.00000 0.01532 0.02498 = 0.03465 -0.01603 -0.00349 0.00164 AFIX 43 H40 2 0.456367 0.153988 0.585205 11.00000 -1.20000 AFIX 0 C33 1 0.194632 0.701392 0.549757 11.00000 0.04855 0.01391 = 0.02111 -0.00260 -0.00008 0.00240 AFIX 43 H33 2 0.186776 0.767852 0.524558 11.00000 -1.20000 AFIX 0 C62 1 0.597438 0.382493 0.994678 11.00000 0.02482 0.02529 = 0.02128 -0.00389 -0.00951 -0.00749 AFIX 43 H62 2 0.634599 0.426306 1.010601 11.00000 -1.20000 AFIX 0 C2 1 0.326820 -0.071392 0.615972 11.00000 0.01762 0.02431 = 0.01414 0.00007 -0.00590 0.00128 AFIX 23 H2A 2 0.387431 -0.058951 0.636280 11.00000 -1.20000 H2B 2 0.332897 -0.135316 0.606210 11.00000 -1.20000 AFIX 0 C10 1 0.033559 -0.049914 0.914013 11.00000 0.02130 0.02743 = 0.01866 -0.00314 0.00156 -0.01188 AFIX 43 H10 2 0.003494 -0.095663 0.956111 11.00000 -1.20000 AFIX 0 C68 1 0.612388 0.344488 0.625634 11.00000 0.01938 0.02976 = 0.02395 -0.01288 0.00242 -0.00550 AFIX 43 H68 2 0.608133 0.368001 0.573538 11.00000 -1.20000 AFIX 0 C34 1 0.118487 0.637628 0.558948 11.00000 0.03832 0.02149 = 0.02721 -0.00172 -0.01411 0.00560 AFIX 43 H34 2 0.057638 0.660743 0.540948 11.00000 -1.20000 AFIX 0 C32 1 0.282356 0.667372 0.577646 11.00000 0.03501 0.01779 = 0.04278 -0.01097 0.00697 -0.00705 AFIX 43 H32 2 0.334866 0.710792 0.571625 11.00000 -1.20000 AFIX 0 C38 1 0.407730 0.366418 0.476385 11.00000 0.02709 0.03650 = 0.01876 -0.01090 0.00692 -0.00669 AFIX 43 H38 2 0.421932 0.406314 0.427245 11.00000 -1.20000 AFIX 0 B3 4 0.110968 0.130746 0.396762 11.00000 0.01290 0.01331 = 0.01277 -0.00347 -0.00092 0.00022 AFIX 153 H3 2 0.039217 0.150095 0.421018 11.00000 -1.20000 AFIX 0 C39 1 0.447212 0.274517 0.497941 11.00000 0.01723 0.03749 = 0.03095 -0.02141 0.00543 -0.00382 AFIX 43 H39 2 0.487487 0.251147 0.463375 11.00000 -1.20000 AFIX 0 B1 4 0.213544 0.175892 0.419483 11.00000 0.01663 0.01287 = 0.01275 -0.00336 0.00070 -0.00242 AFIX 153 H1 2 0.222079 0.223332 0.456473 11.00000 -1.20000 AFIX 0 B8 4 0.257074 0.114821 0.284608 11.00000 0.01347 0.01413 = 0.01055 -0.00232 -0.00043 -0.00022 AFIX 153 H8A 2 0.304311 0.139247 0.231616 11.00000 -1.20000 AFIX 0 B2 4 0.209680 0.054802 0.436381 11.00000 0.01164 0.01213 = 0.00842 -0.00067 -0.00152 -0.00050 B4 4 0.200202 0.203681 0.327298 11.00000 0.01453 0.01293 = 0.01250 -0.00262 -0.00040 -0.00076 AFIX 153 H4 2 0.199035 0.281968 0.295403 11.00000 -1.20000 AFIX 0 B7 4 0.264067 0.007309 0.364455 11.00000 0.01200 0.01300 = 0.01322 -0.00353 -0.00060 -0.00052 AFIX 153 H7A 2 0.316573 -0.054594 0.376133 11.00000 -1.20000 AFIX 0 B5 4 0.299459 0.126299 0.370423 11.00000 0.01314 0.01285 = 0.01145 -0.00138 -0.00099 -0.00270 AFIX 153 H5 2 0.377529 0.142127 0.373858 11.00000 -1.20000 AFIX 0 B9 4 0.124431 0.116898 0.303283 11.00000 0.01213 0.01573 = 0.01191 -0.00349 -0.00180 -0.00027 AFIX 153 H9A 2 0.065245 0.142749 0.265147 11.00000 -1.20000 AFIX 0 B6 4 0.131405 0.010198 0.382774 11.00000 0.01207 0.01317 = 0.01385 -0.00380 -0.00142 -0.00224 AFIX 153 H6 2 0.078456 -0.049475 0.408940 11.00000 -1.20000 AFIX 0 B10 4 0.186586 0.015377 0.297385 11.00000 0.01452 0.01635 = 0.01326 -0.00580 -0.00228 -0.00034 AFIX 153 H10A 2 0.178750 -0.032243 0.260424 11.00000 -1.20000 AFIX 0 C78 1 0.167280 0.434546 0.361539 11.00000 0.12910 0.05089 = 0.03672 -0.01703 -0.01858 0.04545 AFIX 23 H78A 2 0.125791 0.376806 0.370723 11.00000 -1.20000 H78B 2 0.234922 0.411815 0.368641 11.00000 -1.20000 AFIX 0 HKLF 4 REM 19kub06_0m_a.res in P-1 REM R1 = 0.0422 for 20831 Fo > 4sig(Fo) and 0.0525 for all 24409 data REM 865 parameters refined using 0 restraints END WGHT 0.0346 3.7818 REM Highest difference peak 1.201, deepest hole -1.157, 1-sigma level 0.089 Q1 1 0.2833 0.3547 0.7655 11.00000 0.05 1.20 Q2 1 0.2682 0.2899 0.8471 11.00000 0.05 1.19 Q3 1 0.1737 0.4836 0.3162 11.00000 0.05 1.03 Q4 1 0.2623 0.3696 0.8119 11.00000 0.05 0.95 Q5 1 0.2951 0.2696 0.8028 11.00000 0.05 0.86 Q6 1 0.1413 0.4482 0.4005 11.00000 0.05 0.69 Q7 1 0.2035 0.4778 0.3499 11.00000 0.05 0.62 Q8 1 0.3743 0.0123 1.0276 11.00000 0.05 0.57 Q9 1 0.1213 0.5491 0.8200 11.00000 0.05 0.54 Q10 1 0.1586 0.3578 1.0093 11.00000 0.05 0.53 Q11 1 0.1064 0.7046 0.8482 11.00000 0.05 0.52 Q12 1 0.3831 -0.0512 0.8037 11.00000 0.05 0.52 Q13 1 0.4408 0.6869 0.7450 11.00000 0.05 0.51 Q14 1 0.0193 0.0023 0.8187 11.00000 0.05 0.50 Q15 1 0.4448 0.3559 0.8501 11.00000 0.05 0.50 Q16 1 0.1431 0.3676 0.9290 11.00000 0.05 0.49 Q17 1 0.3995 0.2402 0.5905 11.00000 0.05 0.48 Q18 1 0.3209 -0.0273 0.5823 11.00000 0.05 0.48 Q19 1 0.3362 0.3683 0.5669 11.00000 0.05 0.48 Q20 1 0.3472 0.0127 0.8357 11.00000 0.05 0.48 ; _shelx_res_checksum 13652 _shelx_hkl_file ; -2 0 0 2757.82 66.99 -2 0 0 2753.02 67.09 -2 0 0 2771.72 67.89 2 0 0 2741.53 67.79 -3 0 0 1707.43 42.80 -3 0 0 1634.84 41.50 -3 0 0 1659.53 41.60 3 0 0 1725.33 42.80 -4 0 0 83.09 3.30 -4 0 0 87.49 4.40 4 0 0 87.09 4.30 -5 0 0 2316.07 58.39 -5 0 0 2406.26 60.59 -5 0 0 2354.06 58.59 -6 0 0 4.40 1.40 -6 0 0 3.80 1.90 -6 0 0 4.10 1.50 -7 0 0 4306.87 108.39 -7 0 0 4206.98 105.09 -7 0 0 4310.57 108.39 -7 0 0 4277.47 105.39 -8 0 0 674.03 19.00 -8 0 0 713.53 22.40 -8 0 0 671.03 22.00 -8 0 0 688.23 19.20 -9 0 0 298.27 14.50 -9 0 0 304.57 10.00 -9 0 0 324.47 13.30 -10 0 0 528.55 19.30 -10 0 0 518.65 19.30 -11 0 0 15.10 4.50 -12 0 0 701.03 25.40 -13 0 0 35.70 6.30 -14 0 0 123.39 10.50 -15 0 0 7.60 4.70 -16 0 0 76.99 10.50 -17 0 0 90.79 10.70 -18 0 0 132.79 12.80 -19 0 0 18.80 6.60 -19 1 0 364.46 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-11 -2 0 811.12 27.60 -12 -2 0 49.00 7.20 -13 -2 0 124.19 10.00 -14 -2 0 -2.50 3.90 -15 -2 0 123.99 11.00 -16 -2 0 74.69 9.70 -17 -2 0 49.60 8.20 -18 -2 0 2.30 5.50 -19 -2 0 5.00 5.80 -19 3 0 217.48 16.30 -18 3 0 110.89 11.80 -17 3 0 10.30 5.20 -16 3 0 81.89 10.90 -15 3 0 59.79 8.20 -15 3 0 87.29 6.00 -15 3 0 63.19 6.40 -14 3 0 181.98 12.20 -14 3 0 193.68 9.70 -14 3 0 172.68 8.90 -13 3 0 4.10 2.40 -13 3 0 2.30 3.80 -13 3 0 1.10 2.60 -12 3 0 145.19 8.10 -12 3 0 157.88 8.50 -12 3 0 157.18 10.30 -11 3 0 1.00 2.00 -11 3 0 4.80 3.10 -11 3 0 0.30 2.00 -10 3 0 3.60 2.60 -10 3 0 0.60 1.90 -10 3 0 3.50 2.30 -10 3 0 3.60 2.10 -9 3 0 44.00 4.60 -9 3 0 47.90 4.30 8 -3 0 5.60 2.20 -8 3 0 5.40 1.80 -8 3 0 8.30 2.70 -8 3 0 5.50 2.20 7 -3 0 637.04 19.40 -7 3 0 620.14 19.40 -7 3 0 588.84 19.00 -7 3 0 614.54 19.40 6 -3 0 157.68 7.50 -6 3 0 144.89 7.20 -6 3 0 163.08 7.30 -6 3 0 153.98 7.10 5 -3 0 262.67 9.90 -5 3 0 259.27 9.30 -5 3 0 250.07 9.70 -5 3 0 271.47 9.50 4 -3 0 225.48 8.60 -4 3 0 229.08 7.80 -4 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122.09 9.00 -5 7 0 11.70 3.00 -5 7 0 8.80 1.70 -5 7 0 9.00 1.80 4 -7 0 411.56 16.00 -4 7 0 413.56 15.70 3 -7 0 4.40 2.90 -3 7 0 6.30 2.60 2 -7 0 346.77 14.10 -2 7 0 367.46 14.00 1 -7 0 14.40 3.90 -1 7 0 13.10 3.20 0 -7 0 294.57 12.00 0 7 0 271.47 11.50 -1 -7 0 9.00 2.70 -1 -7 0 11.70 1.80 1 7 0 7.50 1.60 1 7 0 6.80 2.70 -2 -7 0 129.29 7.50 -2 -7 0 145.19 5.80 2 7 0 140.89 5.90 2 7 0 129.79 7.20 -3 -7 0 1097.69 30.00 -3 -7 0 1101.89 31.80 3 7 0 1125.29 30.20 -4 -7 0 765.92 22.10 -4 -7 0 745.73 22.90 4 7 0 744.53 22.10 4 7 0 745.93 22.60 -5 -7 0 281.57 11.00 -5 -7 0 274.17 10.80 5 7 0 265.27 10.70 5 7 0 267.67 10.60 -6 -7 0 10.90 2.90 6 7 0 13.20 3.00 6 7 0 9.60 2.50 -7 -7 0 1.90 1.80 -7 -7 0 4.00 2.50 7 7 0 4.50 2.40 7 7 0 -0.30 2.10 -8 -7 0 281.07 10.60 -8 -7 0 285.37 13.00 8 7 0 289.47 10.60 -9 -7 0 127.59 9.00 -9 -7 0 140.79 6.60 -10 -7 0 225.78 12.40 -11 -7 0 -0.10 2.90 -12 -7 0 191.48 12.50 -13 -7 0 10.20 4.50 -14 -7 0 273.27 15.90 -15 -7 0 92.59 11.40 -16 -7 0 6.10 5.20 -17 -7 0 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0 69.29 6.70 -11 9 0 68.19 6.00 10 -9 0 528.55 22.00 -10 9 0 527.15 18.60 9 -9 0 117.59 9.90 -9 9 0 119.89 7.50 -9 9 0 131.49 7.20 8 -9 0 32.70 6.20 -8 9 0 29.50 4.00 -8 9 0 30.00 4.00 7 -9 0 167.08 11.10 -7 9 0 176.68 7.80 -7 9 0 173.78 7.50 6 -9 0 309.27 15.00 -6 9 0 309.87 10.50 5 -9 0 99.89 8.30 -5 9 0 109.59 8.40 4 -9 0 96.19 8.00 -4 9 0 86.79 7.40 3 -9 0 1111.39 35.20 -3 9 0 1144.19 34.90 2 -9 0 399.26 16.50 -2 9 0 396.06 16.10 1 -9 0 3.90 2.90 -1 9 0 -0.30 1.90 0 -9 0 57.09 6.00 0 9 0 52.79 6.20 -1 -9 0 31.50 2.70 -1 -9 0 27.90 6.20 1 9 0 28.20 2.60 1 9 0 27.70 4.80 -2 -9 0 206.38 10.90 -2 -9 0 206.48 7.70 2 9 0 215.28 8.70 2 9 0 197.48 10.00 -3 -9 0 334.07 14.00 -3 -9 0 338.97 11.50 3 9 0 334.37 11.60 3 9 0 343.77 13.80 -4 -9 0 367.36 12.50 -4 -9 0 336.97 14.10 4 9 0 326.27 12.30 -5 -9 0 1076.09 30.20 -5 -9 0 1033.70 31.50 5 9 0 1027.50 30.20 5 9 0 1029.00 30.90 -6 -9 0 1113.69 32.70 6 9 0 1064.59 32.20 6 9 0 1110.29 32.30 -7 -9 0 161.78 9.30 -7 -9 0 153.98 8.70 7 9 0 161.28 8.80 -8 -9 0 149.49 9.30 -8 -9 0 140.69 8.10 8 9 0 134.59 8.10 -9 -9 0 318.07 12.30 -9 -9 0 307.97 14.40 9 9 0 296.67 12.10 -10 -9 0 1.80 2.30 -10 -9 0 1.30 3.50 10 9 0 0.80 2.50 -11 -9 0 357.26 16.80 -12 -9 0 60.39 11.80 -13 -9 0 1065.49 36.60 -14 -9 0 9.60 5.50 -15 -9 0 350.36 18.90 -16 -9 0 14.70 6.40 -17 -9 0 261.77 17.40 -19 10 0 132.79 14.90 -18 10 0 105.39 12.10 -18 10 0 98.09 11.90 -17 10 0 -1.40 5.00 -17 10 0 5.20 5.40 -16 10 0 15.60 6.30 -16 10 0 11.40 5.60 -15 10 0 275.77 17.00 -15 10 0 261.77 15.20 -14 10 0 72.69 8.50 -13 10 0 2.30 3.80 -12 10 0 137.79 9.40 11 -10 0 3.60 4.20 -11 10 0 19.10 3.70 -11 10 0 11.10 3.60 10 -10 0 393.16 18.90 -10 10 0 368.86 14.80 -10 10 0 381.16 14.30 9 -10 0 13.10 5.50 -9 10 0 21.90 3.60 -9 10 0 16.70 3.50 8 -10 0 735.03 27.60 -8 10 0 717.43 21.50 -8 10 0 730.53 21.80 7 -10 0 127.39 10.20 -7 10 0 116.19 5.70 -7 10 0 123.39 6.20 6 -10 0 390.36 18.00 5 -10 0 42.70 7.20 4 -10 0 38.70 5.90 3 -10 0 1344.07 41.50 2 -10 0 645.44 23.80 -2 10 0 649.74 23.60 1 -10 0 913.71 30.30 -1 10 0 926.81 30.00 0 10 0 278.17 13.00 -1 -10 0 178.48 10.60 1 10 0 189.18 10.30 -2 -10 0 238.08 8.60 -2 -10 0 245.28 12.30 2 10 0 243.08 8.80 2 10 0 238.88 11.70 -3 -10 0 4.90 3.10 -3 -10 0 8.30 2.40 3 10 0 6.90 3.20 3 10 0 3.60 2.00 -4 -10 0 896.71 29.20 -4 -10 0 907.21 26.20 4 10 0 920.21 26.60 -5 -10 0 83.79 7.20 -5 -10 0 89.49 6.30 5 10 0 82.19 6.70 5 10 0 82.79 6.00 -6 -10 0 469.15 16.80 6 10 0 469.25 17.40 -7 -10 0 425.66 16.40 -7 -10 0 418.26 16.30 7 10 0 432.16 16.20 -8 -10 0 983.20 29.80 -8 -10 0 961.20 30.60 8 10 0 972.60 29.80 -9 -10 0 25.30 5.00 -9 -10 0 33.50 5.00 9 10 0 28.40 4.90 -10 -10 0 0.40 3.20 -10 -10 0 -1.70 2.00 10 10 0 3.50 2.80 -11 -10 0 10.00 4.40 -12 -10 0 326.97 16.60 -13 -10 0 69.49 9.40 -14 -10 0 632.84 26.30 -15 -10 0 17.80 6.40 -16 -10 0 113.09 14.10 -17 -10 0 98.89 13.30 -18 11 0 107.99 18.60 -17 11 0 25.80 7.50 -17 11 0 28.40 7.40 -16 11 0 396.86 19.10 -16 11 0 395.16 21.70 -15 11 0 237.48 16.90 -15 11 0 248.38 14.20 -14 11 0 202.28 12.30 13 -11 0 198.48 14.40 -13 11 0 198.38 11.40 12 -11 0 4.80 4.70 -12 11 0 3.20 3.20 -12 11 0 2.00 3.00 11 -11 0 162.28 12.70 -11 11 0 151.98 9.20 -11 11 0 154.68 10.00 -10 11 0 16.60 3.70 -10 11 0 14.90 3.10 9 -11 0 905.41 32.80 -9 11 0 836.12 25.50 -9 11 0 917.81 26.10 8 -11 0 1.60 3.70 7 -11 0 429.16 19.90 6 -11 0 58.99 8.70 5 -11 0 647.64 25.40 4 -11 0 134.49 10.60 3 -11 0 152.28 11.00 2 -11 0 128.79 9.80 1 -11 0 7.00 3.60 0 -11 0 456.75 19.10 -1 -11 0 429.26 18.20 -2 -11 0 431.66 18.00 -2 -11 0 432.76 13.30 2 11 0 411.96 13.30 2 11 0 396.76 17.10 -3 -11 0 49.90 4.30 -3 -11 0 56.19 7.70 3 11 0 34.80 5.60 3 11 0 46.30 4.30 -4 -11 0 237.48 12.60 -4 -11 0 241.38 9.80 4 11 0 224.08 11.90 -5 -11 0 58.59 6.90 -5 -11 0 66.19 5.70 -6 -11 0 119.49 8.70 -6 -11 0 127.79 8.00 6 11 0 122.39 8.50 -7 -11 0 227.58 11.10 -7 -11 0 208.98 11.30 7 11 0 217.78 11.40 -8 -11 0 0.90 3.00 -8 -11 0 0.30 2.70 8 11 0 2.70 6.30 -9 -11 0 917.51 29.90 -9 -11 0 902.61 28.80 9 11 0 902.41 28.80 -10 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16.30 -6 -15 3 457.95 22.00 -5 -15 3 36.50 8.00 -4 -15 3 201.38 14.50 -3 -15 3 28.50 8.20 -2 -15 3 276.57 17.30 -1 -15 3 59.59 9.90 0 -15 3 416.66 21.60 1 -15 3 292.37 18.00 2 -15 3 31.80 8.00 3 -15 3 35.10 8.60 4 -15 3 146.29 13.50 5 -15 3 125.79 12.80 6 -15 3 164.28 14.50 7 -15 3 37.80 8.30 8 -15 3 128.99 13.70 9 -15 3 271.37 19.00 11 -15 3 40.10 10.30 12 -15 3 118.49 16.10 -14 -14 3 39.00 8.80 -13 -14 3 0.70 5.20 -12 -14 3 119.89 10.10 -12 -14 3 118.69 11.30 -11 -14 3 123.69 10.20 -11 -14 3 147.29 11.50 -10 -14 3 -1.80 4.20 -10 -14 3 10.70 4.60 -9 -14 3 -2.00 3.60 -9 -14 3 10.80 4.40 -8 -14 3 61.29 8.50 -8 -14 3 61.19 7.50 -7 -14 3 303.57 16.80 -7 -14 3 329.97 14.00 -6 -14 3 37.50 5.20 -6 -14 3 54.29 6.00 -6 -14 3 44.80 7.80 -5 -14 3 408.36 15.10 -5 -14 3 460.45 15.40 -5 -14 3 461.75 21.80 -4 -14 3 19.20 7.00 -2 -14 3 35.50 10.00 -1 -14 3 378.56 19.80 0 -14 3 392.96 20.30 1 -14 3 125.09 11.70 2 -14 3 191.58 14.10 3 -14 3 347.37 19.40 4 -14 3 233.88 16.10 5 -14 3 11.60 6.00 6 -14 3 54.79 9.20 7 -14 3 156.28 13.70 8 -14 3 122.49 12.80 9 -14 3 96.69 11.80 10 -14 3 44.70 9.20 11 -14 3 3.30 5.10 13 -14 3 25.90 9.10 14 -14 3 44.20 10.10 -15 -13 3 62.99 10.00 -14 -13 3 4.30 5.90 -13 -13 3 52.79 8.90 -13 -13 3 51.59 8.40 -12 -13 3 209.48 12.10 -12 -13 3 207.98 13.70 -11 -13 3 4.20 4.00 -11 -13 3 0.20 3.80 -10 -13 3 156.58 12.20 -10 -13 3 155.88 11.00 -9 -13 3 51.99 8.00 -9 -13 3 50.29 7.10 -8 -13 3 351.36 16.70 -8 -13 3 293.17 14.00 -7 -13 3 2.50 4.00 -7 -13 3 8.50 3.70 -6 -13 3 171.08 12.20 -6 -13 3 163.78 9.20 -6 -13 3 176.18 9.20 -5 -13 3 48.90 4.70 -5 -13 3 46.50 7.50 -5 -13 3 45.20 5.10 -4 -13 3 357.06 18.10 -4 -13 3 369.46 12.60 -3 -13 3 235.78 14.60 -2 -13 3 112.19 10.70 -1 -13 3 196.58 13.50 0 -13 3 3.90 4.00 1 -13 3 4.70 4.00 2 -13 3 14.10 5.10 3 -13 3 548.75 34.70 4 -13 3 4.60 4.60 5 -13 3 86.69 10.30 6 -13 3 12.80 5.60 7 -13 3 44.90 9.20 8 -13 3 24.40 7.00 9 -13 3 18.10 6.10 10 -13 3 29.20 7.50 11 -13 3 7.50 6.00 12 -13 3 18.60 6.70 13 -13 3 6.50 6.20 15 -13 3 28.90 8.10 -15 -12 3 40.30 8.50 -14 -12 3 54.09 8.70 -13 -12 3 95.29 7.70 -13 -12 3 79.99 10.20 -12 -12 3 -7.20 3.80 -12 -12 3 3.90 3.20 -11 -12 3 5.60 4.50 -11 -12 3 6.30 3.50 -10 -12 3 6.80 4.10 -10 -12 3 11.60 4.40 -9 -12 3 48.90 7.00 -9 -12 3 43.60 6.80 -8 -12 3 48.70 7.20 -8 -12 3 33.70 5.70 -7 -12 3 148.09 9.00 -7 -12 3 144.09 10.60 -7 -12 3 139.79 8.90 -6 -12 3 269.67 11.60 -6 -12 3 259.67 14.40 -6 -12 3 244.58 12.40 -5 -12 3 196.88 12.40 -5 -12 3 184.28 8.80 -5 -12 3 196.08 9.20 -4 -12 3 184.38 8.20 -4 -12 3 190.68 8.40 -4 -12 3 191.28 12.40 -3 -12 3 34.40 6.30 -2 -12 3 381.56 18.40 -1 -12 3 290.97 15.80 0 -12 3 148.59 11.50 1 -12 3 506.35 22.20 2 -12 3 136.59 11.20 3 -12 3 153.08 11.90 4 -12 3 114.59 10.50 5 -12 3 1.20 3.60 6 -12 3 39.10 10.10 7 -12 3 99.09 10.50 8 -12 3 24.80 6.20 9 -12 3 50.99 8.70 10 -12 3 621.04 27.20 11 -12 3 3.90 4.80 12 -12 3 20.20 6.40 13 -12 3 35.50 8.10 14 -12 3 20.50 7.40 15 -12 3 139.99 14.20 -17 12 -3 235.48 17.90 -16 -11 3 0.80 4.80 -14 -11 3 121.29 11.50 -13 -11 3 -6.50 4.60 -12 -11 3 92.89 11.00 -12 -11 3 90.09 7.40 11 11 -3 12.90 5.60 -11 -11 3 25.40 7.20 -11 -11 3 22.80 4.80 -10 -11 3 1.50 2.90 -10 -11 3 1.80 4.20 -9 -11 3 89.89 8.50 -9 -11 3 100.49 8.40 -8 -11 3 18.10 4.80 -8 -11 3 12.50 4.10 -7 -11 3 592.64 21.30 -7 -11 3 635.94 21.90 -7 -11 3 674.63 24.00 -6 -11 3 92.69 6.90 -6 -11 3 98.29 8.80 -5 -11 3 107.19 6.50 -5 -11 3 109.49 9.40 -5 -11 3 108.19 7.00 -4 -11 3 48.10 4.60 -4 -11 3 48.50 7.20 -4 -11 3 49.99 4.30 -3 -11 3 867.91 24.00 -3 -11 3 835.92 24.00 -3 -11 3 866.71 30.00 -2 -11 3 462.05 19.90 -1 -11 3 396.46 18.20 0 -11 3 546.45 22.30 1 -11 3 216.38 13.30 2 -11 3 127.49 10.40 3 -11 3 2.60 4.30 4 -11 3 908.11 32.50 5 -11 3 1.90 3.60 6 -11 3 50.99 8.00 7 -11 3 0.00 3.60 8 -11 3 10.30 4.60 10 -11 3 5.70 5.40 -11 11 -3 493.45 16.20 11 -11 3 484.65 23.00 -12 11 -3 22.80 6.00 12 -11 3 14.80 6.10 -13 11 -3 339.57 13.90 13 -11 3 326.87 19.00 -14 11 -3 2.60 3.70 14 -11 3 5.80 5.10 -15 11 -3 32.70 6.00 15 -11 3 19.80 6.70 -17 11 -3 6.90 6.20 -18 11 -3 263.07 19.20 -16 -10 3 37.10 8.80 -15 -10 3 85.19 11.20 -14 -10 3 44.10 8.10 -13 -10 3 96.89 10.60 -12 -10 3 413.06 15.80 -12 -10 3 378.86 18.70 11 10 -3 118.09 9.30 -11 -10 3 147.49 9.10 -11 -10 3 139.29 11.00 10 10 -3 112.79 8.90 -10 -10 3 132.79 10.10 -10 -10 3 142.39 9.10 9 10 -3 82.09 7.60 -9 -10 3 74.19 7.90 -9 -10 3 70.09 7.10 8 10 -3 378.76 16.30 -8 -10 3 410.06 16.40 -8 -10 3 373.86 16.10 7 10 -3 33.10 5.50 -7 -10 3 27.30 5.10 -7 -10 3 27.40 5.40 -7 -10 3 30.40 4.70 -6 -10 3 282.07 13.80 -6 -10 3 264.87 11.90 -6 -10 3 292.17 12.30 5 10 -3 807.22 27.20 -5 -10 3 797.92 27.40 -5 -10 3 815.02 24.60 -5 -10 3 799.92 24.40 4 10 -3 1235.28 38.30 -4 -10 3 1225.78 34.60 -4 -10 3 1273.27 34.60 -4 -10 3 1289.37 39.00 3 10 -3 502.75 20.00 -3 -10 3 508.15 15.70 -3 -10 3 495.55 20.00 -3 -10 3 520.15 15.70 -2 -10 3 960.10 31.70 -1 -10 3 298.77 14.90 0 -10 3 5.10 3.40 1 -10 3 3.50 3.60 2 -10 3 39.90 6.80 3 -10 3 834.72 29.60 4 -10 3 231.68 13.50 5 -10 3 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3 -9 890.31 28.20 -5 -3 9 838.22 28.40 -5 -3 9 886.41 27.30 4 3 -9 275.47 11.60 -4 -3 9 242.58 12.40 -4 -3 9 260.97 10.80 3 3 -9 392.86 16.60 3 3 -9 414.26 14.70 -3 -3 9 394.86 16.20 2 3 -9 113.49 6.40 2 3 -9 116.69 7.90 -2 -3 9 112.69 8.30 -2 -3 9 111.09 6.00 1 3 -9 731.23 22.10 1 3 -9 736.13 24.30 -1 -3 9 753.42 21.80 0 3 -9 7.10 2.20 0 3 -9 0.50 2.60 0 -3 9 2.50 1.60 -1 3 -9 108.49 5.60 -1 3 -9 99.79 7.50 1 -3 9 107.49 5.40 1 -3 9 94.59 8.70 -2 3 -9 171.38 9.60 -2 3 -9 189.98 7.60 2 -3 9 176.98 7.30 2 -3 9 169.88 10.20 -3 3 -9 11.30 3.50 -3 3 -9 9.30 2.20 3 -3 9 13.50 2.50 3 -3 9 11.10 3.80 -4 3 -9 937.21 25.20 -4 3 -9 880.41 27.90 4 -3 9 871.61 24.90 4 -3 9 853.71 30.30 -5 3 -9 697.83 23.30 -5 3 -9 710.93 20.80 5 -3 9 691.53 20.80 -6 3 -9 1780.72 46.40 -6 3 -9 1690.83 48.60 6 -3 9 1745.63 46.60 -7 3 -9 143.59 9.10 -7 3 -9 167.98 8.20 7 -3 9 175.58 8.40 7 -3 9 148.89 9.70 -8 3 -9 323.57 14.40 -8 3 -9 342.97 13.20 8 -3 9 350.96 14.70 8 -3 9 349.96 13.60 -9 3 -9 22.60 4.30 9 -3 9 23.70 4.90 -10 3 -9 46.80 5.80 -10 3 -9 40.30 7.00 10 -3 9 40.50 5.80 10 -3 9 48.90 5.90 -11 3 -9 785.62 25.30 -11 3 -9 734.13 25.00 11 -3 9 753.52 25.30 -12 3 -9 449.76 17.60 -12 3 -9 396.56 16.30 12 -3 9 423.16 16.80 -13 3 -9 599.24 21.40 -13 3 -9 640.14 23.20 13 -3 9 640.74 22.10 -14 3 -9 248.28 12.40 -14 3 -9 300.27 14.80 14 -3 9 282.37 12.90 -15 3 -9 214.58 13.20 15 -3 9 197.68 10.80 -16 3 -9 16.80 6.10 -17 3 -9 148.39 12.30 -18 3 -9 85.69 11.60 -19 3 -9 128.19 13.10 -17 -2 9 196.28 16.60 -17 -2 9 191.88 12.80 -16 -2 9 12.30 5.20 -15 -2 9 56.49 10.40 -15 -2 9 54.29 7.90 -14 -2 9 6.40 4.60 -14 -2 9 6.10 5.10 -13 -2 9 665.83 27.30 -13 -2 9 601.24 23.50 -12 -2 9 16.10 5.20 -12 -2 9 12.70 4.70 -11 -2 9 939.81 30.90 -11 -2 9 904.41 32.60 10 2 -9 4.40 3.20 -10 -2 9 15.00 4.70 -10 -2 9 12.20 4.50 -9 -2 9 747.83 26.00 8 2 -9 2.30 2.40 8 2 -9 -0.50 2.50 -8 -2 9 4.00 4.00 7 2 -9 559.04 20.60 7 2 -9 532.05 19.60 -7 -2 9 537.65 19.90 -7 -2 9 541.35 20.40 6 2 -9 688.63 23.50 6 2 -9 690.43 25.00 -6 -2 9 704.53 23.00 -6 -2 9 668.73 23.70 5 2 -9 12.20 3.10 5 2 -9 13.60 3.40 -5 -2 9 14.40 4.30 -5 -2 9 13.00 3.00 4 2 -9 1833.52 50.99 4 2 -9 1849.21 50.39 -4 -2 9 1860.61 57.09 -4 -2 9 1793.72 49.70 3 2 -9 25.60 4.00 3 2 -9 17.10 3.90 -3 -2 9 22.00 4.60 -3 -2 9 17.30 2.70 2 2 -9 1954.30 52.39 2 2 -9 1875.11 50.59 -2 -2 9 1817.52 50.09 -2 -2 9 1941.41 52.69 1 2 -9 582.44 19.80 1 2 -9 569.04 18.00 -1 -2 9 554.74 20.00 0 2 -9 2200.68 58.69 0 2 -9 2171.08 56.39 0 -2 9 2142.39 55.99 0 -2 9 2143.99 58.79 -1 2 -9 295.37 12.50 -1 2 -9 280.17 10.30 1 -2 9 262.37 12.30 1 -2 9 281.17 10.10 -2 2 -9 49.30 5.60 -2 2 -9 54.99 4.20 2 -2 9 60.99 4.20 2 -2 9 54.29 6.00 -3 2 -9 4.70 2.00 -3 2 -9 5.30 2.60 3 -2 9 1.80 2.50 3 -2 9 6.40 2.10 -4 2 -9 52.19 5.50 -4 2 -9 46.40 4.10 4 -2 9 45.80 5.40 4 -2 9 49.40 4.00 -5 2 -9 89.69 5.50 -5 2 -9 91.49 6.80 5 -2 9 78.69 5.20 5 -2 9 79.29 6.50 -6 2 -9 2.10 2.10 -6 2 -9 2.50 2.90 6 -2 9 1.00 1.90 6 -2 9 -1.70 1.90 -7 2 -9 219.18 9.80 -7 2 -9 217.58 10.60 7 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103.79 13.70 1 -11 13 139.69 13.70 2 -11 13 104.49 12.20 3 -11 13 64.39 11.00 4 -11 13 52.39 10.20 5 -11 13 3.80 5.20 6 -11 13 61.69 11.00 7 -11 13 26.60 8.00 8 -11 13 42.80 9.30 9 -11 13 285.07 21.00 10 -11 13 19.00 7.80 11 -11 13 62.59 12.80 12 -11 13 47.40 10.00 13 -11 13 80.99 15.40 -13 -10 13 58.09 11.00 -12 -10 13 121.09 13.10 -11 -10 13 57.19 9.90 -11 -10 13 39.50 8.50 -10 -10 13 47.20 9.10 -10 -10 13 53.39 10.00 -9 -10 13 11.20 5.80 -9 -10 13 18.00 6.60 -8 -10 13 239.28 17.10 -7 -10 13 104.39 12.20 -7 -10 13 84.39 9.10 -6 -10 13 98.39 8.90 -6 -10 13 126.89 13.00 -5 -10 13 4.40 4.60 -5 -10 13 2.80 3.50 -4 -10 13 506.85 24.20 -4 -10 13 482.45 17.90 -4 -10 13 466.15 17.60 -3 -10 13 27.50 4.70 -3 -10 13 28.30 7.70 -2 -10 13 0.70 4.40 -1 -10 13 -4.30 3.70 0 -10 13 91.89 11.20 1 -10 13 194.08 15.00 2 -10 13 11.10 5.90 3 -10 13 105.29 12.00 4 -10 13 7.80 5.40 5 -10 13 12.40 5.80 6 -10 13 -0.20 4.50 7 -10 13 50.79 9.80 8 -10 13 189.78 15.60 9 -10 13 362.86 21.20 10 -10 13 117.39 12.70 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45.90 5.40 6 -4 14 48.30 7.70 6 -4 14 46.40 7.10 -7 4 -14 195.18 9.90 7 -4 14 180.68 9.80 7 -4 14 193.98 12.70 -8 4 -14 4.80 3.00 8 -4 14 2.30 3.60 8 -4 14 4.50 3.40 -9 4 -14 54.49 6.50 9 -4 14 53.29 8.20 -10 4 -14 9.70 3.80 10 -4 14 4.30 4.10 -11 4 -14 5.40 3.90 11 -4 14 4.40 3.70 -12 4 -14 439.06 18.40 12 -4 14 450.25 20.40 -13 4 -14 41.10 6.90 13 -4 14 35.60 7.30 -14 4 -14 178.18 11.90 14 -4 14 177.18 12.40 -15 4 -14 11.90 5.30 15 -4 14 16.70 5.50 -16 4 -14 22.90 6.70 16 -4 14 18.80 6.70 -17 4 -14 20.20 6.50 -18 4 -14 46.90 8.90 -16 -3 14 58.99 9.20 -15 -3 14 38.40 13.60 -15 -3 14 55.79 9.60 -14 -3 14 7.10 5.60 -14 -3 14 0.60 5.40 -13 -3 14 9.40 5.70 -13 -3 14 21.10 7.10 -12 -3 14 2.80 4.80 -12 -3 14 2.10 3.80 -11 -3 14 11.00 5.80 -11 -3 14 15.40 6.00 -10 -3 14 120.39 11.70 9 3 -14 100.19 10.20 -9 -3 14 94.19 13.80 8 3 -14 75.59 9.00 -8 -3 14 66.59 9.20 7 3 -14 156.58 11.20 -7 -3 14 150.78 12.20 6 3 -14 182.78 11.60 -6 -3 14 169.68 12.80 5 3 -14 229.08 12.80 -5 -3 14 246.38 14.70 4 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203.68 16.80 -6 5 -22 29.20 5.90 6 -5 22 38.10 8.90 7 -5 22 161.38 15.80 8 -5 22 13.70 6.30 9 -5 22 12.30 6.30 10 -5 22 69.89 14.00 8 4 -22 9.60 7.80 7 4 -22 215.78 20.90 6 4 -22 3.10 5.90 -6 -4 22 13.50 8.40 5 4 -22 184.08 14.40 -5 -4 22 178.28 16.60 4 4 -22 81.99 10.60 -4 -4 22 92.49 13.80 3 4 -22 144.79 12.50 -3 -4 22 136.89 14.60 2 4 -22 264.87 16.00 -2 -4 22 260.87 19.30 1 4 -22 86.59 10.20 -1 -4 22 66.99 11.60 0 4 -22 100.39 10.10 0 -4 22 88.69 13.30 -1 4 -22 -0.60 3.90 1 -4 22 3.30 5.70 -2 4 -22 48.90 7.60 2 -4 22 39.80 15.10 -3 4 -22 29.60 6.80 -4 4 -22 176.18 17.40 -5 4 -22 29.00 6.70 5 -4 22 31.20 13.80 -6 4 -22 59.99 8.20 6 -4 22 81.09 18.70 -7 4 -22 33.60 6.40 7 -4 22 47.90 11.30 -8 4 -22 26.80 6.10 8 -4 22 47.00 10.40 -9 4 -22 43.30 7.50 9 -4 22 38.20 9.40 -10 4 -22 13.20 5.70 10 -4 22 21.60 6.80 11 -4 22 187.58 16.50 12 -4 22 17.30 8.80 13 -4 22 131.09 18.00 9 3 -22 62.49 15.60 8 3 -22 109.99 14.50 -7 -3 22 38.00 10.40 6 3 -22 116.99 12.40 -6 -3 22 137.29 14.90 5 3 -22 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48.90 12.40 -7 -6 23 6.50 15.80 4 6 -23 136.69 13.50 3 6 -23 38.40 7.30 2 6 -23 66.69 9.30 1 6 -23 -2.20 5.00 0 6 -23 80.89 10.20 -1 6 -23 103.29 14.10 6 5 -23 51.69 9.90 5 5 -23 167.18 15.80 4 5 -23 84.79 10.80 3 5 -23 103.39 11.40 2 5 -23 6.60 5.70 1 5 -23 22.30 6.10 0 5 -23 -9.60 4.30 -1 5 -23 11.20 5.10 -2 5 -23 188.38 13.00 2 -5 23 180.38 21.00 -3 5 -23 -0.10 4.60 3 -5 23 -3.40 5.00 -4 5 -23 10.40 5.00 4 -5 23 28.00 8.80 -5 5 -23 23.60 5.90 5 -5 23 26.40 12.30 7 4 -23 5.30 6.90 6 4 -23 165.48 15.10 5 4 -23 144.89 13.70 4 4 -23 176.28 14.20 3 4 -23 184.58 14.10 2 4 -23 108.29 10.90 -2 -4 23 103.99 14.80 1 4 -23 51.79 8.40 -1 -4 23 50.59 10.90 0 4 -23 4.20 4.70 0 -4 23 6.20 4.80 -1 4 -23 26.60 6.40 1 -4 23 15.60 7.40 -2 4 -23 218.58 13.70 2 -4 23 180.58 16.50 -3 4 -23 40.70 7.30 3 -4 23 34.50 9.30 -4 4 -23 25.60 5.80 4 -4 23 23.50 8.00 -5 4 -23 50.79 8.20 5 -4 23 57.89 11.10 -6 4 -23 80.79 9.50 6 -4 23 125.69 14.50 -7 4 -23 37.30 7.10 7 -4 23 28.40 8.60 -8 4 -23 494.05 21.70 8 -4 23 553.04 27.90 9 -4 23 35.40 8.90 7 3 -23 145.59 14.70 6 3 -23 57.69 10.40 5 3 -23 77.89 11.70 4 3 -23 200.38 14.90 -4 -3 23 199.38 17.70 3 3 -23 47.30 8.30 -3 -3 23 53.89 11.30 2 3 -23 84.19 11.30 -2 -3 23 93.59 14.20 1 3 -23 53.99 8.50 -1 -3 23 62.19 11.40 0 3 -23 130.69 11.90 0 -3 23 159.88 15.30 -1 3 -23 297.27 16.60 1 -3 23 275.87 19.60 -2 3 -23 16.40 5.70 2 -3 23 24.50 7.40 -3 3 -23 207.78 13.40 3 -3 23 184.28 16.40 -4 3 -23 161.48 12.00 4 -3 23 180.98 15.80 -5 3 -23 162.48 12.10 5 -3 23 167.18 15.70 -6 3 -23 89.29 9.80 6 -3 23 132.69 13.60 -7 3 -23 69.89 9.50 7 -3 23 92.29 13.10 -8 3 -23 39.10 6.80 8 -3 23 46.80 9.50 -9 3 -23 75.89 10.00 9 -3 23 75.19 11.60 -10 3 -23 89.69 9.60 10 -3 23 59.39 11.50 -11 3 -23 360.46 23.80 11 -3 23 371.36 22.40 12 -3 23 135.49 16.40 13 -3 23 18.60 13.90 8 2 -23 86.39 14.80 7 2 -23 24.20 8.10 6 2 -23 56.59 13.10 -6 -2 23 45.50 16.20 5 2 -23 187.98 14.60 -5 -2 23 141.89 16.10 4 2 -23 50.09 8.50 -4 -2 23 34.90 9.20 3 2 -23 25.40 7.20 -3 -2 23 20.90 8.30 2 2 -23 20.30 6.40 -2 -2 23 21.80 7.80 1 2 -23 251.47 15.70 -1 -2 23 245.78 18.80 0 2 -23 64.89 9.10 -1 2 -23 187.78 13.40 1 -2 23 157.18 23.30 -2 2 -23 13.50 5.30 2 -2 23 6.20 6.30 -3 2 -23 9.30 4.70 3 -2 23 -1.20 4.60 -4 2 -23 65.09 8.90 4 -2 23 70.59 11.90 -5 2 -23 26.90 6.20 5 -2 23 21.50 7.80 -6 2 -23 181.58 12.90 6 -2 23 202.38 16.30 -7 2 -23 9.60 4.80 7 -2 23 5.20 5.60 -8 2 -23 74.19 9.80 8 -2 23 85.39 14.10 -9 2 -23 19.00 5.20 -10 2 -23 12.20 5.70 10 -2 23 17.60 9.70 -11 2 -23 98.19 10.60 11 -2 23 81.69 12.90 12 -2 23 84.39 13.20 -13 2 -23 330.97 23.20 13 -2 23 297.17 28.50 8 1 -23 92.39 12.80 7 1 -23 18.10 7.30 -7 -1 23 25.60 12.50 -6 -1 23 199.68 17.70 5 1 -23 129.69 12.70 -5 -1 23 119.79 14.80 4 1 -23 30.30 6.90 -4 -1 23 34.70 8.80 3 1 -23 94.09 10.80 -3 -1 23 65.99 12.10 2 1 -23 120.79 11.90 -2 -1 23 102.99 21.60 1 1 -23 108.09 11.20 -1 -1 23 124.39 16.50 0 1 -23 31.10 7.30 0 -1 23 30.70 9.00 -1 1 -23 23.20 6.30 1 -1 23 12.90 6.60 -2 1 -23 0.10 4.10 2 -1 23 3.90 5.30 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26 94.99 15.20 7 15 26 -1.30 13.40 0 3 -27 22.80 8.80 -1 3 -27 206.08 17.80 1 2 -27 34.90 12.90 0 2 -27 258.37 17.90 -1 2 -27 158.48 14.90 -2 2 -27 231.78 16.80 -3 2 -27 20.80 7.30 -4 2 -27 60.19 9.90 -5 2 -27 203.98 15.40 1 1 -27 38.40 10.60 0 1 -27 129.49 14.20 -1 1 -27 23.20 7.90 -2 1 -27 82.59 11.30 -3 1 -27 53.99 9.90 -5 1 -27 13.30 6.70 -6 1 -27 148.49 14.10 -7 1 -27 48.00 8.70 1 0 -27 37.90 9.90 0 0 -27 69.59 11.30 -1 0 -27 35.80 8.60 -2 0 -27 125.69 13.80 -3 0 -27 67.99 10.10 -4 0 -27 23.00 8.50 -5 0 -27 205.98 16.10 -6 0 -27 110.99 12.40 -7 0 -27 29.70 7.80 1 -1 -27 83.89 13.00 0 -1 -27 9.30 6.00 -1 -1 -27 134.09 14.70 -2 -1 -27 201.08 15.60 -3 -1 -27 50.19 9.10 -4 -1 -27 11.90 6.80 -5 -1 -27 202.58 15.70 -6 -1 -27 137.79 13.30 -7 -1 -27 32.90 10.30 1 -2 -27 6.80 6.90 0 -2 -27 127.99 14.00 -1 -2 -27 38.90 7.60 -2 -2 -27 138.19 13.70 -3 -2 -27 50.59 10.00 -4 -2 -27 20.30 6.80 -5 -2 -27 83.29 11.40 -6 -2 -27 147.09 14.10 1 -3 -27 58.39 14.20 0 -3 -27 56.69 9.50 -1 -3 -27 230.78 16.80 -2 -3 -27 21.20 6.50 -3 -3 -27 253.97 17.70 3 3 27 296.07 24.90 -4 -3 -27 -3.00 5.30 4 3 27 1.50 7.30 -5 -3 -27 206.28 15.70 5 3 27 186.08 16.80 -6 -3 -27 286.07 23.10 6 3 27 267.87 19.80 7 3 27 22.20 8.60 8 3 27 127.39 15.10 9 3 27 44.10 10.40 10 3 27 302.97 24.00 0 -4 -27 12.90 6.20 -1 -4 -27 8.50 6.20 -2 -4 -27 199.48 15.90 2 4 27 190.78 19.60 -3 -4 -27 73.39 11.20 3 4 27 58.59 10.70 -4 -4 -27 146.89 13.50 4 4 27 138.59 15.70 -5 -4 -27 5.40 5.30 5 4 27 3.20 6.20 6 4 27 0.20 6.10 7 4 27 41.00 10.00 8 4 27 44.90 10.90 9 4 27 151.38 16.50 10 4 27 148.69 18.40 0 -5 -27 47.30 12.20 -1 -5 -27 4.20 4.90 1 5 27 -0.30 8.20 -2 -5 -27 -1.80 5.10 2 5 27 6.50 6.60 -3 -5 -27 5.30 6.20 3 5 27 10.80 8.20 -4 -5 -27 125.69 14.00 4 5 27 94.39 13.70 5 5 27 0.40 6.80 6 5 27 -2.60 6.80 7 5 27 4.00 6.60 8 5 27 9.30 7.40 9 5 27 308.47 20.70 10 5 27 9.20 9.70 -1 -6 -27 3.50 7.50 1 6 27 12.80 8.40 -2 -6 -27 61.89 13.00 2 6 27 61.19 11.50 -3 -6 -27 86.49 15.90 3 6 27 64.89 11.80 4 6 27 87.99 13.50 5 6 27 48.30 10.30 6 6 27 129.29 15.00 7 6 27 93.59 13.40 8 6 27 22.20 8.00 9 6 27 55.49 11.30 10 6 27 45.20 12.10 1 7 27 21.00 13.00 2 7 27 32.90 9.60 3 7 27 45.30 11.00 4 7 27 4.00 7.50 5 7 27 238.68 18.50 6 7 27 63.99 11.00 7 7 27 35.70 9.00 8 7 27 21.90 8.60 9 7 27 27.00 10.30 1 8 27 126.19 17.80 2 8 27 -0.80 6.00 3 8 27 40.60 10.70 4 8 27 20.50 8.70 5 8 27 0.30 6.50 6 8 27 143.89 16.00 7 8 27 -0.80 7.30 8 8 27 253.07 19.70 9 8 27 42.10 14.00 1 9 27 57.39 16.40 2 9 27 29.30 8.90 3 9 27 41.30 11.30 4 9 27 46.10 10.90 5 9 27 -8.90 6.40 6 9 27 13.10 8.10 7 9 27 99.89 14.00 8 9 27 25.50 10.10 9 9 27 16.50 14.80 2 10 27 172.08 27.00 3 10 27 85.99 13.20 4 10 27 54.69 12.20 5 10 27 -11.20 6.20 6 10 27 11.10 8.70 7 10 27 31.20 10.40 8 10 27 11.50 9.60 3 11 27 0.20 9.30 4 11 27 7.20 7.60 5 11 27 87.59 14.30 6 11 27 78.29 13.30 7 11 27 5.60 8.90 8 11 27 -11.70 9.30 5 12 27 109.29 16.50 6 12 27 28.10 10.60 7 12 27 206.78 20.40 8 12 27 12.20 12.40 7 13 27 100.59 16.70 9 6 28 126.09 24.40 7 7 28 81.09 18.10 8 7 28 74.69 14.90 9 7 28 64.59 14.70 7 8 28 212.88 22.00 8 8 28 20.80 9.80 9 8 28 65.49 18.00 7 9 28 29.40 12.50 8 9 28 127.59 16.60 8 10 28 158.08 20.70 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 67788 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Ag01 Ag 0.27882(2) 0.32022(2) 0.80552(2) 0.01084(3) Uani 1 1 d . . . . . P1 P 0.27100(3) 0.13204(3) 0.86289(2) 0.01023(8) Uani 1 1 d . . . . . P2 P 0.23990(3) 0.37629(3) 0.66629(2) 0.01194(8) Uani 1 1 d . . . . . P3 P 0.15240(3) 0.39795(3) 0.88414(2) 0.01102(8) Uani 1 1 d . . . . . P4 P 0.45608(3) 0.37932(3) 0.81015(2) 0.01138(8) Uani 1 1 d . . . . . Cl2 Cl 0.13183(5) 0.49524(5) 0.42660(3) 0.03668(13) Uani 1 1 d . . . . . Cl1 Cl 0.16073(6) 0.50378(5) 0.26908(4) 0.04457(16) Uani 1 1 d . . . . . O1 O 0.22115(9) -0.01004(9) 0.51559(6) 0.0124(2) Uani 1 1 d . . . . . C18 C 0.29377(12) 0.08945(12) 0.96112(9) 0.0119(3) Uani 1 1 d . . . . . C24 C 0.12791(12) 0.32029(12) 0.65386(9) 0.0129(3) Uani 1 1 d . . . . . C17 C 0.34728(13) -0.03300(12) 0.82504(10) 0.0144(3) Uani 1 1 d . . . . . H17 H 0.290566 -0.065879 0.850782 0.017 Uiso 1 1 calc R . . . . C19 C 0.35896(13) 0.01524(14) 0.98924(10) 0.0169(3) Uani 1 1 d . . . . . H19 H 0.395150 -0.014738 0.956654 0.020 Uiso 1 1 calc R . . . . C12 C 0.35997(12) 0.06475(12) 0.82009(9) 0.0116(3) Uani 1 1 d . . . . . C47 C 0.11935(13) 0.35006(13) 1.04186(10) 0.0160(3) Uani 1 1 d . . . . . H47 H 0.052624 0.342664 1.036093 0.019 Uiso 1 1 calc R . . . . C6 C 0.15972(12) 0.06770(12) 0.85971(9) 0.0114(3) Uani 1 1 d . . . . . C36 C 0.32579(13) 0.34223(13) 0.59865(10) 0.0144(3) Uani 1 1 d . . . . . C60 C 0.50697(12) 0.34736(13) 0.90079(10) 0.0138(3) Uani 1 1 d . . . . . C48 C 0.02735(12) 0.35464(13) 0.89512(9) 0.0126(3) Uani 1 1 d . . . . . C29 C 0.12018(13) 0.27648(13) 0.59707(10) 0.0151(3) Uani 1 1 d . . . . . H29 H 0.173898 0.276715 0.562199 0.018 Uiso 1 1 calc R . . . . C66 C 0.55115(12) 0.34134(12) 0.75068(10) 0.0135(3) Uani 1 1 d . . . . . C53 C 0.01135(14) 0.25941(14) 0.89486(10) 0.0180(3) Uani 1 1 d . . . . . H53 H 0.065074 0.219566 0.888038 0.022 Uiso 1 1 calc R . . . . C23 C 0.24225(13) 0.13352(13) 1.00999(10) 0.0140(3) Uani 1 1 d . . . . . H23 H 0.198318 0.184687 0.991345 0.017 Uiso 1 1 calc R . . . . C77 C 0.55619(13) 0.55616(13) 0.74832(10) 0.0155(3) Uani 1 1 d . . . . . H77 H 0.613343 0.518470 0.747065 0.019 Uiso 1 1 calc R . . . . C16 C 0.41738(13) -0.08185(13) 0.79243(10) 0.0163(3) Uani 1 1 d . . . . . H16 H 0.408854 -0.148411 0.796753 0.020 Uiso 1 1 calc R . . . . C65 C 0.48818(13) 0.25495(13) 0.94842(10) 0.0174(3) Uani 1 1 d . . . . . H65 H 0.450298 0.211230 0.932970 0.021 Uiso 1 1 calc R . . . . C72 C 0.46723(12) 0.51053(12) 0.77708(9) 0.0127(3) Uani 1 1 d . . . . . C13 C 0.44394(12) 0.11144(13) 0.78196(10) 0.0148(3) Uani 1 1 d . . . . . H13 H 0.453741 0.177472 0.778804 0.018 Uiso 1 1 calc R . . . . C64 C 0.52432(15) 0.22612(14) 1.01832(11) 0.0213(4) Uani 1 1 d . . . . . H64 H 0.511496 0.163014 1.050125 0.026 Uiso 1 1 calc R . . . . C7 C 0.12048(13) 0.08479(13) 0.79084(10) 0.0147(3) Uani 1 1 d . . . . . H7 H 0.149577 0.131230 0.748715 0.018 Uiso 1 1 calc R . . . . C26 C -0.03882(14) 0.27808(15) 0.69759(11) 0.0204(4) Uani 1 1 d . . . . . H26 H -0.093354 0.279743 0.731330 0.024 Uiso 1 1 calc R . . . . C42 C 0.18553(12) 0.37596(12) 0.97943(9) 0.0120(3) Uani 1 1 d . . . . . C30 C 0.21892(13) 0.50462(13) 0.62214(9) 0.0154(3) Uani 1 1 d . . . . . C58 C 0.13848(14) 0.68698(13) 0.87677(11) 0.0187(3) Uani 1 1 d . . . . . H58 H 0.151876 0.726136 0.907731 0.022 Uiso 1 1 calc R . . . . C44 C 0.31475(14) 0.37097(14) 1.05989(10) 0.0179(3) Uani 1 1 d . . . . . H44 H 0.381433 0.378296 1.065826 0.022 Uiso 1 1 calc R . . . . C28 C 0.03354(13) 0.23252(13) 0.59177(11) 0.0172(3) Uani 1 1 d . . . . . H28 H 0.028650 0.202278 0.553469 0.021 Uiso 1 1 calc R . . . . C76 C 0.56095(14) 0.65622(13) 0.72170(11) 0.0180(3) Uani 1 1 d . . . . . H76 H 0.621314 0.686808 0.702414 0.022 Uiso 1 1 calc R . . . . C43 C 0.28322(13) 0.38581(13) 0.98930(10) 0.0146(3) Uani 1 1 d . . . . . H43 H 0.328826 0.402881 0.947234 0.018 Uiso 1 1 calc R . . . . C71 C 0.62637(13) 0.27848(14) 0.77825(11) 0.0186(3) Uani 1 1 d . . . . . H71 H 0.632210 0.256496 0.830230 0.022 Uiso 1 1 calc R . . . . C49 C -0.05276(13) 0.41276(14) 0.90435(10) 0.0180(3) Uani 1 1 d . . . . . H49 H -0.043307 0.477708 0.904495 0.022 Uiso 1 1 calc R . . . . C14 C 0.51354(13) 0.06240(14) 0.74848(11) 0.0187(3) Uani 1 1 d . . . . . H14 H 0.570093 0.095119 0.722293 0.022 Uiso 1 1 calc R . . . . C35 C 0.13048(15) 0.53992(15) 0.59437(11) 0.0226(4) Uani 1 1 d . . . . . H35 H 0.077931 0.496721 0.599734 0.027 Uiso 1 1 calc R . . . . C15 C 0.50016(13) -0.03425(14) 0.75341(10) 0.0177(3) Uani 1 1 d . . . . . H15 H 0.547185 -0.067803 0.730313 0.021 Uiso 1 1 calc R . . . . C25 C 0.04762(13) 0.32099(13) 0.70369(10) 0.0168(3) Uani 1 1 d . . . . . H25 H 0.052179 0.351092 0.742107 0.020 Uiso 1 1 calc R . . . . C67 C 0.54465(13) 0.37380(14) 0.67371(10) 0.0179(3) Uani 1 1 d . . . . . H67 H 0.493489 0.416206 0.654237 0.022 Uiso 1 1 calc R . . . . C22 C 0.25472(13) 0.10315(13) 1.08560(10) 0.0163(3) Uani 1 1 d . . . . . H22 H 0.219308 0.133464 1.118320 0.020 Uiso 1 1 calc R . . . . C52 C -0.08220(15) 0.22218(15) 0.90444(11) 0.0227(4) Uani 1 1 d . . . . . H52 H -0.092059 0.157173 0.904635 0.027 Uiso 1 1 calc R . . . . C11 C 0.11519(14) 0.00012(14) 0.92139(10) 0.0176(3) Uani 1 1 d . . . . . H11 H 0.140689 -0.011686 0.968454 0.021 Uiso 1 1 calc R . . . . C55 C 0.10235(14) 0.57277(14) 0.78512(10) 0.0171(3) Uani 1 1 d . . . . . H55 H 0.091002 0.534149 0.753306 0.021 Uiso 1 1 calc R . . . . C37 C 0.34727(14) 0.40082(15) 0.52630(10) 0.0196(4) Uani 1 1 d . . . . . H37 H 0.320625 0.464084 0.511190 0.024 Uiso 1 1 calc R . . . . C59 C 0.15425(13) 0.58764(13) 0.90032(10) 0.0159(3) Uani 1 1 d . . . . . H59 H 0.177611 0.559288 0.947690 0.019 Uiso 1 1 calc R . . . . C20 C 0.37108(14) -0.01502(15) 1.06517(10) 0.0209(4) Uani 1 1 d . . . . . H20 H 0.415337 -0.065777 1.084066 0.025 Uiso 1 1 calc R . . . . C54 C 0.13618(12) 0.52938(12) 0.85523(9) 0.0123(3) Uani 1 1 d . . . . . C5 C 0.13662(13) -0.00517(14) 0.56808(10) 0.0161(3) Uani 1 1 d . . . . . H5A H 0.075852 -0.014403 0.546565 0.019 Uiso 1 1 calc R . . . . H5B H 0.133892 0.058938 0.577648 0.019 Uiso 1 1 calc R . . . . C75 C 0.47736(15) 0.71164(13) 0.72328(11) 0.0197(4) Uani 1 1 d . . . . . H75 H 0.480519 0.779984 0.704257 0.024 Uiso 1 1 calc R . . . . C46 C 0.15120(14) 0.33505(14) 1.11263(10) 0.0195(4) Uani 1 1 d . . . . . H46 H 0.105934 0.317621 1.154886 0.023 Uiso 1 1 calc R . . . . C8 C 0.03943(13) 0.03427(14) 0.78386(10) 0.0177(3) Uani 1 1 d . . . . . H8 H 0.013636 0.045852 0.736917 0.021 Uiso 1 1 calc R . . . . C4 C 0.14678(14) -0.08331(14) 0.63954(10) 0.0186(3) Uani 1 1 d . . . . . H4A H 0.145517 -0.147320 0.630000 0.022 Uiso 1 1 calc R . . . . H4B H 0.091266 -0.079880 0.675398 0.022 Uiso 1 1 calc R . . . . C57 C 0.10305(14) 0.72892(14) 0.80779(11) 0.0189(3) Uani 1 1 d . . . . . H57 H 0.090974 0.796499 0.792038 0.023 Uiso 1 1 calc R . . . . C51 C -0.16104(14) 0.28036(16) 0.91372(11) 0.0240(4) Uani 1 1 d . . . . . H51 H -0.224987 0.255196 0.920333 0.029 Uiso 1 1 calc R . . . . C27 C -0.04578(14) 0.23259(14) 0.64211(11) 0.0195(4) Uani 1 1 d . . . . . H27 H -0.104404 0.201777 0.638676 0.023 Uiso 1 1 calc R . . . . C73 C 0.38432(13) 0.56675(14) 0.77919(11) 0.0193(4) Uani 1 1 d . . . . . H73 H 0.323911 0.536506 0.798863 0.023 Uiso 1 1 calc R . . . . C9 C -0.00415(14) -0.03322(15) 0.84530(11) 0.0203(4) Uani 1 1 d . . . . . H9 H -0.059542 -0.067844 0.840368 0.024 Uiso 1 1 calc R . . . . C70 C 0.69304(14) 0.24779(15) 0.72983(13) 0.0249(4) Uani 1 1 d . . . . . H70 H 0.743323 0.204021 0.749041 0.030 Uiso 1 1 calc R . . . . C63 C 0.57925(15) 0.29031(15) 1.04119(11) 0.0230(4) Uani 1 1 d . . . . . H63 H 0.604296 0.271001 1.088654 0.028 Uiso 1 1 calc R . . . . C50 C -0.14633(14) 0.37538(16) 0.91333(11) 0.0231(4) Uani 1 1 d . . . . . H50 H -0.200455 0.415200 0.919221 0.028 Uiso 1 1 calc R . . . . C56 C 0.08541(14) 0.67147(14) 0.76204(11) 0.0203(4) Uani 1 1 d . . . . . H56 H 0.061678 0.700002 0.714827 0.024 Uiso 1 1 calc R . . . . C31 C 0.29414(15) 0.57027(15) 0.61434(13) 0.0247(4) Uani 1 1 d . . . . . H31 H 0.354151 0.548227 0.634408 0.030 Uiso 1 1 calc R . . . . C69 C 0.68619(15) 0.28097(16) 0.65357(13) 0.0266(4) Uani 1 1 d . . . . . H69 H 0.731894 0.260226 0.620717 0.032 Uiso 1 1 calc R . . . . C45 C 0.24859(14) 0.34541(14) 1.12174(10) 0.0186(3) Uani 1 1 d . . . . . H45 H 0.269901 0.335079 1.170051 0.022 Uiso 1 1 calc R . . . . C61 C 0.56149(14) 0.41136(14) 0.92457(11) 0.0198(4) Uani 1 1 d . . . . . H61 H 0.574180 0.474658 0.893057 0.024 Uiso 1 1 calc R . . . . C21 C 0.31890(14) 0.02856(14) 1.11323(10) 0.0187(3) Uani 1 1 d . . . . . H21 H 0.327083 0.007385 1.164910 0.022 Uiso 1 1 calc R . . . . C41 C 0.36701(14) 0.25038(14) 0.61983(11) 0.0192(4) Uani 1 1 d . . . . . H41 H 0.353339 0.210269 0.668967 0.023 Uiso 1 1 calc R . . . . C1 C 0.31318(13) 0.00579(15) 0.54419(10) 0.0185(3) Uani 1 1 d . . . . . H1A H 0.312639 0.070354 0.552922 0.022 Uiso 1 1 calc R . . . . H1B H 0.367722 0.003503 0.507243 0.022 Uiso 1 1 calc R . . . . C3 C 0.24108(14) -0.07256(15) 0.67278(10) 0.0208(4) Uani 1 1 d . . . . . H3A H 0.248384 -0.127042 0.717755 0.025 Uiso 1 1 calc R . . . . H3B H 0.239696 -0.011734 0.687369 0.025 Uiso 1 1 calc R . . . . C74 C 0.38930(15) 0.66726(14) 0.75261(13) 0.0241(4) Uani 1 1 d . . . . . H74 H 0.332528 0.705271 0.754575 0.029 Uiso 1 1 calc R . . . . C40 C 0.42805(14) 0.21649(16) 0.56996(12) 0.0234(4) Uani 1 1 d . . . . . H40 H 0.456367 0.153988 0.585205 0.028 Uiso 1 1 calc R . . . . C33 C 0.19463(19) 0.70139(15) 0.54976(12) 0.0285(5) Uani 1 1 d . . . . . H33 H 0.186776 0.767852 0.524558 0.034 Uiso 1 1 calc R . . . . C62 C 0.59744(15) 0.38249(15) 0.99468(11) 0.0238(4) Uani 1 1 d . . . . . H62 H 0.634599 0.426306 1.010601 0.029 Uiso 1 1 calc R . . . . C2 C 0.32682(14) -0.07139(15) 0.61597(10) 0.0196(4) Uani 1 1 d . . . . . H2A H 0.387431 -0.058951 0.636280 0.023 Uiso 1 1 calc R . . . . H2B H 0.332897 -0.135316 0.606210 0.023 Uiso 1 1 calc R . . . . C10 C 0.03356(15) -0.04991(15) 0.91401(11) 0.0231(4) Uani 1 1 d . . . . . H10 H 0.003494 -0.095663 0.956111 0.028 Uiso 1 1 calc R . . . . C68 C 0.61239(15) 0.34449(16) 0.62563(12) 0.0234(4) Uani 1 1 d . . . . . H68 H 0.608133 0.368001 0.573538 0.028 Uiso 1 1 calc R . . . . C34 C 0.11849(18) 0.63763(16) 0.55895(13) 0.0295(5) Uani 1 1 d . . . . . H34 H 0.057638 0.660743 0.540948 0.035 Uiso 1 1 calc R . . . . C32 C 0.28236(18) 0.66737(16) 0.57765(14) 0.0318(5) Uani 1 1 d . . . . . H32 H 0.334866 0.710792 0.571625 0.038 Uiso 1 1 calc R . . . . C38 C 0.40773(16) 0.36642(17) 0.47639(12) 0.0272(4) Uani 1 1 d . . . . . H38 H 0.421932 0.406314 0.427245 0.033 Uiso 1 1 calc R . . . . B3 B 0.11097(14) 0.13075(14) 0.39676(11) 0.0130(3) Uani 1 1 d . . . . . H3 H 0.039217 0.150095 0.421018 0.016 Uiso 1 1 calc R . . . . C39 C 0.44721(15) 0.27452(17) 0.49794(13) 0.0265(4) Uani 1 1 d . . . . . H39 H 0.487487 0.251147 0.463375 0.032 Uiso 1 1 calc R . . . . B1 B 0.21354(15) 0.17589(14) 0.41948(11) 0.0142(3) Uani 1 1 d . . . . . H1 H 0.222079 0.223332 0.456473 0.017 Uiso 1 1 calc R . . . . B8 B 0.25707(14) 0.11482(14) 0.28461(10) 0.0130(3) Uani 1 1 d . . . . . H8A H 0.304311 0.139247 0.231616 0.016 Uiso 1 1 calc R . . . . B2 B 0.20968(13) 0.05480(14) 0.43638(10) 0.0111(3) Uani 1 1 d . . . . . B4 B 0.20020(14) 0.20368(14) 0.32730(11) 0.0135(3) Uani 1 1 d . . . . . H4 H 0.199035 0.281968 0.295403 0.016 Uiso 1 1 calc R . . . . B7 B 0.26407(14) 0.00731(14) 0.36445(11) 0.0128(3) Uani 1 1 d . . . . . H7A H 0.316573 -0.054594 0.376133 0.015 Uiso 1 1 calc R . . . . B5 B 0.29946(14) 0.12630(14) 0.37042(10) 0.0128(3) Uani 1 1 d . . . . . H5 H 0.377529 0.142127 0.373858 0.015 Uiso 1 1 calc R . . . . B9 B 0.12443(14) 0.11690(14) 0.30328(11) 0.0133(3) Uani 1 1 d . . . . . H9A H 0.065245 0.142749 0.265147 0.016 Uiso 1 1 calc R . . . . B6 B 0.13140(14) 0.01020(14) 0.38277(11) 0.0130(3) Uani 1 1 d . . . . . H6 H 0.078456 -0.049475 0.408940 0.016 Uiso 1 1 calc R . . . . B10 B 0.18659(14) 0.01538(15) 0.29739(11) 0.0143(3) Uani 1 1 d . . . . . H10A H 0.178750 -0.032243 0.260424 0.017 Uiso 1 1 calc R . . . . C78 C 0.1673(3) 0.4345(3) 0.36154(18) 0.0714(12) Uani 1 1 d . . . . . H78A H 0.125791 0.376806 0.370723 0.086 Uiso 1 1 calc R . . . . H78B H 0.234922 0.411815 0.368641 0.086 Uiso 1 1 calc R . . . . 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 Ag01 0.01059(6) 0.01101(6) 0.01083(5) -0.00276(4) -0.00114(4) -0.00057(4) P1 0.01031(18) 0.00930(19) 0.01100(18) -0.00273(15) -0.00076(14) -0.00002(14) P2 0.01196(19) 0.0140(2) 0.00987(18) -0.00301(15) -0.00176(14) -0.00074(15) P3 0.01106(19) 0.01120(19) 0.01052(18) -0.00290(15) -0.00013(14) 0.00122(14) P4 0.00930(18) 0.01006(19) 0.01444(19) -0.00256(15) -0.00156(14) -0.00155(14) Cl2 0.0394(3) 0.0421(3) 0.0313(3) -0.0137(3) -0.0090(2) 0.0081(3) Cl1 0.0649(5) 0.0375(3) 0.0293(3) -0.0072(3) -0.0052(3) 0.0165(3) O1 0.0110(5) 0.0149(6) 0.0103(5) -0.0017(4) -0.0011(4) -0.0010(4) C18 0.0116(7) 0.0106(7) 0.0135(7) -0.0029(6) -0.0016(6) -0.0015(5) C24 0.0145(8) 0.0118(7) 0.0116(7) -0.0014(6) -0.0028(6) -0.0002(6) C17 0.0159(8) 0.0121(8) 0.0148(7) -0.0034(6) 0.0002(6) 0.0006(6) C19 0.0172(8) 0.0199(9) 0.0142(8) -0.0057(7) -0.0017(6) 0.0054(6) C12 0.0120(7) 0.0116(7) 0.0112(7) -0.0030(6) -0.0010(5) 0.0011(5) C47 0.0154(8) 0.0172(8) 0.0139(7) -0.0022(6) -0.0001(6) 0.0015(6) C6 0.0109(7) 0.0099(7) 0.0135(7) -0.0035(6) -0.0007(5) -0.0001(5) C36 0.0122(7) 0.0190(8) 0.0138(7) -0.0069(6) -0.0023(6) -0.0012(6) C60 0.0114(7) 0.0135(8) 0.0157(8) -0.0025(6) -0.0013(6) -0.0008(6) C48 0.0117(7) 0.0154(8) 0.0103(7) -0.0029(6) -0.0009(5) 0.0002(6) C29 0.0157(8) 0.0160(8) 0.0140(7) -0.0042(6) -0.0034(6) 0.0011(6) C66 0.0104(7) 0.0123(7) 0.0188(8) -0.0058(6) -0.0002(6) -0.0027(6) C53 0.0173(8) 0.0169(9) 0.0195(8) -0.0047(7) -0.0019(6) 0.0004(6) C23 0.0135(8) 0.0132(8) 0.0160(8) -0.0052(6) -0.0018(6) 0.0010(6) C77 0.0116(7) 0.0145(8) 0.0191(8) -0.0029(6) 0.0009(6) -0.0022(6) C16 0.0196(8) 0.0146(8) 0.0160(8) -0.0065(6) -0.0023(6) 0.0033(6) C65 0.0174(8) 0.0131(8) 0.0205(8) -0.0022(7) -0.0034(6) -0.0009(6) C72 0.0129(7) 0.0109(7) 0.0143(7) -0.0035(6) -0.0011(6) -0.0020(6) C13 0.0121(7) 0.0153(8) 0.0182(8) -0.0064(6) -0.0012(6) -0.0012(6) C64 0.0243(10) 0.0164(9) 0.0198(9) 0.0014(7) -0.0051(7) 0.0007(7) C7 0.0154(8) 0.0144(8) 0.0136(7) -0.0024(6) -0.0032(6) 0.0003(6) C26 0.0144(8) 0.0230(9) 0.0232(9) -0.0062(8) 0.0015(7) -0.0015(7) C42 0.0139(7) 0.0097(7) 0.0117(7) -0.0024(6) 0.0003(6) 0.0018(5) C30 0.0194(8) 0.0154(8) 0.0114(7) -0.0040(6) -0.0008(6) -0.0006(6) C58 0.0204(9) 0.0134(8) 0.0230(9) -0.0063(7) -0.0018(7) 0.0002(6) C44 0.0176(8) 0.0182(9) 0.0184(8) -0.0049(7) -0.0051(6) -0.0002(6) C28 0.0181(8) 0.0143(8) 0.0206(8) -0.0057(7) -0.0073(7) 0.0012(6) C76 0.0171(8) 0.0146(8) 0.0216(9) -0.0043(7) 0.0022(7) -0.0061(6) C43 0.0139(8) 0.0164(8) 0.0129(7) -0.0036(6) 0.0004(6) 0.0001(6) C71 0.0111(8) 0.0185(9) 0.0256(9) -0.0050(7) -0.0014(6) 0.0001(6) C49 0.0149(8) 0.0197(9) 0.0199(8) -0.0067(7) -0.0015(6) 0.0037(6) C14 0.0115(8) 0.0248(10) 0.0209(9) -0.0087(7) 0.0005(6) -0.0002(6) C35 0.0246(10) 0.0190(9) 0.0228(9) -0.0012(7) -0.0098(7) 0.0000(7) C15 0.0150(8) 0.0238(9) 0.0169(8) -0.0098(7) -0.0033(6) 0.0061(7) C25 0.0177(8) 0.0176(8) 0.0153(8) -0.0051(7) -0.0009(6) -0.0005(6) C67 0.0154(8) 0.0194(9) 0.0199(8) -0.0065(7) -0.0019(6) -0.0018(6) C22 0.0160(8) 0.0198(9) 0.0145(8) -0.0074(7) -0.0002(6) -0.0007(6) C52 0.0234(10) 0.0206(9) 0.0233(9) -0.0041(8) -0.0027(7) -0.0066(7) C11 0.0184(8) 0.0205(9) 0.0132(8) -0.0030(7) -0.0015(6) -0.0064(7) C55 0.0201(9) 0.0174(9) 0.0125(7) -0.0021(6) -0.0008(6) 0.0005(6) C37 0.0210(9) 0.0217(9) 0.0153(8) -0.0042(7) 0.0009(7) -0.0026(7) C59 0.0163(8) 0.0142(8) 0.0167(8) -0.0036(6) -0.0022(6) 0.0022(6) C20 0.0221(9) 0.0239(10) 0.0153(8) -0.0028(7) -0.0056(7) 0.0084(7) C54 0.0111(7) 0.0125(7) 0.0121(7) -0.0021(6) 0.0015(5) 0.0017(5) C5 0.0124(8) 0.0213(9) 0.0124(7) -0.0019(6) 0.0015(6) 0.0013(6) C75 0.0243(9) 0.0113(8) 0.0224(9) -0.0043(7) 0.0026(7) -0.0010(7) C46 0.0229(9) 0.0227(9) 0.0111(7) -0.0026(7) 0.0022(6) 0.0015(7) C8 0.0171(8) 0.0195(9) 0.0176(8) -0.0059(7) -0.0063(6) 0.0006(6) C4 0.0179(8) 0.0232(9) 0.0116(7) -0.0001(7) 0.0003(6) -0.0020(7) C57 0.0169(8) 0.0131(8) 0.0226(9) 0.0006(7) 0.0027(7) 0.0012(6) C51 0.0149(9) 0.0359(12) 0.0202(9) -0.0053(8) -0.0029(7) -0.0070(8) C27 0.0156(8) 0.0156(8) 0.0269(9) -0.0042(7) -0.0056(7) -0.0014(6) C73 0.0137(8) 0.0153(8) 0.0275(9) -0.0054(7) 0.0045(7) -0.0021(6) C9 0.0147(8) 0.0253(10) 0.0226(9) -0.0089(8) -0.0026(7) -0.0056(7) C70 0.0135(8) 0.0233(10) 0.0393(12) -0.0117(9) 0.0006(8) 0.0020(7) C63 0.0238(10) 0.0254(10) 0.0179(9) -0.0014(7) -0.0073(7) 0.0002(8) C50 0.0139(8) 0.0317(11) 0.0237(9) -0.0078(8) -0.0017(7) 0.0033(7) C56 0.0209(9) 0.0192(9) 0.0166(8) 0.0014(7) -0.0012(7) 0.0027(7) C31 0.0217(10) 0.0197(10) 0.0349(11) -0.0113(8) -0.0015(8) -0.0017(7) C69 0.0155(9) 0.0334(11) 0.0351(11) -0.0188(9) 0.0076(8) -0.0034(8) C45 0.0254(9) 0.0166(9) 0.0136(8) -0.0031(7) -0.0052(7) 0.0013(7) C61 0.0214(9) 0.0185(9) 0.0181(8) -0.0012(7) -0.0049(7) -0.0069(7) C21 0.0181(9) 0.0246(10) 0.0133(8) -0.0043(7) -0.0033(6) 0.0003(7) C41 0.0153(8) 0.0216(9) 0.0226(9) -0.0085(7) -0.0035(7) -0.0004(7) C1 0.0132(8) 0.0252(10) 0.0149(8) -0.0004(7) -0.0051(6) -0.0045(7) C3 0.0224(9) 0.0244(10) 0.0134(8) -0.0012(7) -0.0036(7) -0.0006(7) C74 0.0196(9) 0.0134(9) 0.0381(12) -0.0075(8) 0.0049(8) 0.0025(7) C40 0.0153(9) 0.0250(10) 0.0346(11) -0.0160(9) -0.0035(7) 0.0016(7) C33 0.0485(14) 0.0139(9) 0.0211(10) -0.0026(8) -0.0001(9) 0.0024(9) C62 0.0248(10) 0.0253(10) 0.0213(9) -0.0039(8) -0.0095(7) -0.0075(8) C2 0.0176(9) 0.0243(10) 0.0141(8) 0.0001(7) -0.0059(6) 0.0013(7) C10 0.0213(9) 0.0274(10) 0.0187(9) -0.0031(8) 0.0016(7) -0.0119(8) C68 0.0194(9) 0.0298(11) 0.0239(9) -0.0129(8) 0.0024(7) -0.0055(8) C34 0.0383(13) 0.0215(10) 0.0272(11) -0.0017(8) -0.0141(9) 0.0056(9) C32 0.0350(12) 0.0178(10) 0.0428(13) -0.0110(9) 0.0070(10) -0.0071(8) C38 0.0271(11) 0.0365(12) 0.0188(9) -0.0109(9) 0.0069(8) -0.0067(9) B3 0.0129(8) 0.0133(9) 0.0128(8) -0.0035(7) -0.0009(6) 0.0002(6) C39 0.0172(9) 0.0375(12) 0.0310(11) -0.0214(10) 0.0054(8) -0.0038(8) B1 0.0166(9) 0.0129(9) 0.0127(8) -0.0034(7) 0.0007(7) -0.0024(7) B8 0.0135(8) 0.0141(9) 0.0106(8) -0.0023(7) -0.0004(6) -0.0002(6) B2 0.0116(8) 0.0121(8) 0.0084(7) -0.0007(6) -0.0015(6) -0.0005(6) B4 0.0145(9) 0.0129(9) 0.0125(8) -0.0026(7) -0.0004(6) -0.0008(6) B7 0.0120(8) 0.0130(8) 0.0132(8) -0.0035(7) -0.0006(6) -0.0005(6) B5 0.0131(8) 0.0129(8) 0.0114(8) -0.0014(7) -0.0010(6) -0.0027(6) B9 0.0121(8) 0.0157(9) 0.0119(8) -0.0035(7) -0.0018(6) -0.0003(6) B6 0.0121(8) 0.0132(9) 0.0138(8) -0.0038(7) -0.0014(6) -0.0022(6) B10 0.0145(9) 0.0164(9) 0.0133(8) -0.0058(7) -0.0023(6) -0.0003(7) C78 0.129(4) 0.051(2) 0.0367(16) -0.0170(15) -0.0186(19) 0.045(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 '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' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 P1 Ag01 P3 107.644(14) . . P1 Ag01 P4 109.018(14) . . P2 Ag01 P1 113.227(14) . . P2 Ag01 P3 109.287(14) . . P2 Ag01 P4 106.544(14) . . P3 Ag01 P4 111.162(14) . . C18 P1 Ag01 114.89(5) . . C18 P1 C6 102.36(8) . . C12 P1 Ag01 114.49(6) . . C12 P1 C18 102.78(8) . . C12 P1 C6 100.57(8) . . C6 P1 Ag01 119.40(6) . . C24 P2 Ag01 110.34(6) . . C24 P2 C36 101.87(8) . . C24 P2 C30 102.82(8) . . C36 P2 Ag01 117.53(6) . . C30 P2 Ag01 119.34(6) . . C30 P2 C36 102.65(8) . . C48 P3 Ag01 116.83(6) . . C48 P3 C54 102.25(8) . . C42 P3 Ag01 111.53(5) . . C42 P3 C48 103.79(8) . . C42 P3 C54 102.11(8) . . C54 P3 Ag01 118.35(5) . . C60 P4 Ag01 117.31(6) . . C66 P4 Ag01 116.55(6) . . C66 P4 C60 103.10(8) . . C72 P4 Ag01 112.45(6) . . C72 P4 C60 104.15(8) . . C72 P4 C66 101.33(8) . . C5 O1 B2 113.03(12) . . C1 O1 C5 112.06(13) . . C1 O1 B2 112.86(12) . . C19 C18 P1 123.23(13) . . C19 C18 C23 118.97(16) . . C23 C18 P1 117.80(13) . . C29 C24 P2 122.60(13) . . C25 C24 P2 118.13(13) . . C25 C24 C29 119.27(16) . . C12 C17 H17 119.9 . . C16 C17 H17 119.9 . . C16 C17 C12 120.12(16) . . C18 C19 H19 119.9 . . C18 C19 C20 120.12(17) . . C20 C19 H19 119.9 . . C17 C12 P1 121.98(13) . . C13 C12 P1 119.18(13) . . C13 C12 C17 118.84(15) . . C42 C47 H47 120.0 . . C46 C47 H47 120.0 . . C46 C47 C42 120.05(17) . . C7 C6 P1 117.57(13) . . C11 C6 P1 123.30(13) . . C11 C6 C7 119.07(16) . . C37 C36 P2 123.63(14) . . C41 C36 P2 117.36(14) . . C41 C36 C37 118.89(17) . . C65 C60 P4 117.91(13) . . C61 C60 P4 123.08(14) . . C61 C60 C65 119.00(17) . . C53 C48 P3 118.54(13) . . C53 C48 C49 118.80(17) . . C49 C48 P3 122.65(14) . . C24 C29 H29 120.1 . . C28 C29 C24 119.89(17) . . C28 C29 H29 120.1 . . C71 C66 P4 123.31(14) . . C71 C66 C67 118.86(17) . . C67 C66 P4 117.76(13) . . C48 C53 H53 119.5 . . C52 C53 C48 120.92(18) . . C52 C53 H53 119.5 . . C18 C23 H23 119.7 . . C22 C23 C18 120.66(16) . . C22 C23 H23 119.7 . . C72 C77 H77 119.9 . . C76 C77 H77 119.9 . . C76 C77 C72 120.26(17) . . C17 C16 H16 119.7 . . C17 C16 C15 120.64(17) . . C15 C16 H16 119.7 . . C60 C65 H65 119.6 . . C64 C65 C60 120.86(17) . . C64 C65 H65 119.6 . . C77 C72 P4 122.11(13) . . C73 C72 P4 118.67(13) . . C73 C72 C77 119.21(16) . . C12 C13 H13 119.6 . . C14 C13 C12 120.82(17) . . C14 C13 H13 119.6 . . C65 C64 H64 120.2 . . C63 C64 C65 119.61(18) . . C63 C64 H64 120.2 . . C6 C7 H7 119.8 . . C8 C7 C6 120.40(16) . . C8 C7 H7 119.8 . . C25 C26 H26 119.9 . . C25 C26 C27 120.13(18) . . C27 C26 H26 119.9 . . C47 C42 P3 124.01(13) . . C43 C42 P3 117.04(13) . . C43 C42 C47 118.95(16) . . C35 C30 P2 122.51(14) . . C31 C30 P2 119.32(15) . . C31 C30 C35 118.16(18) . . C59 C58 H58 120.0 . . C59 C58 C57 119.97(17) . . C57 C58 H58 120.0 . . C43 C44 H44 120.0 . . C45 C44 H44 120.0 . . C45 C44 C43 119.92(17) . . C29 C28 H28 119.8 . . C27 C28 C29 120.49(17) . . C27 C28 H28 119.8 . . C77 C76 H76 120.0 . . C77 C76 C75 120.03(17) . . C75 C76 H76 120.0 . . C42 C43 H43 119.6 . . C44 C43 C42 120.88(16) . . C44 C43 H43 119.6 . . C66 C71 H71 119.8 . . C70 C71 C66 120.30(19) . . C70 C71 H71 119.8 . . C48 C49 H49 120.0 . . C50 C49 C48 120.05(18) . . C50 C49 H49 120.0 . . C13 C14 H14 120.0 . . C15 C14 C13 119.93(17) . . C15 C14 H14 120.0 . . C30 C35 H35 119.6 . . C34 C35 C30 120.7(2) . . C34 C35 H35 119.6 . . C16 C15 H15 120.2 . . C14 C15 C16 119.63(17) . . C14 C15 H15 120.2 . . C24 C25 H25 119.7 . . C26 C25 C24 120.56(17) . . C26 C25 H25 119.7 . . C66 C67 H67 119.7 . . C68 C67 C66 120.60(18) . . C68 C67 H67 119.7 . . C23 C22 H22 120.0 . . C21 C22 C23 120.00(17) . . C21 C22 H22 120.0 . . C53 C52 H52 120.1 . . C51 C52 C53 119.78(19) . . C51 C52 H52 120.1 . . C6 C11 H11 119.9 . . C10 C11 C6 120.18(17) . . C10 C11 H11 119.9 . . C54 C55 H55 119.7 . . C56 C55 H55 119.7 . . C56 C55 C54 120.51(17) . . C36 C37 H37 120.0 . . C38 C37 C36 120.03(19) . . C38 C37 H37 120.0 . . C58 C59 H59 119.6 . . C54 C59 C58 120.75(17) . . C54 C59 H59 119.6 . . C19 C20 H20 119.8 . . C21 C20 C19 120.42(17) . . C21 C20 H20 119.8 . . C55 C54 P3 118.46(13) . . C59 C54 P3 122.76(13) . . C59 C54 C55 118.77(16) . . O1 C5 H5A 109.9 . . O1 C5 H5B 109.9 . . O1 C5 C4 108.75(14) . . H5A C5 H5B 108.3 . . C4 C5 H5A 109.9 . . C4 C5 H5B 109.9 . . C76 C75 H75 119.9 . . C74 C75 C76 120.13(17) . . C74 C75 H75 119.9 . . C47 C46 H46 119.8 . . C45 C46 C47 120.48(17) . . C45 C46 H46 119.8 . . C7 C8 H8 119.9 . . C7 C8 C9 120.23(17) . . C9 C8 H8 119.9 . . C5 C4 H4A 109.4 . . C5 C4 H4B 109.4 . . C5 C4 C3 111.09(16) . . H4A C4 H4B 108.0 . . C3 C4 H4A 109.4 . . C3 C4 H4B 109.4 . . C58 C57 H57 120.1 . . C56 C57 C58 119.76(17) . . C56 C57 H57 120.1 . . C52 C51 H51 120.0 . . C52 C51 C50 119.93(18) . . C50 C51 H51 120.0 . . C26 C27 H27 120.2 . . C28 C27 C26 119.63(17) . . C28 C27 H27 120.2 . . C72 C73 H73 119.8 . . C72 C73 C74 120.45(17) . . C74 C73 H73 119.8 . . C8 C9 H9 120.1 . . C8 C9 C10 119.81(17) . . C10 C9 H9 120.1 . . C71 C70 H70 119.9 . . C69 C70 C71 120.29(19) . . C69 C70 H70 119.9 . . C64 C63 H63 120.0 . . C62 C63 C64 119.98(18) . . C62 C63 H63 120.0 . . C49 C50 H50 119.7 . . C51 C50 C49 120.51(18) . . C51 C50 H50 119.7 . . C55 C56 C57 120.22(18) . . C55 C56 H56 119.9 . . C57 C56 H56 119.9 . . C30 C31 H31 119.6 . . C32 C31 C30 120.8(2) . . C32 C31 H31 119.6 . . C70 C69 H69 120.1 . . C68 C69 C70 119.77(19) . . C68 C69 H69 120.1 . . C44 C45 H45 120.1 . . C46 C45 C44 119.72(17) . . C46 C45 H45 120.1 . . C60 C61 H61 120.0 . . C60 C61 C62 120.09(18) . . C62 C61 H61 120.0 . . C22 C21 C20 119.82(17) . . C22 C21 H21 120.1 . . C20 C21 H21 120.1 . . C36 C41 H41 119.5 . . C36 C41 C40 120.93(19) . . C40 C41 H41 119.5 . . O1 C1 H1A 109.7 . . O1 C1 H1B 109.7 . . O1 C1 C2 109.62(15) . . H1A C1 H1B 108.2 . . C2 C1 H1A 109.7 . . C2 C1 H1B 109.7 . . C4 C3 H3A 109.7 . . C4 C3 H3B 109.7 . . C4 C3 C2 109.78(15) . . H3A C3 H3B 108.2 . . C2 C3 H3A 109.7 . . C2 C3 H3B 109.7 . . C75 C74 C73 119.91(18) . . C75 C74 H74 120.0 . . C73 C74 H74 120.0 . . C41 C40 H40 120.2 . . C39 C40 C41 119.62(19) . . C39 C40 H40 120.2 . . C34 C33 H33 120.3 . . C34 C33 C32 119.3(2) . . C32 C33 H33 120.3 . . C63 C62 C61 120.45(18) . . C63 C62 H62 119.8 . . C61 C62 H62 119.8 . . C1 C2 C3 110.79(16) . . C1 C2 H2A 109.5 . . C1 C2 H2B 109.5 . . C3 C2 H2A 109.5 . . C3 C2 H2B 109.5 . . H2A C2 H2B 108.1 . . C11 C10 H10 119.9 . . C9 C10 C11 120.30(18) . . C9 C10 H10 119.9 . . C67 C68 H68 119.9 . . C69 C68 C67 120.2(2) . . C69 C68 H68 119.9 . . C35 C34 H34 119.8 . . C33 C34 C35 120.4(2) . . C33 C34 H34 119.8 . . C31 C32 H32 119.8 . . C33 C32 C31 120.5(2) . . C33 C32 H32 119.8 . . C37 C38 H38 119.8 . . C39 C38 C37 120.4(2) . . C39 C38 H38 119.8 . . B1 B3 H3 118.1 . . B1 B3 B2 57.31(11) . . B1 B3 B4 56.92(11) . . B1 B3 B9 112.05(14) . . B1 B3 B6 112.05(14) . . B2 B3 H3 132.8 . . B2 B3 B4 88.06(12) . . B2 B3 B9 99.42(13) . . B2 B3 B6 58.65(10) . . B4 B3 H3 131.5 . . B4 B3 B6 101.55(13) . . B9 B3 H3 121.1 . . B9 B3 B4 59.91(10) . . B9 B3 B6 59.81(11) . . B6 B3 H3 120.7 . . C40 C39 H39 120.0 . . C38 C39 C40 120.07(19) . . C38 C39 H39 120.0 . . B3 B1 H1 130.1 . . B3 B1 B5 99.76(13) . . B2 B1 B3 64.10(11) . . B2 B1 H1 132.2 . . B2 B1 B4 96.86(13) . . B2 B1 B5 64.00(11) . . B4 B1 B3 65.27(12) . . B4 B1 H1 131.0 . . B4 B1 B5 65.39(12) . . B5 B1 H1 130.1 . . B4 B8 H8A 120.1 . . B4 B8 B7 102.34(13) . . B4 B8 B9 59.75(11) . . B7 B8 H8A 131.1 . . B7 B8 B9 89.74(12) . . B5 B8 H8A 119.9 . . B5 B8 B4 60.66(11) . . B5 B8 B7 60.22(10) . . B5 B8 B9 102.17(13) . . B9 B8 H8A 131.3 . . B10 B8 H8A 118.0 . . B10 B8 B4 112.67(14) . . B10 B8 B7 57.22(11) . . B10 B8 B5 112.93(14) . . B10 B8 B9 57.34(11) . . O1 B2 B3 131.42(14) . . O1 B2 B1 119.36(14) . . O1 B2 B7 114.44(13) . . O1 B2 B5 129.17(14) . . O1 B2 B6 115.95(13) . . B1 B2 B3 58.59(11) . . B1 B2 B7 116.01(14) . . B1 B2 B5 58.66(11) . . B1 B2 B6 116.13(14) . . B7 B2 B3 106.00(13) . . B7 B2 B5 61.42(11) . . B5 B2 B3 93.12(12) . . B6 B2 B3 61.79(11) . . B6 B2 B7 61.98(11) . . B6 B2 B5 105.58(13) . . B3 B4 H4 130.5 . . B3 B4 B5 90.78(12) . . B1 B4 B3 57.80(11) . . B1 B4 B8 112.63(14) . . B1 B4 H4 117.8 . . B1 B4 B5 57.76(11) . . B1 B4 B9 112.64(14) . . B8 B4 B3 102.47(13) . . B8 B4 H4 120.2 . . B8 B4 B5 59.39(10) . . B8 B4 B9 60.52(11) . . B5 B4 H4 131.0 . . B9 B4 B3 59.67(10) . . B9 B4 H4 120.4 . . B9 B4 B5 101.82(13) . . B8 B7 H7A 131.7 . . B8 B7 B6 89.91(12) . . B2 B7 B8 99.66(13) . . B2 B7 H7A 122.0 . . B2 B7 B5 59.59(10) . . B2 B7 B6 58.91(10) . . B5 B7 B8 59.28(10) . . B5 B7 H7A 120.4 . . B5 B7 B6 102.04(13) . . B6 B7 H7A 130.8 . . B10 B7 B8 57.44(11) . . B10 B7 B2 110.98(14) . . B10 B7 H7A 118.3 . . B10 B7 B5 112.28(14) . . B10 B7 B6 57.45(11) . . B1 B5 B8 112.30(14) . . B1 B5 B2 57.34(11) . . B1 B5 B4 56.85(11) . . B1 B5 B7 112.55(14) . . B1 B5 H5 118.0 . . B8 B5 B4 59.95(11) . . B8 B5 B7 60.49(11) . . B8 B5 H5 120.6 . . B2 B5 B8 100.09(13) . . B2 B5 B4 88.02(12) . . B2 B5 B7 59.00(10) . . B2 B5 H5 132.7 . . B4 B5 H5 131.6 . . B7 B5 B4 102.03(13) . . B7 B5 H5 120.1 . . B3 B9 B8 102.44(13) . . B3 B9 B4 60.42(10) . . B3 B9 H9A 119.6 . . B3 B9 B6 60.65(10) . . B8 B9 H9A 131.2 . . B4 B9 B8 59.73(11) . . B4 B9 H9A 120.2 . . B4 B9 B6 102.51(13) . . B6 B9 B8 90.26(12) . . B6 B9 H9A 130.6 . . B10 B9 B3 113.62(14) . . B10 B9 B8 57.32(11) . . B10 B9 B4 112.64(14) . . B10 B9 H9A 117.7 . . B10 B9 B6 57.65(11) . . B3 B6 H6 120.1 . . B2 B6 B3 59.56(10) . . B2 B6 B7 59.11(10) . . B2 B6 B9 99.87(13) . . B2 B6 H6 121.9 . . B7 B6 B3 102.32(12) . . B7 B6 H6 130.7 . . B9 B6 B3 59.54(10) . . B9 B6 B7 90.08(12) . . B9 B6 H6 131.5 . . B10 B6 B3 112.55(14) . . B10 B6 B2 110.89(14) . . B10 B6 B7 57.14(11) . . B10 B6 B9 57.58(11) . . B10 B6 H6 118.3 . . B8 B10 B9 65.34(12) . . B8 B10 B6 99.29(13) . . B8 B10 H10A 130.2 . . B7 B10 B8 65.34(12) . . B7 B10 B9 99.30(13) . . B7 B10 B6 65.41(11) . . B7 B10 H10A 130.2 . . B9 B10 B6 64.77(12) . . B9 B10 H10A 130.5 . . B6 B10 H10A 130.5 . . Cl2 C78 Cl1 114.42(18) . . Cl2 C78 H78A 108.7 . . Cl2 C78 H78B 108.7 . . Cl1 C78 H78A 108.7 . . Cl1 C78 H78B 108.7 . . H78A C78 H78B 107.6 . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Ag01 P1 2.6247(4) . Ag01 P2 2.6147(4) . Ag01 P3 2.6301(4) . Ag01 P4 2.6322(4) . P1 C18 1.8291(17) . P1 C12 1.8228(17) . P1 C6 1.8312(17) . P2 C24 1.8267(18) . P2 C36 1.8304(18) . P2 C30 1.8291(19) . P3 C48 1.8297(18) . P3 C42 1.8275(17) . P3 C54 1.8320(17) . P4 C60 1.8329(18) . P4 C66 1.8307(18) . P4 C72 1.8243(17) . Cl2 C78 1.730(3) . Cl1 C78 1.755(3) . O1 C5 1.482(2) . O1 C1 1.469(2) . O1 B2 1.540(2) . C18 C19 1.395(2) . C18 C23 1.399(2) . C24 C29 1.400(2) . C24 C25 1.396(2) . C17 H17 0.9500 . C17 C12 1.401(2) . C17 C16 1.387(2) . C19 H19 0.9500 . C19 C20 1.396(3) . C12 C13 1.396(2) . C47 H47 0.9500 . C47 C42 1.398(2) . C47 C46 1.395(3) . C6 C7 1.402(2) . C6 C11 1.398(2) . C36 C37 1.399(3) . C36 C41 1.393(3) . C60 C65 1.398(2) . C60 C61 1.395(2) . C48 C53 1.398(3) . C48 C49 1.401(2) . C29 H29 0.9500 . C29 C28 1.394(3) . C66 C71 1.396(2) . C66 C67 1.402(3) . C53 H53 0.9500 . C53 C52 1.392(3) . C23 H23 0.9500 . C23 C22 1.391(2) . C77 H77 0.9500 . C77 C72 1.404(2) . C77 C76 1.389(2) . C16 H16 0.9500 . C16 C15 1.393(3) . C65 H65 0.9500 . C65 C64 1.395(3) . C72 C73 1.391(2) . C13 H13 0.9500 . C13 C14 1.393(2) . C64 H64 0.9500 . C64 C63 1.391(3) . C7 H7 0.9500 . C7 C8 1.388(2) . C26 H26 0.9500 . C26 C25 1.388(3) . C26 C27 1.392(3) . C42 C43 1.395(2) . C30 C35 1.397(3) . C30 C31 1.396(3) . C58 H58 0.9500 . C58 C59 1.392(3) . C58 C57 1.393(3) . C44 H44 0.9500 . C44 C43 1.391(2) . C44 C45 1.390(3) . C28 H28 0.9500 . C28 C27 1.390(3) . C76 H76 0.9500 . C76 C75 1.391(3) . C43 H43 0.9500 . C71 H71 0.9500 . C71 C70 1.395(3) . C49 H49 0.9500 . C49 C50 1.394(3) . C14 H14 0.9500 . C14 C15 1.387(3) . C35 H35 0.9500 . C35 C34 1.391(3) . C15 H15 0.9500 . C25 H25 0.9500 . C67 H67 0.9500 . C67 C68 1.390(3) . C22 H22 0.9500 . C22 C21 1.388(3) . C52 H52 0.9500 . C52 C51 1.388(3) . C11 H11 0.9500 . C11 C10 1.393(3) . C55 H55 0.9500 . C55 C54 1.405(2) . C55 C56 1.386(3) . C37 H37 0.9500 . C37 C38 1.394(3) . C59 H59 0.9500 . C59 C54 1.392(2) . C20 H20 0.9500 . C20 C21 1.388(3) . C5 H5A 0.9900 . C5 H5B 0.9900 . C5 C4 1.507(2) . C75 H75 0.9500 . C75 C74 1.389(3) . C46 H46 0.9500 . C46 C45 1.389(3) . C8 H8 0.9500 . C8 C9 1.390(3) . C4 H4A 0.9900 . C4 H4B 0.9900 . C4 C3 1.522(3) . C57 H57 0.9500 . C57 C56 1.392(3) . C51 H51 0.9500 . C51 C50 1.389(3) . C27 H27 0.9500 . C73 H73 0.9500 . C73 C74 1.396(3) . C9 H9 0.9500 . C9 C10 1.391(3) . C70 H70 0.9500 . C70 C69 1.391(3) . C63 H63 0.9500 . C63 C62 1.387(3) . C50 H50 0.9500 . C56 H56 0.9500 . C31 H31 0.9500 . C31 C32 1.388(3) . C69 H69 0.9500 . C69 C68 1.388(3) . C45 H45 0.9500 . C61 H61 0.9500 . C61 C62 1.397(3) . C21 H21 0.9500 . C41 H41 0.9500 . C41 C40 1.393(3) . C1 H1A 0.9900 . C1 H1B 0.9900 . C1 C2 1.512(3) . C3 H3A 0.9900 . C3 H3B 0.9900 . C3 C2 1.528(3) . C74 H74 0.9500 . C40 H40 0.9500 . C40 C39 1.387(3) . C33 H33 0.9500 . C33 C34 1.384(3) . C33 C32 1.384(4) . C62 H62 0.9500 . C2 H2A 0.9900 . C2 H2B 0.9900 . C10 H10 0.9500 . C68 H68 0.9500 . C34 H34 0.9500 . C32 H32 0.9500 . C38 H38 0.9500 . C38 C39 1.384(3) . B3 H3 1.1200 . B3 B1 1.710(3) . B3 B2 1.802(3) . B3 B4 1.835(3) . B3 B9 1.822(3) . B3 B6 1.842(3) . C39 H39 0.9500 . B1 H1 1.1200 . B1 B2 1.686(3) . B1 B4 1.693(3) . B1 B5 1.711(3) . B8 H8A 1.1200 . B8 B4 1.826(3) . B8 B7 1.838(3) . B8 B5 1.815(3) . B8 B9 1.840(3) . B8 B10 1.704(3) . B2 B7 1.789(3) . B2 B5 1.800(3) . B2 B6 1.785(3) . B4 H4 1.1200 . B4 B5 1.839(3) . B4 B9 1.826(3) . B7 H7A 1.1200 . B7 B5 1.833(3) . B7 B6 1.840(3) . B7 B10 1.700(3) . B5 H5 1.1200 . B9 H9A 1.1200 . B9 B6 1.827(3) . B9 B10 1.705(3) . B6 H6 1.1200 . B6 B10 1.706(3) . B10 H10A 1.1200 . C78 H78A 0.9900 . C78 H78B 0.9900 .