#------------------------------------------------------------------------------ #$Date: 2024-07-05 17:59:21 +0300 (Fri, 05 Jul 2024) $ #$Revision: 292895 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/17/1571730.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_1571730 loop_ _publ_author_name 'Ye, Christopher Z.' 'Del Rosal, Iker' 'Kelly, Sheridon N.' 'Brackbill, I. Joseph' 'Maron, Laurent' 'Camp, Clément' 'Arnold, John' _publ_section_title ; Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes. ; _journal_issue 25 _journal_name_full 'Chemical science' _journal_page_first 9784 _journal_page_last 9792 _journal_paper_doi 10.1039/d4sc02380c _journal_volume 15 _journal_year 2024 _chemical_formula_sum 'C40 H60 Os4 Th' _chemical_formula_weight 1533.72 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary 'Dual space' _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2019/3 _audit_update_record ; 2024-04-08 deposited with the CCDC. 2024-05-20 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 91.796(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 23.163(2) _cell_length_b 12.6413(11) _cell_length_c 15.7810(13) _cell_measurement_reflns_used 9908 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 29.0921 _cell_measurement_theta_min 2.2853 _cell_volume 4618.6(7) _computing_cell_refinement 'Bruker SAINT v8.40a' _computing_data_collection 'Bruker APEX 3' _computing_data_reduction 'Bruker SAINT v8.40a' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL & local programs' _computing_structure_refinement 'SHELXL-2019/2 (Sheldrick, 2019)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 100(2) _diffrn_detector_area_resol_mean 7.39 _diffrn_measured_fraction_theta_full 0.993 _diffrn_measured_fraction_theta_max 0.977 _diffrn_measurement_device_type 'Bruker D8 with PHOTONII detector' _diffrn_measurement_method '\w/\q shutterless scans' _diffrn_radiation_type synchrotron _diffrn_radiation_wavelength 0.7288 _diffrn_reflns_av_unetI/netI 0.0610 _diffrn_reflns_Laue_measured_fraction_full 0.993 _diffrn_reflns_Laue_measured_fraction_max 0.977 _diffrn_reflns_limit_h_max 30 _diffrn_reflns_limit_h_min -30 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_number 11258 _diffrn_reflns_point_group_measured_fraction_full 0.993 _diffrn_reflns_point_group_measured_fraction_max 0.977 _diffrn_reflns_theta_full 25.930 _diffrn_reflns_theta_max 29.119 _diffrn_reflns_theta_min 1.882 _diffrn_source 'Advanced Light Source beamline 12.2.1' _exptl_absorpt_coefficient_mu 15.063 _exptl_absorpt_correction_T_max 0.864 _exptl_absorpt_correction_T_min 0.538 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'TWINABS 2012/1 Bruker AXS Madison WI USA' _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 2.206 _exptl_crystal_description block _exptl_crystal_F_000 2776 _exptl_crystal_size_max 0.050 _exptl_crystal_size_mid 0.050 _exptl_crystal_size_min 0.010 _refine_diff_density_max 2.774 _refine_diff_density_min -2.363 _refine_diff_density_rms 0.391 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.041 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 427 _refine_ls_number_reflns 11258 _refine_ls_number_restraints 206 _refine_ls_restrained_S_all 1.035 _refine_ls_R_factor_all 0.0521 _refine_ls_R_factor_gt 0.0387 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0351P)^2^+24.6766P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0801 _refine_ls_wR_factor_ref 0.0862 _reflns_Friedel_coverage 0.000 _reflns_number_gt 9690 _reflns_number_total 11258 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc02380c2.cif _cod_data_source_block twin5 _cod_depositor_comments 'Adding full bibliography for 1571730--1571734.cif.' _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 1571730 _shelx_shelxl_version_number 2019/3 _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 0.864 _shelx_estimated_absorpt_t_min 0.520 _shelx_res_file ; TITL twin4_1_a.res in P2(1)/c twin5.res created by SHELXL-2019/3 at 13:16:14 on 07-Aug-2023 REM Old TITL twin4_1 in P2(1)/c REM SHELXT solution in P2(1)/c: R1 0.174, Rweak 0.030, Alpha 0.063 REM 0.432 for 447 systematic absences, Orientation as input REM Formula found by SHELXT: C52 Ir4 Th CELL 0.7288 23.1631 12.6413 15.7810 90.000 91.796 90.000 ZERR 4.000 0.0020 0.0011 0.0013 0.000 0.003 0.000 LATT 1 SYMM -X, 1/2+Y, 1/2-Z SFAC C H Os TH DISP C 0.00337 0.00172 11.92 DISP H 0.00000 0.00000 0.67 DISP Os -1.28481 7.94663 33486.29 DISP Th -7.90043 9.31122 39457.97 UNIT 160 240 16 4 ACTA TEMP -173 SIZE 0.050 0.050 0.010 REM colorless block L.S. 100 BOND FMAP 2 PLAN 20 SIMU 0.01 C1 > C10 DELU 0.02 C1 > C10 SIMU 0.01 C31 > C40 DELU 0.02 C31 > C40 ISOR 0.01 C1 C6 C11 C31 C32 C33 WGHT 0.035100 24.676601 BASF 0.49917 FVAR 0.10089 TH1 4 0.749438 0.497120 0.184539 11.00000 0.00991 0.00832 = 0.00855 0.00014 0.00116 0.00030 OS1 3 0.822616 0.640216 0.078398 11.00000 0.01132 0.00972 = 0.01129 0.00122 0.00161 -0.00114 C1 1 0.893002 0.655542 -0.013359 11.00000 0.01708 0.01330 = 0.01312 0.00189 0.01098 -0.00311 C2 1 0.911006 0.701178 0.066909 11.00000 0.01351 0.01441 = 0.02180 0.00300 0.00099 -0.00183 C3 1 0.873842 0.788953 0.081610 11.00000 0.01478 0.00926 = 0.01678 0.00201 0.00535 -0.00369 C4 1 0.833685 0.797901 0.011183 11.00000 0.01828 0.00964 = 0.01747 0.00733 -0.00175 -0.00272 C5 1 0.845660 0.714818 -0.048707 11.00000 0.02094 0.01699 = 0.01116 0.00378 0.00240 -0.00812 C6 1 0.924512 0.566974 -0.058818 11.00000 0.01898 0.02472 = 0.03659 -0.01064 0.02159 -0.00491 AFIX 137 H6A 2 0.896705 0.526261 -0.093692 11.00000 -1.50000 H6B 2 0.943316 0.520206 -0.016821 11.00000 -1.50000 H6C 2 0.953728 0.597638 -0.095102 11.00000 -1.50000 AFIX 0 C7 1 0.963421 0.669084 0.118444 11.00000 0.01753 0.03450 = 0.04061 0.00134 -0.00601 -0.00447 AFIX 137 H7A 2 0.996780 0.710178 0.100545 11.00000 -1.50000 H7B 2 0.970867 0.593566 0.109975 11.00000 -1.50000 H7C 2 0.956950 0.682485 0.178570 11.00000 -1.50000 AFIX 0 C8 1 0.879672 0.866052 0.154411 11.00000 0.02895 0.02551 = 0.02474 0.00006 0.00278 -0.00371 AFIX 137 H8A 2 0.901292 0.928365 0.136461 11.00000 -1.50000 H8B 2 0.900321 0.832089 0.202250 11.00000 -1.50000 H8C 2 0.841189 0.887758 0.171789 11.00000 -1.50000 AFIX 0 C9 1 0.788574 0.883622 -0.001170 11.00000 0.03318 0.01847 = 0.01792 0.00284 0.00348 -0.00210 AFIX 137 H9A 2 0.781286 0.917127 0.053465 11.00000 -1.50000 H9B 2 0.752688 0.852376 -0.024225 11.00000 -1.50000 H9C 2 0.802543 0.936860 -0.040749 11.00000 -1.50000 AFIX 0 C10 1 0.816554 0.701969 -0.133001 11.00000 0.03391 0.03041 = 0.01015 0.00708 0.00629 -0.00851 AFIX 137 H10A 2 0.837839 0.741377 -0.175435 11.00000 -1.50000 H10B 2 0.777004 0.729201 -0.131083 11.00000 -1.50000 H10C 2 0.815562 0.626827 -0.148251 11.00000 -1.50000 AFIX 0 OS2 3 0.661044 0.623914 0.280102 11.00000 0.01339 0.01080 = 0.01171 -0.00129 0.00274 0.00221 C11 1 0.627091 0.734302 0.384142 11.00000 0.01592 0.01365 = 0.01568 -0.00735 0.00311 0.00776 C12 1 0.620558 0.784564 0.303793 11.00000 0.03223 0.00648 = 0.02673 -0.00642 0.00861 0.00548 C13 1 0.582616 0.720716 0.251278 11.00000 0.02724 0.03291 = 0.02086 0.00527 0.01065 0.01756 C14 1 0.568571 0.628848 0.298921 11.00000 0.01577 0.01642 = 0.04202 -0.00656 0.00011 0.00544 C15 1 0.596124 0.635144 0.381422 11.00000 0.01817 0.02663 = 0.01896 0.00627 0.00655 0.00802 C16 1 0.656819 0.780883 0.461611 11.00000 0.02003 0.04053 = 0.03198 -0.02627 -0.00125 0.00047 AFIX 137 H16A 2 0.694368 0.809724 0.446368 11.00000 -1.50000 H16B 2 0.662537 0.725693 0.504670 11.00000 -1.50000 H16C 2 0.632917 0.837579 0.484265 11.00000 -1.50000 AFIX 0 C17 1 0.644621 0.889934 0.280007 11.00000 0.05672 0.01588 = 0.05672 0.00459 0.03090 0.00325 AFIX 137 H17A 2 0.614726 0.944228 0.285058 11.00000 -1.50000 H17B 2 0.657332 0.887431 0.221392 11.00000 -1.50000 H17C 2 0.677566 0.907155 0.317994 11.00000 -1.50000 AFIX 0 C18 1 0.559120 0.750299 0.165159 11.00000 0.04029 0.05147 = 0.02175 0.00766 0.00319 0.02202 AFIX 137 H18A 2 0.555891 0.686810 0.129690 11.00000 -1.50000 H18B 2 0.585189 0.801029 0.139112 11.00000 -1.50000 H18C 2 0.520884 0.782441 0.170244 11.00000 -1.50000 AFIX 0 C19 1 0.524718 0.544520 0.271911 11.00000 0.02780 0.03094 = 0.05809 -0.01620 -0.00162 -0.00297 AFIX 137 H19A 2 0.485683 0.569561 0.283328 11.00000 -1.50000 H19B 2 0.532527 0.479349 0.303889 11.00000 -1.50000 H19C 2 0.527744 0.530427 0.211146 11.00000 -1.50000 AFIX 0 C20 1 0.585032 0.563180 0.454536 11.00000 0.05180 0.02627 = 0.02982 0.00511 0.02230 0.00481 AFIX 137 H20A 2 0.547230 0.579533 0.477481 11.00000 -1.50000 H20B 2 0.615152 0.573394 0.498780 11.00000 -1.50000 H20C 2 0.585455 0.489529 0.435184 11.00000 -1.50000 AFIX 0 OS3 3 0.676496 0.347280 0.077629 11.00000 0.01142 0.00977 = 0.01199 -0.00132 0.00097 -0.00106 C21 1 0.666976 0.193364 0.003258 11.00000 0.01518 0.00793 = 0.01731 -0.00421 -0.00300 -0.00379 C22 1 0.649997 0.280808 -0.052059 11.00000 0.01929 0.01131 = 0.01157 -0.00174 -0.00024 -0.00544 C23 1 0.603660 0.333015 -0.015786 11.00000 0.01673 0.02112 = 0.02311 -0.00480 -0.00990 -0.00572 C24 1 0.587742 0.280830 0.061969 11.00000 0.01113 0.01864 = 0.02788 -0.00963 0.00186 -0.00945 C25 1 0.629413 0.192953 0.073774 11.00000 0.01908 0.01593 = 0.01511 -0.00128 -0.00343 -0.00885 C26 1 0.712833 0.113137 -0.014590 11.00000 0.03060 0.01148 = 0.02843 -0.00367 0.00064 0.00652 AFIX 137 H26A 2 0.729562 0.086445 0.039065 11.00000 -1.50000 H26B 2 0.743165 0.146294 -0.047413 11.00000 -1.50000 H26C 2 0.695701 0.054315 -0.047071 11.00000 -1.50000 AFIX 0 C27 1 0.673856 0.303540 -0.136860 11.00000 0.03655 0.01421 = 0.01401 0.00027 -0.00636 -0.00316 AFIX 137 H27A 2 0.653577 0.260488 -0.180006 11.00000 -1.50000 H27B 2 0.715133 0.286404 -0.135974 11.00000 -1.50000 H27C 2 0.668533 0.378660 -0.150310 11.00000 -1.50000 AFIX 0 C28 1 0.567775 0.424980 -0.054317 11.00000 0.01941 0.03719 = 0.04430 -0.01188 -0.00721 0.00330 AFIX 137 H28A 2 0.592727 0.470293 -0.087793 11.00000 -1.50000 H28B 2 0.551220 0.466616 -0.008665 11.00000 -1.50000 H28C 2 0.536584 0.396445 -0.090967 11.00000 -1.50000 AFIX 0 C29 1 0.537496 0.302110 0.115083 11.00000 0.01673 0.04342 = 0.04199 -0.01124 0.00743 0.00719 AFIX 137 H29A 2 0.527487 0.377340 0.111587 11.00000 -1.50000 H29B 2 0.547214 0.283500 0.174104 11.00000 -1.50000 H29C 2 0.504518 0.259579 0.094725 11.00000 -1.50000 AFIX 0 C30 1 0.628199 0.112050 0.140997 11.00000 0.02855 0.02022 = 0.03052 -0.00812 0.00688 -0.01460 AFIX 137 H30A 2 0.600062 0.057127 0.124978 11.00000 -1.50000 H30B 2 0.617135 0.145064 0.194280 11.00000 -1.50000 H30C 2 0.666595 0.080185 0.148414 11.00000 -1.50000 AFIX 0 OS4 3 0.837852 0.378147 0.293158 11.00000 0.01321 0.01325 = 0.01122 0.00209 0.00054 0.00328 C31 1 0.868804 0.247765 0.387506 11.00000 0.02644 0.02425 = 0.01686 0.01555 0.00545 0.01107 C32 1 0.889748 0.230441 0.303168 11.00000 0.02057 0.01602 = 0.01835 0.00699 0.00018 0.01124 C33 1 0.925261 0.317265 0.281403 11.00000 0.01153 0.02429 = 0.02591 0.00822 -0.00084 0.01438 C34 1 0.926306 0.389256 0.352948 11.00000 0.01958 0.02680 = 0.03093 0.00100 -0.00646 0.00954 C35 1 0.890809 0.345421 0.415215 11.00000 0.02477 0.03462 = 0.02036 0.00007 -0.00145 0.02097 C36 1 0.833342 0.171752 0.436534 11.00000 0.03349 0.03493 = 0.04550 0.02400 0.02440 0.02050 AFIX 137 H36A 2 0.858951 0.124905 0.469911 11.00000 -1.50000 H36B 2 0.809290 0.129446 0.397180 11.00000 -1.50000 H36C 2 0.808549 0.211092 0.474639 11.00000 -1.50000 AFIX 0 C37 1 0.882199 0.130686 0.251540 11.00000 0.04824 0.01945 = 0.02791 -0.00161 0.00147 0.00887 AFIX 137 H37A 2 0.888378 0.146381 0.191690 11.00000 -1.50000 H37B 2 0.843002 0.103226 0.257846 11.00000 -1.50000 H37C 2 0.910313 0.077647 0.271545 11.00000 -1.50000 AFIX 0 C38 1 0.960246 0.327973 0.204655 11.00000 0.02069 0.04832 = 0.03946 0.01457 0.01637 0.01067 AFIX 137 H38A 2 0.999361 0.301339 0.216858 11.00000 -1.50000 H38B 2 0.962168 0.402643 0.188289 11.00000 -1.50000 H38C 2 0.942306 0.287005 0.158149 11.00000 -1.50000 AFIX 0 C39 1 0.962625 0.491193 0.363955 11.00000 0.04217 0.04061 = 0.05604 0.00374 -0.01567 0.00502 AFIX 137 H39A 2 0.941099 0.543119 0.396565 11.00000 -1.50000 H39B 2 0.970706 0.520560 0.308090 11.00000 -1.50000 H39C 2 0.999096 0.474530 0.394187 11.00000 -1.50000 AFIX 0 C40 1 0.886861 0.389610 0.503731 11.00000 0.04902 0.05029 = 0.02031 -0.00904 -0.00834 0.03665 AFIX 137 H40A 2 0.922273 0.372579 0.536525 11.00000 -1.50000 H40B 2 0.853601 0.358356 0.531334 11.00000 -1.50000 H40C 2 0.882146 0.466576 0.500786 11.00000 -1.50000 AFIX 0 HKLF 5 REM twin4_1_a.res in P2(1)/c REM wR2 = 0.0862, GooF = S = 1.041, Restrained GooF = 1.035 for all data REM R1 = 0.0387 for 9690 Fo > 4sig(Fo) and 0.0521 for all 11258 data REM 427 parameters refined using 206 restraints END WGHT 0.0351 24.6693 REM Highest difference peak 2.774, deepest hole -2.363, 1-sigma level 0.391 Q1 1 0.8167 0.6386 0.1638 11.00000 0.05 2.77 Q2 1 0.6801 0.3550 -0.0013 11.00000 0.05 2.62 Q3 1 0.6739 0.3597 0.1616 11.00000 0.05 2.18 Q4 1 0.8300 0.3851 0.3678 11.00000 0.05 2.11 Q5 1 0.8281 0.6386 0.0063 11.00000 0.05 2.09 Q6 1 0.6559 0.6328 0.3584 11.00000 0.05 2.08 Q7 1 0.6697 0.6263 0.2024 11.00000 0.05 2.05 Q8 1 0.8192 0.5961 -0.1182 11.00000 0.05 2.01 Q9 1 0.7808 0.5647 0.0579 11.00000 0.05 1.93 Q10 1 0.7397 0.4991 0.2611 11.00000 0.05 1.92 Q11 1 0.8477 0.3863 0.2225 11.00000 0.05 1.87 Q12 1 0.7538 0.5014 0.1002 11.00000 0.05 1.86 Q13 1 0.6627 0.3697 -0.0547 11.00000 0.05 1.73 Q14 1 0.8526 0.6142 0.1492 11.00000 0.05 1.68 Q15 1 0.7021 0.6789 0.2453 11.00000 0.05 1.56 Q16 1 0.6469 0.3792 -0.0017 11.00000 0.05 1.55 Q17 1 0.8711 0.3451 0.3730 11.00000 0.05 1.54 Q18 1 0.5694 0.5590 -0.0296 11.00000 0.05 1.54 Q19 1 0.6950 0.4993 0.1817 11.00000 0.05 1.53 Q20 1 0.8354 0.4529 0.2634 11.00000 0.05 1.53 ; _shelx_res_checksum 60161 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 Th1 Th 0.74944(2) 0.49712(3) 0.18454(3) 0.00891(7) Uani 1 1 d . . . . . Os1 Os 0.82262(2) 0.64022(3) 0.07840(3) 0.01075(9) Uani 1 1 d . . . . . C1 C 0.8930(5) 0.6555(8) -0.0134(6) 0.0143(18) Uani 1 1 d . U . . . C2 C 0.9110(5) 0.7012(8) 0.0669(6) 0.0166(19) Uani 1 1 d . U . . . C3 C 0.8738(4) 0.7890(8) 0.0816(7) 0.0135(17) Uani 1 1 d . U . . . C4 C 0.8337(5) 0.7979(8) 0.0112(6) 0.0152(19) Uani 1 1 d . U . . . C5 C 0.8457(5) 0.7148(8) -0.0487(7) 0.0163(18) Uani 1 1 d . U . . . C6 C 0.9245(5) 0.5670(9) -0.0588(8) 0.026(3) Uani 1 1 d . U . . . H6A H 0.896705 0.526261 -0.093692 0.039 Uiso 1 1 calc R U . . . H6B H 0.943316 0.520206 -0.016821 0.039 Uiso 1 1 calc R U . . . H6C H 0.953728 0.597638 -0.095102 0.039 Uiso 1 1 calc R U . . . C7 C 0.9634(5) 0.6691(10) 0.1184(8) 0.031(3) Uani 1 1 d . U . . . H7A H 0.996780 0.710178 0.100545 0.047 Uiso 1 1 calc R U . . . H7B H 0.970867 0.593566 0.109975 0.047 Uiso 1 1 calc R U . . . H7C H 0.956950 0.682485 0.178570 0.047 Uiso 1 1 calc R U . . . C8 C 0.8797(5) 0.8661(9) 0.1544(8) 0.026(3) Uani 1 1 d . U . . . H8A H 0.901292 0.928365 0.136461 0.040 Uiso 1 1 calc R U . . . H8B H 0.900321 0.832089 0.202250 0.040 Uiso 1 1 calc R U . . . H8C H 0.841189 0.887758 0.171789 0.040 Uiso 1 1 calc R U . . . C9 C 0.7886(5) 0.8836(9) -0.0012(7) 0.023(2) Uani 1 1 d . U . . . H9A H 0.781286 0.917127 0.053465 0.035 Uiso 1 1 calc R U . . . H9B H 0.752688 0.852376 -0.024225 0.035 Uiso 1 1 calc R U . . . H9C H 0.802543 0.936860 -0.040749 0.035 Uiso 1 1 calc R U . . . C10 C 0.8166(5) 0.7020(10) -0.1330(6) 0.025(3) Uani 1 1 d . U . . . H10A H 0.837839 0.741377 -0.175435 0.037 Uiso 1 1 calc R U . . . H10B H 0.777004 0.729201 -0.131083 0.037 Uiso 1 1 calc R U . . . H10C H 0.815562 0.626827 -0.148251 0.037 Uiso 1 1 calc R U . . . Os2 Os 0.66104(2) 0.62391(3) 0.28010(3) 0.01192(9) Uani 1 1 d . . . . . C11 C 0.6271(4) 0.7343(8) 0.3841(6) 0.015(2) Uani 1 1 d . U . . . C12 C 0.6206(5) 0.7846(8) 0.3038(7) 0.022(3) Uani 1 1 d . . . . . C13 C 0.5826(5) 0.7207(10) 0.2513(7) 0.027(3) Uani 1 1 d . . . . . C14 C 0.5686(5) 0.6288(9) 0.2989(8) 0.025(3) Uani 1 1 d . . . . . C15 C 0.5961(5) 0.6351(9) 0.3814(7) 0.021(2) Uani 1 1 d . . . . . C16 C 0.6568(5) 0.7809(10) 0.4616(7) 0.031(3) Uani 1 1 d . . . . . H16A H 0.694368 0.809724 0.446368 0.046 Uiso 1 1 calc R U . . . H16B H 0.662537 0.725693 0.504670 0.046 Uiso 1 1 calc R U . . . H16C H 0.632917 0.837579 0.484265 0.046 Uiso 1 1 calc R U . . . C17 C 0.6446(6) 0.8899(9) 0.2800(10) 0.042(4) Uani 1 1 d . . . . . H17A H 0.614726 0.944228 0.285058 0.064 Uiso 1 1 calc R U . . . H17B H 0.657332 0.887431 0.221392 0.064 Uiso 1 1 calc R U . . . H17C H 0.677566 0.907155 0.317994 0.064 Uiso 1 1 calc R U . . . C18 C 0.5591(6) 0.7503(12) 0.1652(7) 0.038(3) Uani 1 1 d . . . . . H18A H 0.555891 0.686810 0.129690 0.057 Uiso 1 1 calc R U . . . H18B H 0.585189 0.801029 0.139112 0.057 Uiso 1 1 calc R U . . . H18C H 0.520884 0.782441 0.170244 0.057 Uiso 1 1 calc R U . . . C19 C 0.5247(5) 0.5445(10) 0.2719(10) 0.039(3) Uani 1 1 d . . . . . H19A H 0.485683 0.569561 0.283328 0.059 Uiso 1 1 calc R U . . . H19B H 0.532527 0.479349 0.303889 0.059 Uiso 1 1 calc R U . . . H19C H 0.527744 0.530427 0.211146 0.059 Uiso 1 1 calc R U . . . C20 C 0.5850(6) 0.5632(10) 0.4545(8) 0.036(3) Uani 1 1 d . . . . . H20A H 0.547230 0.579533 0.477481 0.053 Uiso 1 1 calc R U . . . H20B H 0.615152 0.573394 0.498780 0.053 Uiso 1 1 calc R U . . . H20C H 0.585455 0.489529 0.435184 0.053 Uiso 1 1 calc R U . . . Os3 Os 0.67650(2) 0.34728(3) 0.07763(3) 0.01105(8) Uani 1 1 d . . . . . C21 C 0.6670(4) 0.1934(8) 0.0033(6) 0.014(2) Uani 1 1 d . . . . . C22 C 0.6500(4) 0.2808(8) -0.0521(6) 0.014(2) Uani 1 1 d . . . . . C23 C 0.6037(5) 0.3330(9) -0.0158(7) 0.021(2) Uani 1 1 d . . . . . C24 C 0.5877(4) 0.2808(8) 0.0620(7) 0.019(2) Uani 1 1 d . . . . . C25 C 0.6294(4) 0.1930(8) 0.0738(7) 0.017(2) Uani 1 1 d . . . . . C26 C 0.7128(5) 0.1131(9) -0.0146(7) 0.024(3) Uani 1 1 d . . . . . H26A H 0.729562 0.086445 0.039065 0.035 Uiso 1 1 calc R U . . . H26B H 0.743165 0.146294 -0.047413 0.035 Uiso 1 1 calc R U . . . H26C H 0.695701 0.054315 -0.047071 0.035 Uiso 1 1 calc R U . . . C27 C 0.6739(5) 0.3035(9) -0.1369(6) 0.022(2) Uani 1 1 d . . . . . H27A H 0.653577 0.260488 -0.180006 0.033 Uiso 1 1 calc R U . . . H27B H 0.715133 0.286404 -0.135974 0.033 Uiso 1 1 calc R U . . . H27C H 0.668533 0.378660 -0.150310 0.033 Uiso 1 1 calc R U . . . C28 C 0.5678(5) 0.4250(10) -0.0543(9) 0.034(3) Uani 1 1 d . . . . . H28A H 0.592727 0.470293 -0.087793 0.051 Uiso 1 1 calc R U . . . H28B H 0.551220 0.466616 -0.008665 0.051 Uiso 1 1 calc R U . . . H28C H 0.536584 0.396445 -0.090967 0.051 Uiso 1 1 calc R U . . . C29 C 0.5375(5) 0.3021(11) 0.1151(9) 0.034(3) Uani 1 1 d . . . . . H29A H 0.527487 0.377340 0.111587 0.051 Uiso 1 1 calc R U . . . H29B H 0.547214 0.283500 0.174104 0.051 Uiso 1 1 calc R U . . . H29C H 0.504518 0.259579 0.094725 0.051 Uiso 1 1 calc R U . . . C30 C 0.6282(5) 0.1120(9) 0.1410(8) 0.026(3) Uani 1 1 d . . . . . H30A H 0.600062 0.057127 0.124978 0.039 Uiso 1 1 calc R U . . . H30B H 0.617135 0.145064 0.194280 0.039 Uiso 1 1 calc R U . . . H30C H 0.666595 0.080185 0.148414 0.039 Uiso 1 1 calc R U . . . Os4 Os 0.83785(2) 0.37815(3) 0.29316(3) 0.01256(9) Uani 1 1 d . . . . . C31 C 0.8688(5) 0.2478(9) 0.3875(7) 0.022(2) Uani 1 1 d . U . . . C32 C 0.8897(5) 0.2304(8) 0.3032(7) 0.0183(19) Uani 1 1 d . U . . . C33 C 0.9253(4) 0.3173(9) 0.2814(7) 0.021(2) Uani 1 1 d . U . . . C34 C 0.9263(5) 0.3893(9) 0.3529(8) 0.026(2) Uani 1 1 d . U . . . C35 C 0.8908(5) 0.3454(10) 0.4152(8) 0.027(2) Uani 1 1 d . U . . . C36 C 0.8333(5) 0.1718(10) 0.4365(9) 0.037(3) Uani 1 1 d . U . . . H36A H 0.858951 0.124905 0.469911 0.056 Uiso 1 1 calc R U . . . H36B H 0.809290 0.129446 0.397180 0.056 Uiso 1 1 calc R U . . . H36C H 0.808549 0.211092 0.474639 0.056 Uiso 1 1 calc R U . . . C37 C 0.8822(6) 0.1307(9) 0.2515(8) 0.032(3) Uani 1 1 d . U . . . H37A H 0.888378 0.146381 0.191690 0.048 Uiso 1 1 calc R U . . . H37B H 0.843002 0.103226 0.257846 0.048 Uiso 1 1 calc R U . . . H37C H 0.910313 0.077647 0.271545 0.048 Uiso 1 1 calc R U . . . C38 C 0.9602(5) 0.3280(11) 0.2047(8) 0.036(3) Uani 1 1 d . U . . . H38A H 0.999361 0.301339 0.216858 0.054 Uiso 1 1 calc R U . . . H38B H 0.962168 0.402643 0.188289 0.054 Uiso 1 1 calc R U . . . H38C H 0.942306 0.287005 0.158149 0.054 Uiso 1 1 calc R U . . . C39 C 0.9626(6) 0.4912(11) 0.3640(10) 0.047(3) Uani 1 1 d . U . . . H39A H 0.941099 0.543119 0.396565 0.070 Uiso 1 1 calc R U . . . H39B H 0.970706 0.520560 0.308090 0.070 Uiso 1 1 calc R U . . . H39C H 0.999096 0.474530 0.394187 0.070 Uiso 1 1 calc R U . . . C40 C 0.8869(6) 0.3896(11) 0.5037(7) 0.040(3) Uani 1 1 d . U . . . H40A H 0.922273 0.372579 0.536525 0.060 Uiso 1 1 calc R U . . . H40B H 0.853601 0.358356 0.531334 0.060 Uiso 1 1 calc R U . . . H40C H 0.882146 0.466576 0.500786 0.060 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 Th1 0.00991(13) 0.00832(15) 0.00855(14) 0.00014(14) 0.00116(13) 0.00030(11) Os1 0.01132(18) 0.00972(17) 0.01129(19) 0.00122(16) 0.00161(14) -0.00114(14) C1 0.017(4) 0.013(4) 0.013(4) 0.002(3) 0.011(3) -0.003(3) C2 0.014(4) 0.014(4) 0.022(4) 0.003(4) 0.001(3) -0.002(3) C3 0.015(4) 0.009(4) 0.017(4) 0.002(4) 0.005(3) -0.004(3) C4 0.018(4) 0.010(4) 0.017(4) 0.007(3) -0.002(3) -0.003(4) C5 0.021(4) 0.017(4) 0.011(4) 0.004(4) 0.002(4) -0.008(3) C6 0.019(5) 0.025(6) 0.037(6) -0.011(5) 0.022(5) -0.005(4) C7 0.018(6) 0.034(7) 0.041(7) 0.001(6) -0.006(5) -0.004(5) C8 0.029(6) 0.026(6) 0.025(6) 0.000(5) 0.003(5) -0.004(5) C9 0.033(6) 0.018(6) 0.018(6) 0.003(4) 0.003(5) -0.002(5) C10 0.034(6) 0.030(6) 0.010(5) 0.007(5) 0.006(4) -0.009(5) Os2 0.01339(19) 0.01080(18) 0.0117(2) -0.00129(15) 0.00274(15) 0.00221(15) C11 0.016(4) 0.014(5) 0.016(5) -0.007(4) 0.003(4) 0.008(4) C12 0.032(7) 0.006(5) 0.027(6) -0.006(4) 0.009(5) 0.005(4) C13 0.027(6) 0.033(7) 0.021(6) 0.005(5) 0.011(5) 0.018(5) C14 0.016(5) 0.016(5) 0.042(8) -0.007(5) 0.000(5) 0.005(4) C15 0.018(5) 0.027(6) 0.019(6) 0.006(5) 0.007(4) 0.008(5) C16 0.020(6) 0.041(8) 0.032(7) -0.026(6) -0.001(5) 0.000(5) C17 0.057(9) 0.016(6) 0.057(9) 0.005(6) 0.031(8) 0.003(6) C18 0.040(8) 0.051(8) 0.022(7) 0.008(7) 0.003(5) 0.022(7) C19 0.028(7) 0.031(7) 0.058(9) -0.016(7) -0.002(7) -0.003(5) C20 0.052(9) 0.026(7) 0.030(8) 0.005(6) 0.022(6) 0.005(6) Os3 0.01142(18) 0.00977(17) 0.01199(19) -0.00132(16) 0.00097(15) -0.00106(14) C21 0.015(5) 0.008(5) 0.017(5) -0.004(4) -0.003(4) -0.004(4) C22 0.019(5) 0.011(5) 0.012(5) -0.002(4) 0.000(4) -0.005(4) C23 0.017(5) 0.021(6) 0.023(6) -0.005(5) -0.010(4) -0.006(5) C24 0.011(5) 0.019(5) 0.028(6) -0.010(5) 0.002(4) -0.009(4) C25 0.019(5) 0.016(5) 0.015(5) -0.001(5) -0.003(4) -0.009(4) C26 0.031(7) 0.011(5) 0.028(6) -0.004(5) 0.001(5) 0.007(5) C27 0.037(7) 0.014(5) 0.014(5) 0.000(4) -0.006(5) -0.003(5) C28 0.019(6) 0.037(7) 0.044(8) -0.012(7) -0.007(5) 0.003(5) C29 0.017(6) 0.043(8) 0.042(8) -0.011(7) 0.007(5) 0.007(5) C30 0.029(6) 0.020(6) 0.031(7) -0.008(5) 0.007(5) -0.015(5) Os4 0.01321(19) 0.01325(18) 0.01122(19) 0.00209(16) 0.00054(15) 0.00328(15) C31 0.026(4) 0.024(4) 0.017(4) 0.016(3) 0.005(3) 0.011(4) C32 0.021(4) 0.016(4) 0.018(4) 0.007(3) 0.000(3) 0.011(3) C33 0.012(4) 0.024(4) 0.026(4) 0.008(4) -0.001(3) 0.014(3) C34 0.020(5) 0.027(5) 0.031(5) 0.001(4) -0.006(4) 0.010(4) C35 0.025(5) 0.035(5) 0.020(4) 0.000(4) -0.001(4) 0.021(4) C36 0.033(7) 0.035(6) 0.045(7) 0.024(6) 0.024(6) 0.021(5) C37 0.048(8) 0.019(6) 0.028(6) -0.002(5) 0.001(6) 0.009(5) C38 0.021(6) 0.048(8) 0.039(7) 0.015(6) 0.016(5) 0.011(6) C39 0.042(8) 0.041(7) 0.056(9) 0.004(7) -0.016(7) 0.005(6) C40 0.049(8) 0.050(8) 0.020(6) -0.009(6) -0.008(5) 0.037(7) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0034 0.0017 'XDISP Program in WinGX S.Brennan & P.L.Cowan Rev.Sci.Instrum.63,850 1992' H H 0.0000 0.0000 'XDISP Program in WinGX S.Brennan & P.L.Cowan Rev.Sci.Instrum.63,850 1992' Os Os -1.2848 7.9466 'XDISP Program in WinGX S.Brennan & P.L.Cowan Rev.Sci.Instrum.63,850 1992' Th Th -7.9004 9.3112 'XDISP Program in WinGX S.Brennan & P.L.Cowan Rev.Sci.Instrum.63,850 1992' 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 Os1 Th1 Os2 110.969(16) . . ? Os1 Th1 Os4 103.291(17) . . ? Os3 Th1 Os1 112.319(16) . . ? Os3 Th1 Os2 103.557(17) . . ? Os3 Th1 Os4 111.188(17) . . ? Os4 Th1 Os2 115.805(16) . . ? C1 Os1 Th1 148.1(3) . . ? C1 Os1 C3 62.6(4) . . ? C1 Os1 C4 61.6(4) . . ? C1 Os1 C5 36.8(4) . . ? C2 Os1 Th1 142.7(3) . . ? C2 Os1 C1 38.0(4) . . ? C2 Os1 C3 37.7(4) . . ? C2 Os1 C4 62.4(4) . . ? C2 Os1 C5 62.7(4) . . ? C3 Os1 Th1 143.3(3) . . ? C3 Os1 C4 37.1(4) . . ? C3 Os1 C5 62.2(4) . . ? C4 Os1 Th1 148.9(3) . . ? C4 Os1 C5 36.9(4) . . ? C5 Os1 Th1 151.7(3) . . ? C2 C1 Os1 70.1(6) . . ? C2 C1 C6 125.2(10) . . ? C5 C1 Os1 74.3(6) . . ? C5 C1 C2 109.3(9) . . ? C5 C1 C6 125.0(10) . . ? C6 C1 Os1 127.8(7) . . ? C1 C2 Os1 71.8(6) . . ? C1 C2 C7 125.2(10) . . ? C3 C2 Os1 72.0(6) . . ? C3 C2 C1 107.1(9) . . ? C3 C2 C7 127.3(10) . . ? C7 C2 Os1 127.0(8) . . ? C2 C3 Os1 70.3(6) . . ? C2 C3 C4 108.4(9) . . ? C2 C3 C8 125.8(10) . . ? C4 C3 Os1 73.5(6) . . ? C4 C3 C8 125.5(9) . . ? C8 C3 Os1 126.8(7) . . ? C3 C4 Os1 69.4(5) . . ? C3 C4 C5 108.5(9) . . ? C3 C4 C9 125.9(10) . . ? C5 C4 Os1 72.3(6) . . ? C5 C4 C9 125.6(9) . . ? C9 C4 Os1 126.8(7) . . ? C1 C5 Os1 68.9(5) . . ? C1 C5 C4 106.7(9) . . ? C1 C5 C10 128.0(10) . . ? C4 C5 Os1 70.9(6) . . ? C4 C5 C10 125.1(10) . . ? C10 C5 Os1 128.9(7) . . ? C11 Os2 Th1 157.0(3) . . ? C12 Os2 Th1 147.3(3) . . ? C12 Os2 C11 36.1(4) . . ? C13 Os2 Th1 138.3(3) . . ? C13 Os2 C11 61.3(4) . . ? C13 Os2 C12 37.2(4) . . ? C13 Os2 C15 63.1(4) . . ? C14 Os2 Th1 140.0(3) . . ? C14 Os2 C11 61.8(4) . . ? C14 Os2 C12 62.5(4) . . ? C14 Os2 C13 37.8(4) . . ? C14 Os2 C15 38.0(4) . . ? C15 Os2 Th1 150.3(3) . . ? C15 Os2 C11 37.0(4) . . ? C15 Os2 C12 62.3(4) . . ? C12 C11 Os2 70.5(5) . . ? C12 C11 C15 108.8(9) . . ? C12 C11 C16 125.7(10) . . ? C15 C11 Os2 68.6(6) . . ? C15 C11 C16 125.3(10) . . ? C16 C11 Os2 131.0(7) . . ? C11 C12 Os2 73.4(5) . . ? C11 C12 C13 108.0(9) . . ? C11 C12 C17 126.3(11) . . ? C13 C12 Os2 69.6(6) . . ? C13 C12 C17 125.5(11) . . ? C17 C12 Os2 126.5(8) . . ? C12 C13 Os2 73.2(6) . . ? C12 C13 C18 125.6(12) . . ? C14 C13 Os2 69.1(6) . . ? C14 C13 C12 107.4(10) . . ? C14 C13 C18 126.9(13) . . ? C18 C13 Os2 126.5(8) . . ? C13 C14 Os2 73.1(7) . . ? C13 C14 C15 109.3(10) . . ? C13 C14 C19 125.7(12) . . ? C15 C14 Os2 73.3(6) . . ? C15 C14 C19 124.5(11) . . ? C19 C14 Os2 126.4(8) . . ? C11 C15 Os2 74.4(6) . . ? C11 C15 C20 127.0(11) . . ? C14 C15 Os2 68.7(6) . . ? C14 C15 C11 106.4(9) . . ? C14 C15 C20 125.7(11) . . ? C20 C15 Os2 130.4(8) . . ? C21 Os3 Th1 150.1(3) . . ? C22 Os3 Th1 149.7(2) . . ? C22 Os3 C21 37.2(3) . . ? C23 Os3 Th1 145.6(3) . . ? C23 Os3 C21 61.8(4) . . ? C23 Os3 C22 36.2(4) . . ? C23 Os3 C24 38.1(4) . . ? C23 Os3 C25 63.2(4) . . ? C24 Os3 Th1 142.9(3) . . ? C24 Os3 C21 63.1(4) . . ? C24 Os3 C22 62.6(4) . . ? C24 Os3 C25 38.7(4) . . ? C25 Os3 Th1 145.8(3) . . ? C25 Os3 C21 37.0(4) . . ? C25 Os3 C22 62.4(4) . . ? C22 C21 Os3 71.4(5) . . ? C22 C21 C26 125.5(10) . . ? C25 C21 Os3 69.8(5) . . ? C25 C21 C22 108.0(9) . . ? C25 C21 C26 126.4(10) . . ? C26 C21 Os3 128.0(7) . . ? C21 C22 Os3 71.4(5) . . ? C21 C22 C27 125.7(10) . . ? C23 C22 Os3 69.3(6) . . ? C23 C22 C21 108.0(9) . . ? C23 C22 C27 126.0(10) . . ? C27 C22 Os3 129.6(7) . . ? C22 C23 Os3 74.5(6) . . ? C22 C23 C24 110.5(10) . . ? C22 C23 C28 127.3(11) . . ? C24 C23 Os3 71.5(6) . . ? C24 C23 C28 121.9(11) . . ? C28 C23 Os3 126.2(8) . . ? C23 C24 Os3 70.4(6) . . ? C23 C24 C25 105.4(9) . . ? C23 C24 C29 128.4(11) . . ? C25 C24 Os3 70.9(5) . . ? C25 C24 C29 125.9(10) . . ? C29 C24 Os3 127.4(8) . . ? C21 C25 Os3 73.2(6) . . ? C21 C25 C24 108.0(9) . . ? C21 C25 C30 125.9(10) . . ? C24 C25 Os3 70.4(5) . . ? C30 C25 Os3 127.3(7) . . ? C30 C25 C24 125.8(10) . . ? C31 Os4 Th1 155.0(3) . . ? C32 Os4 Th1 144.3(3) . . ? C32 Os4 C31 37.1(4) . . ? C32 Os4 C34 62.4(4) . . ? C32 Os4 C35 60.9(4) . . ? C33 Os4 Th1 137.8(3) . . ? C33 Os4 C31 62.3(4) . . ? C33 Os4 C32 37.6(4) . . ? C33 Os4 C34 38.3(4) . . ? C33 Os4 C35 62.2(4) . . ? C34 Os4 Th1 143.4(3) . . ? C34 Os4 C31 60.8(4) . . ? C34 Os4 C35 36.4(4) . . ? C35 Os4 Th1 154.3(3) . . ? C35 Os4 C31 35.4(4) . . ? C32 C31 Os4 67.9(5) . . ? C32 C31 C36 125.7(11) . . ? C35 C31 Os4 71.1(6) . . ? C35 C31 C32 106.9(10) . . ? C35 C31 C36 127.3(11) . . ? C36 C31 Os4 128.7(8) . . ? C31 C32 Os4 75.1(6) . . ? C31 C32 C37 125.9(10) . . ? C33 C32 Os4 69.5(6) . . ? C33 C32 C31 108.6(10) . . ? C33 C32 C37 125.0(10) . . ? C37 C32 Os4 127.6(8) . . ? C32 C33 Os4 72.9(6) . . ? C32 C33 C34 107.0(10) . . ? C32 C33 C38 127.1(11) . . ? C34 C33 Os4 72.8(6) . . ? C34 C33 C38 125.6(11) . . ? C38 C33 Os4 124.7(8) . . ? C33 C34 Os4 68.8(6) . . ? C33 C34 C39 127.3(12) . . ? C35 C34 Os4 73.9(7) . . ? C35 C34 C33 107.4(10) . . ? C35 C34 C39 125.1(12) . . ? C39 C34 Os4 126.1(8) . . ? C31 C35 Os4 73.5(6) . . ? C31 C35 C34 110.0(10) . . ? C31 C35 C40 125.7(12) . . ? C34 C35 Os4 69.7(6) . . ? C34 C35 C40 123.5(12) . . ? C40 C35 Os4 131.7(7) . . ? 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 Th1 Os1 3.0214(5) . ? Th1 Os2 3.0379(6) . ? Th1 Os3 3.0183(6) . ? Th1 Os4 3.0289(6) . ? Os1 C1 2.223(10) . ? Os1 C2 2.200(10) . ? Os1 C3 2.223(9) . ? Os1 C4 2.276(10) . ? Os1 C5 2.295(10) . ? C1 C2 1.442(14) . ? C1 C5 1.427(15) . ? C1 C6 1.528(14) . ? C2 C3 1.428(14) . ? C2 C7 1.496(15) . ? C3 C4 1.431(14) . ? C3 C8 1.509(15) . ? C4 C5 1.446(14) . ? C4 C9 1.514(15) . ? C5 C10 1.481(14) . ? Os2 C11 2.311(9) . ? Os2 C12 2.273(10) . ? Os2 C13 2.225(11) . ? Os2 C14 2.173(11) . ? Os2 C15 2.234(11) . ? C11 C12 1.422(15) . ? C11 C15 1.444(15) . ? C11 C16 1.504(14) . ? C12 C13 1.437(17) . ? C12 C17 1.496(15) . ? C13 C14 1.427(16) . ? C13 C18 1.496(16) . ? C14 C15 1.434(17) . ? C14 C19 1.524(16) . ? C15 C20 1.498(15) . ? Os3 C21 2.279(10) . ? Os3 C22 2.279(10) . ? Os3 C23 2.213(10) . ? Os3 C24 2.227(10) . ? Os3 C25 2.235(10) . ? C21 C22 1.455(14) . ? C21 C25 1.434(14) . ? C21 C26 1.502(15) . ? C22 C23 1.398(15) . ? C22 C27 1.492(14) . ? C23 C24 1.451(16) . ? C23 C28 1.543(16) . ? C24 C25 1.480(15) . ? C24 C29 1.480(15) . ? C25 C30 1.474(15) . ? Os4 C31 2.320(10) . ? Os4 C32 2.224(10) . ? Os4 C33 2.179(10) . ? Os4 C34 2.233(11) . ? Os4 C35 2.289(11) . ? C31 C32 1.447(15) . ? C31 C35 1.400(17) . ? C31 C36 1.496(16) . ? C32 C33 1.420(16) . ? C32 C37 1.509(15) . ? C33 C34 1.450(16) . ? C33 C38 1.484(15) . ? C34 C35 1.414(17) . ? C34 C39 1.546(17) . ? C35 C40 1.510(16) . ?