#------------------------------------------------------------------------------ #$Date: 2020-04-05 13:25:46 +0300 (Sun, 05 Apr 2020) $ #$Revision: 250214 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/72/1557239.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_1557239 loop_ _publ_author_name 'Navarro, Miquel' 'Toledo, Alberto' 'Mallet-Ladeira, Sonia' 'Sosa Carrizo, E. Daiann' 'Miqueu, Karinne' 'Bourissou, Didier' _publ_section_title ; Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) \p complexes ; _journal_issue 10 _journal_name_full 'Chemical Science' _journal_page_first 2750 _journal_paper_doi 10.1039/C9SC06398F _journal_volume 11 _journal_year 2020 _chemical_formula_moiety 'C38 H47 Au N2 O2 P, F6 Sb' _chemical_formula_sum 'C38 H47 Au F6 N2 O2 P Sb' _chemical_formula_weight 1027.48 _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _symmetry_cell_setting monoclinic _symmetry_Int_Tables_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _atom_sites_solution_hydrogens mixed _audit_update_record ; 2019-11-25 deposited with the CCDC. 2020-01-31 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 98.974(5) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.7728(7) _cell_length_b 11.1430(9) _cell_length_c 30.591(2) _cell_measurement_reflns_used 7740 _cell_measurement_temperature 193(2) _cell_measurement_theta_max 26.41 _cell_measurement_theta_min 2.70 _cell_volume 3627.2(4) _computing_cell_refinement SAINT _computing_data_collection APEX2 _computing_data_reduction SAINT _computing_molecular_graphics 'Ortep-3 for Windows (Farrugia, 1997)' _computing_publication_material 'WinGX publication routines (Farrugia, 1999)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2008)' _computing_structure_solution 'SHELXT (Sheldrick 2015)' _diffrn_ambient_temperature 193(2) _diffrn_measured_fraction_theta_full 0.995 _diffrn_measured_fraction_theta_max 0.995 _diffrn_measurement_device_type 'Bruker Kappa APEX II Quazar' _diffrn_measurement_method 'phi and omega scans' _diffrn_radiation_monochromator 'multilayer optics' _diffrn_radiation_source 'microfocus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0554 _diffrn_reflns_av_unetI/netI 0.0377 _diffrn_reflns_Laue_measured_fraction_full 0.995 _diffrn_reflns_Laue_measured_fraction_max 0.995 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 36 _diffrn_reflns_limit_l_min -36 _diffrn_reflns_number 37150 _diffrn_reflns_point_group_measured_fraction_full 0.995 _diffrn_reflns_point_group_measured_fraction_max 0.995 _diffrn_reflns_theta_full 25.07 _diffrn_reflns_theta_max 25.07 _diffrn_reflns_theta_min 1.914 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 4.897 _exptl_absorpt_correction_T_max 0.7469 _exptl_absorpt_correction_T_min 0.5799 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Bruker-AXS)' _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.881 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 2016 _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.04 _refine_diff_density_max 3.717 _refine_diff_density_min -1.47 _refine_diff_density_rms 0.15 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.079 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 535 _refine_ls_number_reflns 6414 _refine_ls_number_restraints 279 _refine_ls_restrained_S_all 1.132 _refine_ls_R_factor_all 0.0529 _refine_ls_R_factor_gt 0.0429 _refine_ls_shift/su_max 0.004 _refine_ls_shift/su_mean 0 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0474P)^2^+21.4974P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1024 _refine_ls_wR_factor_ref 0.1076 _reflns_Friedel_coverage 0 _reflns_number_gt 5481 _reflns_number_total 6414 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c9sc06398f2.cif _cod_data_source_block ATP064 _cod_depositor_comments 'Adding full bibliography for 1557234--1557239.cif.' _cod_original_cell_volume 3627.3(5) _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 1557239 _shelx_res_file ; shelx.res created by SHELXL-2014/7 TITL ATO0641_a.res in P2(1)/c CELL 0.71073 10.7728 11.1430 30.5912 90.000 98.974 90.000 ZERR 4.00 0.0007 0.0009 0.0022 0.000 0.005 0.000 LATT 1 SYMM - X, 1/2 + Y, 1/2 - Z SFAC C H N O F P SB AU UNIT 152 188 8 8 24 4 4 4 MERG 2 OMIT 1 1 0 OMIT 0 0 4 OMIT -1 0 2 OMIT 0 0 2 OMIT 0 1 2 OMIT 1 0 2 OMIT 0 1 1 OMIT 0 1 3 OMIT -1 1 1 DELU SB1 > F6' SIMU 0.01 SB1 > F6' FMAP 2 PLAN 20 SIZE 0.040 0.100 0.200 ACTA BOND $H L.S. 4 TEMP -80.14 WGHT 0.047400 21.497400 FVAR 0.05189 0.57626 0.04960 C1 1 0.525058 0.084889 0.373436 11.00000 0.03125 0.02759 = 0.01914 -0.00114 0.00691 0.00546 C2 1 0.421647 0.012947 0.360352 11.00000 0.02997 0.03692 = 0.03025 -0.00430 0.00943 0.00307 AFIX 43 H2 2 0.341152 0.049373 0.353845 11.00000 -1.20000 AFIX 0 C3 1 0.430882 -0.109719 0.356384 11.00000 0.04090 0.03704 = 0.02718 -0.00582 0.00809 -0.00193 AFIX 43 H3 2 0.357705 -0.156846 0.347695 11.00000 -1.20000 AFIX 0 C4 1 0.546723 -0.163113 0.365098 11.00000 0.06131 0.02673 = 0.02511 -0.00025 0.00949 0.00798 AFIX 43 H4 2 0.554004 -0.247767 0.362824 11.00000 -1.20000 AFIX 0 C5 1 0.654352 -0.092913 0.377351 11.00000 0.04055 0.03360 = 0.02110 0.00267 0.00549 0.01745 AFIX 43 H5 2 0.734759 -0.129867 0.382738 11.00000 -1.20000 AFIX 0 C6 1 0.643829 0.030616 0.381648 11.00000 0.03556 0.03592 = 0.01372 0.00112 0.00392 0.00994 C7 1 0.835739 0.063421 0.435711 11.00000 0.03170 0.04311 = 0.05393 0.01262 -0.01505 0.00382 AFIX 137 H7A 2 0.859945 -0.021012 0.433961 11.00000 -1.50000 H7B 2 0.784057 0.073222 0.459146 11.00000 -1.50000 H7C 2 0.911424 0.113046 0.442406 11.00000 -1.50000 AFIX 0 C8 1 0.837864 0.087964 0.356584 11.00000 0.04265 0.04248 = 0.05889 -0.00392 0.03248 0.00850 AFIX 137 H8A 2 0.861236 0.003485 0.354225 11.00000 -1.50000 H8B 2 0.914056 0.136918 0.363197 11.00000 -1.50000 H8C 2 0.788840 0.114356 0.328532 11.00000 -1.50000 AFIX 0 C9 1 0.425809 0.253404 0.432364 11.00000 0.02280 0.02892 = 0.01930 0.00202 0.00417 0.00564 C10 1 0.508961 0.186937 0.471074 11.00000 0.03261 0.03766 = 0.02602 0.00583 0.00342 0.01319 AFIX 23 H10A 2 0.518195 0.101722 0.463007 11.00000 -1.20000 H10B 2 0.593682 0.223607 0.476392 11.00000 -1.20000 AFIX 0 C11 1 0.449561 0.194547 0.513211 11.00000 0.04597 0.04026 = 0.02241 0.00365 0.00483 0.01194 AFIX 13 H11 2 0.503460 0.150972 0.537739 11.00000 -1.20000 AFIX 0 C12 1 0.413508 0.385098 0.446039 11.00000 0.03572 0.02587 = 0.03155 0.00034 0.01183 0.00420 AFIX 23 H12A 2 0.360521 0.429202 0.421926 11.00000 -1.20000 H12B 2 0.497591 0.423109 0.451089 11.00000 -1.20000 AFIX 0 C13 1 0.236213 0.203690 0.467645 11.00000 0.03209 0.05350 = 0.03732 -0.00780 0.01363 -0.00536 AFIX 13 H13 2 0.150693 0.166489 0.462752 11.00000 -1.20000 AFIX 0 C14 1 0.225391 0.335438 0.479819 11.00000 0.02978 0.06040 = 0.03212 -0.00667 0.00951 0.01170 AFIX 23 H14A 2 0.172390 0.378156 0.455337 11.00000 -1.20000 H14B 2 0.184630 0.342142 0.506569 11.00000 -1.20000 AFIX 0 C15 1 0.354200 0.392692 0.488533 11.00000 0.03885 0.03462 = 0.02669 -0.00795 0.00828 0.00536 AFIX 13 H15 2 0.345994 0.478749 0.496904 11.00000 -1.20000 AFIX 0 C16 1 0.439282 0.326993 0.525775 11.00000 0.03546 0.05038 = 0.02313 -0.01100 0.00497 0.00408 AFIX 23 H16A 2 0.403777 0.333475 0.553645 11.00000 -1.20000 H16B 2 0.523783 0.364169 0.530520 11.00000 -1.20000 AFIX 0 C17 1 0.294612 0.193107 0.425310 11.00000 0.03123 0.04350 = 0.02952 -0.00430 0.00804 -0.00516 AFIX 23 H17A 2 0.239589 0.232626 0.400521 11.00000 -1.20000 H17B 2 0.302810 0.107446 0.417662 11.00000 -1.20000 AFIX 0 C18 1 0.319508 0.137353 0.504730 11.00000 0.06574 0.04102 = 0.02561 -0.00101 0.01476 -0.00291 AFIX 23 H18A 2 0.326914 0.052081 0.496424 11.00000 -1.20000 H18B 2 0.281039 0.140483 0.532061 11.00000 -1.20000 AFIX 0 C19 1 0.435088 0.323559 0.333364 11.00000 0.02369 0.03667 = 0.02456 0.00027 0.00567 0.00565 C20 1 0.478451 0.478465 0.258662 11.00000 0.04835 0.07686 = 0.04666 0.03086 0.00974 0.00252 AFIX 23 H20A 2 0.448690 0.520602 0.230484 11.00000 -1.20000 H20B 2 0.569539 0.494196 0.266921 11.00000 -1.20000 AFIX 0 C21 1 0.247822 0.371538 0.276749 11.00000 0.03809 0.09742 = 0.04272 0.02969 -0.01028 -0.01599 AFIX 13 H21 2 0.155577 0.357425 0.268133 11.00000 -1.20000 AFIX 0 C22 1 0.315586 0.323062 0.240540 11.00000 0.10564 0.05236 = 0.03388 0.01400 -0.02170 -0.01772 AFIX 23 H22A 2 0.283316 0.362997 0.212126 11.00000 -1.20000 H22B 2 0.299859 0.235823 0.236916 11.00000 -1.20000 AFIX 0 C23 1 0.456468 0.345982 0.252665 11.00000 0.08628 0.05997 = 0.02643 0.01387 0.02241 0.01950 AFIX 13 H23 2 0.500806 0.315903 0.228442 11.00000 -1.20000 AFIX 0 C24 1 0.294134 0.302746 0.319999 11.00000 0.03254 0.08543 = 0.03566 0.03041 -0.01000 -0.01276 AFIX 23 H24A 2 0.248705 0.331281 0.343764 11.00000 -1.20000 H24B 2 0.277205 0.215924 0.315540 11.00000 -1.20000 AFIX 0 C25 1 0.409063 0.525453 0.294424 11.00000 0.07189 0.02960 = 0.04945 0.01232 -0.00369 0.00603 AFIX 13 H25 2 0.424958 0.613503 0.298355 11.00000 -1.20000 AFIX 0 C26 1 0.457486 0.459199 0.338721 11.00000 0.05733 0.03221 = 0.03648 -0.00087 -0.00442 0.00290 AFIX 23 H26A 2 0.548405 0.474890 0.347520 11.00000 -1.20000 H26B 2 0.412990 0.490173 0.362363 11.00000 -1.20000 AFIX 0 C27 1 0.507626 0.281024 0.296216 11.00000 0.06688 0.04636 = 0.02913 0.00830 0.01754 0.02184 AFIX 23 H27A 2 0.598269 0.298649 0.304657 11.00000 -1.20000 H27B 2 0.497629 0.193232 0.292118 11.00000 -1.20000 AFIX 0 C28 1 0.270559 0.503818 0.282594 11.00000 0.05665 0.08118 = 0.04373 0.02211 0.00692 0.03092 AFIX 23 H28A 2 0.237573 0.546559 0.254835 11.00000 -1.20000 H28B 2 0.226478 0.534643 0.306367 11.00000 -1.20000 AFIX 0 C29 1 0.900000 0.386973 0.413817 11.00000 0.01788 0.06553 = 0.03625 -0.00529 -0.00150 -0.00875 H29 2 0.938028 0.372204 0.439626 11.00000 0.04135 C30 1 0.803517 0.471595 0.409619 11.00000 0.02902 0.04753 = 0.04469 -0.02213 0.00799 -0.01046 H30 2 0.780662 0.506980 0.431620 11.00000 0.05812 C31 1 0.794791 0.529481 0.364618 11.00000 0.02851 0.03065 = 0.06110 -0.01035 0.01426 -0.00411 C32 1 0.950874 0.383159 0.371600 11.00000 0.02360 0.04696 = 0.04434 -0.00369 0.00525 0.00195 C33 1 0.892614 0.478043 0.297609 11.00000 0.01910 0.05184 = 0.04915 0.00235 0.00946 0.00996 C34 1 0.863136 0.379877 0.269603 11.00000 0.04604 0.04448 = 0.04640 0.01029 0.01277 0.00542 AFIX 43 H34 2 0.835056 0.307156 0.280997 11.00000 -1.20000 AFIX 0 C35 1 0.874494 0.387985 0.225981 11.00000 0.04826 0.06374 = 0.04675 -0.00740 0.00294 0.00460 AFIX 43 H35 2 0.855090 0.320833 0.207011 11.00000 -1.20000 AFIX 0 C36 1 0.914573 0.494830 0.209287 11.00000 0.03691 0.08321 = 0.04557 0.01208 0.00646 0.01101 AFIX 43 H36 2 0.923198 0.500381 0.178918 11.00000 -1.20000 AFIX 0 C37 1 0.940844 0.589169 0.235657 11.00000 0.03986 0.06848 = 0.07240 0.03256 0.01915 0.00781 AFIX 43 H37 2 0.966646 0.661920 0.223598 11.00000 -1.20000 AFIX 0 C38 1 0.931410 0.584119 0.281168 11.00000 0.03746 0.04797 = 0.06150 0.00429 0.01198 -0.00555 AFIX 43 H38 2 0.951238 0.651847 0.299813 11.00000 -1.20000 AFIX 0 N1 3 0.762001 0.101673 0.392303 11.00000 0.02175 0.03335 = 0.03503 0.00169 0.01263 0.00670 N2 3 0.881659 0.465962 0.343573 11.00000 0.02788 0.03903 = 0.04611 -0.00011 0.01101 0.00539 O1 4 0.730995 0.609478 0.349029 11.00000 0.05110 0.03309 = 0.07719 0.00190 0.02178 0.00906 O2 4 1.032675 0.319788 0.361457 11.00000 0.02922 0.06013 = 0.05428 0.00847 0.01044 0.01361 PART 1 SAME SB1' > F6' SB1 7 0.118603 0.749557 0.430106 21.00000 0.04745 0.03973 = 0.04916 0.00585 0.00993 -0.01114 F1 5 0.015175 0.809746 0.381191 21.00000 0.12236 0.12558 = 0.09631 0.02470 -0.00911 0.03009 F2 5 0.034145 0.606692 0.424020 21.00000 0.08986 0.07560 = 0.13504 -0.00524 -0.00097 -0.03669 F3 5 0.206898 0.688716 0.484254 21.00000 0.07741 0.12485 = 0.09829 0.00483 -0.02939 0.01387 F4 5 0.211058 0.885769 0.441498 21.00000 0.10983 0.08500 = 0.15683 -0.02659 0.02752 -0.03811 F5 5 0.234103 0.690358 0.399632 21.00000 0.10472 0.11949 = 0.13770 -0.03453 0.05705 0.00663 F6 5 0.008055 0.812390 0.464963 21.00000 0.08874 0.11430 = 0.11279 0.00001 0.03727 0.03346 PART 2 SB1' 7 0.103631 0.748004 0.427612 -21.00000 0.03514 0.05376 = 0.07036 -0.01643 0.00335 -0.00374 F1' 5 0.112397 0.905173 0.448735 -21.00000 0.10574 0.07134 = 0.15371 -0.03471 -0.00354 -0.00043 F2' 5 0.129469 0.689710 0.485212 -21.00000 0.10300 0.12162 = 0.08262 0.01485 0.01307 0.00426 F3' 5 0.096584 0.588533 0.407783 -21.00000 0.09136 0.06404 = 0.12036 -0.02619 0.01401 -0.00421 F4' 5 0.090938 0.797244 0.371423 -21.00000 0.09337 0.12659 = 0.08356 0.03432 0.00973 -0.00161 F5' 5 -0.064281 0.750070 0.427095 -21.00000 0.05833 0.10249 = 0.12965 -0.00019 0.02203 0.00599 F6' 5 0.275812 0.747309 0.430766 -21.00000 0.04924 0.12171 = 0.14181 -0.00057 0.00713 -0.00738 PART 0 P1 6 0.510937 0.245509 0.384436 11.00000 0.01895 0.02666 = 0.02064 -0.00102 0.00330 0.00363 AU1 8 0.723261 0.296754 0.400275 11.00000 0.02053 0.03726 = 0.02557 -0.00339 0.00292 0.00229 HKLF 4 REM ATO0641_a.res in P2(1)/c REM R1 = 0.0429 for 5481 Fo > 4sig(Fo) and 0.0529 for all 6414 data REM 535 parameters refined using 279 restraints END WGHT 0.0474 21.5104 REM Highest difference peak 3.717, deepest hole -1.470, 1-sigma level 0.150 Q1 1 0.7049 0.3551 0.4181 11.00000 0.05 3.72 Q2 1 0.7058 0.2408 0.4177 11.00000 0.05 2.34 Q3 1 0.1100 0.9202 0.4130 11.00000 0.05 1.07 Q4 1 0.2913 0.6754 0.4184 11.00000 0.05 0.80 Q5 1 -0.0663 0.7621 0.3932 11.00000 0.05 0.79 Q6 1 0.1589 0.7133 0.3720 11.00000 0.05 0.77 Q7 1 0.0520 0.8762 0.4660 11.00000 0.05 0.65 Q8 1 0.0825 0.8030 0.4392 11.00000 0.05 0.64 Q9 1 0.8031 0.3320 0.2389 11.00000 0.05 0.61 Q10 1 0.1090 0.5897 0.4379 11.00000 0.05 0.58 Q11 1 0.0639 0.7023 0.4336 11.00000 0.05 0.58 Q12 1 0.0966 0.7746 0.4078 11.00000 0.05 0.57 Q13 1 0.2517 0.7451 0.4603 11.00000 0.05 0.55 Q14 1 0.1593 0.6495 0.2204 11.00000 0.05 0.54 Q15 1 0.0749 0.6191 0.4613 11.00000 0.05 0.48 Q16 1 0.8406 0.2638 0.2817 11.00000 0.05 0.48 Q17 1 0.2792 0.3021 0.2623 11.00000 0.05 0.47 Q18 1 0.5845 0.3250 0.2484 11.00000 0.05 0.46 Q19 1 0.7060 0.0535 0.3912 11.00000 0.05 0.46 Q20 1 0.3184 -0.1552 0.3634 11.00000 0.05 0.45 ; _shelx_res_checksum 61229 loop_ _symmetry_equiv_pos_as_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 C1 C 0.5251(7) 0.0849(6) 0.3734(2) 0.0257(15) Uani 1 1 d . . . . . C2 C 0.4216(7) 0.0129(7) 0.3604(2) 0.0319(16) Uani 1 1 d . . . . . H2 H 0.3412 0.0494 0.3538 0.038 Uiso 1 1 calc R U . . . C3 C 0.4309(8) -0.1097(7) 0.3564(2) 0.0347(17) Uani 1 1 d . . . . . H3 H 0.3577 -0.1568 0.3477 0.042 Uiso 1 1 calc R U . . . C4 C 0.5467(8) -0.1631(7) 0.3651(2) 0.0374(18) Uani 1 1 d . . . . . H4 H 0.554 -0.2478 0.3628 0.045 Uiso 1 1 calc R U . . . C5 C 0.6544(7) -0.0929(6) 0.3774(2) 0.0317(16) Uani 1 1 d . . . . . H5 H 0.7348 -0.1299 0.3827 0.038 Uiso 1 1 calc R U . . . C6 C 0.6438(7) 0.0306(6) 0.3816(2) 0.0284(15) Uani 1 1 d . . . . . C7 C 0.8357(8) 0.0634(7) 0.4357(3) 0.045(2) Uani 1 1 d . . . . . H7A H 0.8599 -0.021 0.434 0.068 Uiso 1 1 calc R U . . . H7B H 0.7841 0.0732 0.4591 0.068 Uiso 1 1 calc R U . . . H7C H 0.9114 0.113 0.4424 0.068 Uiso 1 1 calc R U . . . C8 C 0.8379(8) 0.0880(7) 0.3566(3) 0.045(2) Uani 1 1 d . . . . . H8A H 0.8612 0.0035 0.3542 0.068 Uiso 1 1 calc R U . . . H8B H 0.9141 0.1369 0.3632 0.068 Uiso 1 1 calc R U . . . H8C H 0.7888 0.1144 0.3285 0.068 Uiso 1 1 calc R U . . . C9 C 0.4258(6) 0.2534(6) 0.4324(2) 0.0236(14) Uani 1 1 d . . . . . C10 C 0.5090(7) 0.1869(7) 0.4711(2) 0.0322(16) Uani 1 1 d . . . . . H10A H 0.5182 0.1017 0.463 0.039 Uiso 1 1 calc R U . . . H10B H 0.5937 0.2236 0.4764 0.039 Uiso 1 1 calc R U . . . C11 C 0.4496(8) 0.1945(7) 0.5132(2) 0.0363(18) Uani 1 1 d . . . . . H11 H 0.5035 0.151 0.5377 0.044 Uiso 1 1 calc R U . . . C12 C 0.4135(7) 0.3851(6) 0.4460(2) 0.0303(16) Uani 1 1 d . . . . . H12A H 0.3605 0.4292 0.4219 0.036 Uiso 1 1 calc R U . . . H12B H 0.4976 0.4231 0.4511 0.036 Uiso 1 1 calc R U . . . C13 C 0.2362(8) 0.2037(8) 0.4676(3) 0.0401(18) Uani 1 1 d . . . . . H13 H 0.1507 0.1665 0.4628 0.048 Uiso 1 1 calc R U . . . C14 C 0.2254(7) 0.3354(8) 0.4798(2) 0.0403(19) Uani 1 1 d . . . . . H14A H 0.1724 0.3782 0.4553 0.048 Uiso 1 1 calc R U . . . H14B H 0.1846 0.3421 0.5066 0.048 Uiso 1 1 calc R U . . . C15 C 0.3542(7) 0.3927(7) 0.4885(2) 0.0330(16) Uani 1 1 d . . . . . H15 H 0.346 0.4787 0.4969 0.04 Uiso 1 1 calc R U . . . C16 C 0.4393(7) 0.3270(7) 0.5258(2) 0.0363(18) Uani 1 1 d . . . . . H16A H 0.4038 0.3335 0.5536 0.044 Uiso 1 1 calc R U . . . H16B H 0.5238 0.3642 0.5305 0.044 Uiso 1 1 calc R U . . . C17 C 0.2946(7) 0.1931(7) 0.4253(2) 0.0344(17) Uani 1 1 d . . . . . H17A H 0.2396 0.2326 0.4005 0.041 Uiso 1 1 calc R U . . . H17B H 0.3028 0.1074 0.4177 0.041 Uiso 1 1 calc R U . . . C18 C 0.3195(8) 0.1374(7) 0.5047(2) 0.043(2) Uani 1 1 d . . . . . H18A H 0.3269 0.0521 0.4964 0.052 Uiso 1 1 calc R U . . . H18B H 0.281 0.1405 0.5321 0.052 Uiso 1 1 calc R U . . . C19 C 0.4351(7) 0.3236(6) 0.3334(2) 0.0281(15) Uani 1 1 d . . . . . C20 C 0.4785(9) 0.4785(9) 0.2587(3) 0.057(3) Uani 1 1 d . . . . . H20A H 0.4487 0.5206 0.2305 0.068 Uiso 1 1 calc R U . . . H20B H 0.5695 0.4942 0.2669 0.068 Uiso 1 1 calc R U . . . C21 C 0.2478(9) 0.3715(10) 0.2767(3) 0.061(3) Uani 1 1 d . . . . . H21 H 0.1556 0.3574 0.2681 0.073 Uiso 1 1 calc R U . . . C22 C 0.3156(11) 0.3231(9) 0.2405(3) 0.067(3) Uani 1 1 d . . . . . H22A H 0.2833 0.363 0.2121 0.081 Uiso 1 1 calc R U . . . H22B H 0.2999 0.2358 0.2369 0.081 Uiso 1 1 calc R U . . . C23 C 0.4565(10) 0.3460(9) 0.2527(3) 0.056(3) Uani 1 1 d . . . . . H23 H 0.5008 0.3159 0.2284 0.067 Uiso 1 1 calc R U . . . C24 C 0.2941(8) 0.3027(9) 0.3200(3) 0.053(2) Uani 1 1 d . . . . . H24A H 0.2487 0.3313 0.3438 0.063 Uiso 1 1 calc R U . . . H24B H 0.2772 0.2159 0.3155 0.063 Uiso 1 1 calc R U . . . C25 C 0.4091(9) 0.5255(8) 0.2944(3) 0.052(2) Uani 1 1 d . . . . . H25 H 0.425 0.6135 0.2984 0.062 Uiso 1 1 calc R U . . . C26 C 0.4575(9) 0.4592(7) 0.3387(3) 0.043(2) Uani 1 1 d . . . . . H26A H 0.5484 0.4749 0.3475 0.052 Uiso 1 1 calc R U . . . H26B H 0.413 0.4902 0.3624 0.052 Uiso 1 1 calc R U . . . C27 C 0.5076(9) 0.2810(8) 0.2962(2) 0.046(2) Uani 1 1 d . . . . . H27A H 0.5983 0.2986 0.3047 0.056 Uiso 1 1 calc R U . . . H27B H 0.4976 0.1932 0.2921 0.056 Uiso 1 1 calc R U . . . C28 C 0.2706(9) 0.5038(10) 0.2826(3) 0.061(3) Uani 1 1 d . . . . . H28A H 0.2376 0.5466 0.2548 0.073 Uiso 1 1 calc R U . . . H28B H 0.2265 0.5346 0.3064 0.073 Uiso 1 1 calc R U . . . C29 C 0.9000(7) 0.3870(8) 0.4138(3) 0.0405(19) Uani 1 1 d . . . . . H29 H 0.938(8) 0.372(7) 0.440(3) 0.04(2) Uiso 1 1 d . . . . . C30 C 0.8035(8) 0.4716(8) 0.4096(3) 0.0402(19) Uani 1 1 d . . . . . H30 H 0.781(9) 0.507(8) 0.432(3) 0.06(3) Uiso 1 1 d . . . . . C31 C 0.7948(7) 0.5295(7) 0.3646(3) 0.0393(19) Uani 1 1 d . . . . . C32 C 0.9509(7) 0.3832(7) 0.3716(3) 0.0383(18) Uani 1 1 d . . . . . C33 C 0.8926(7) 0.4780(8) 0.2976(3) 0.0396(19) Uani 1 1 d . . . . . C34 C 0.8631(8) 0.3799(8) 0.2696(3) 0.045(2) Uani 1 1 d . . . . . H34 H 0.8351 0.3072 0.281 0.054 Uiso 1 1 calc R U . . . C35 C 0.8745(9) 0.3880(9) 0.2260(3) 0.053(2) Uani 1 1 d . . . . . H35 H 0.8551 0.3208 0.207 0.064 Uiso 1 1 calc R U . . . C36 C 0.9146(8) 0.4948(10) 0.2093(3) 0.055(2) Uani 1 1 d . . . . . H36 H 0.9232 0.5004 0.1789 0.066 Uiso 1 1 calc R U . . . C37 C 0.9408(9) 0.5892(10) 0.2357(3) 0.059(3) Uani 1 1 d . . . . . H37 H 0.9666 0.6619 0.2236 0.071 Uiso 1 1 calc R U . . . C38 C 0.9314(8) 0.5841(8) 0.2812(3) 0.049(2) Uani 1 1 d . . . . . H38 H 0.9512 0.6518 0.2998 0.058 Uiso 1 1 calc R U . . . N1 N 0.7620(5) 0.1017(5) 0.39230(19) 0.0292(13) Uani 1 1 d . . . . . N2 N 0.8817(6) 0.4660(6) 0.3436(2) 0.0371(15) Uani 1 1 d . . . . . O1 O 0.7310(6) 0.6095(5) 0.3490(2) 0.0525(15) Uani 1 1 d . . . . . O2 O 1.0327(5) 0.3198(5) 0.36146(19) 0.0475(14) Uani 1 1 d . . . . . Sb1 Sb 0.1186(7) 0.7496(4) 0.43011(18) 0.0452(9) Uani 0.576(7) 1 d D U P A 1 F1 F 0.0152(16) 0.8097(14) 0.3812(5) 0.118(4) Uani 0.576(7) 1 d D U P A 1 F2 F 0.0341(13) 0.6067(11) 0.4240(5) 0.102(3) Uani 0.576(7) 1 d D U P A 1 F3 F 0.2069(14) 0.6887(14) 0.4843(4) 0.105(4) Uani 0.576(7) 1 d D U P A 1 F4 F 0.2111(15) 0.8858(12) 0.4415(5) 0.117(4) Uani 0.576(7) 1 d D U P A 1 F5 F 0.2341(14) 0.6904(13) 0.3996(5) 0.117(4) Uani 0.576(7) 1 d D U P A 1 F6 F 0.0081(12) 0.8124(12) 0.4650(4) 0.103(3) Uani 0.576(7) 1 d D U P A 1 Sb1' Sb 0.1036(9) 0.7480(6) 0.4276(3) 0.0536(14) Uani 0.424(7) 1 d D U P A 2 F1' F 0.112(2) 0.9052(13) 0.4487(7) 0.113(4) Uani 0.424(7) 1 d D U P A 2 F2' F 0.129(2) 0.6897(18) 0.4852(5) 0.103(4) Uani 0.424(7) 1 d D U P A 2 F3' F 0.0966(18) 0.5885(13) 0.4078(6) 0.092(4) Uani 0.424(7) 1 d D U P A 2 F4' F 0.0909(19) 0.7972(18) 0.3714(5) 0.102(4) Uani 0.424(7) 1 d D U P A 2 F5' F -0.0643(12) 0.7501(16) 0.4271(6) 0.096(3) Uani 0.424(7) 1 d D U P A 2 F6' F 0.2758(12) 0.7473(18) 0.4308(7) 0.105(4) Uani 0.424(7) 1 d D U P A 2 P1 P 0.51094(16) 0.24551(16) 0.38444(5) 0.0221(3) Uani 1 1 d . . . . . Au1 Au 0.72326(2) 0.29675(3) 0.40027(2) 0.02786(10) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.031(4) 0.028(4) 0.019(3) -0.001(3) 0.007(3) 0.005(3) C2 0.030(4) 0.037(4) 0.030(4) -0.004(3) 0.009(3) 0.003(3) C3 0.041(5) 0.037(4) 0.027(4) -0.006(3) 0.008(3) -0.002(3) C4 0.061(6) 0.027(4) 0.025(4) 0.000(3) 0.009(3) 0.008(4) C5 0.041(4) 0.034(4) 0.021(3) 0.003(3) 0.005(3) 0.017(3) C6 0.036(4) 0.036(4) 0.014(3) 0.001(3) 0.004(3) 0.010(3) C7 0.032(4) 0.043(5) 0.054(5) 0.013(4) -0.015(4) 0.004(4) C8 0.043(5) 0.042(5) 0.059(5) -0.004(4) 0.032(4) 0.008(4) C9 0.023(4) 0.029(3) 0.019(3) 0.002(3) 0.004(3) 0.006(3) C10 0.033(4) 0.038(4) 0.026(3) 0.006(3) 0.003(3) 0.013(3) C11 0.046(5) 0.040(4) 0.022(3) 0.004(3) 0.005(3) 0.012(4) C12 0.036(4) 0.026(4) 0.032(4) 0.000(3) 0.012(3) 0.004(3) C13 0.032(4) 0.054(5) 0.037(4) -0.008(4) 0.014(3) -0.005(4) C14 0.030(4) 0.060(5) 0.032(4) -0.007(4) 0.010(3) 0.012(4) C15 0.039(4) 0.035(4) 0.027(4) -0.008(3) 0.008(3) 0.005(3) C16 0.035(4) 0.050(5) 0.023(3) -0.011(3) 0.005(3) 0.004(4) C17 0.031(4) 0.043(4) 0.030(4) -0.004(3) 0.008(3) -0.005(3) C18 0.066(6) 0.041(5) 0.026(4) -0.001(3) 0.015(4) -0.003(4) C19 0.024(4) 0.037(4) 0.025(3) 0.000(3) 0.006(3) 0.006(3) C20 0.048(6) 0.077(7) 0.047(5) 0.031(5) 0.010(4) 0.003(5) C21 0.038(5) 0.097(8) 0.043(5) 0.030(5) -0.010(4) -0.016(5) C22 0.106(9) 0.052(6) 0.034(5) 0.014(4) -0.022(5) -0.018(6) C23 0.086(8) 0.060(6) 0.026(4) 0.014(4) 0.022(4) 0.019(5) C24 0.033(5) 0.085(7) 0.036(4) 0.030(4) -0.010(4) -0.013(4) C25 0.072(7) 0.030(4) 0.049(5) 0.012(4) -0.004(5) 0.006(4) C26 0.057(6) 0.032(4) 0.036(4) -0.001(3) -0.004(4) 0.003(4) C27 0.067(6) 0.046(5) 0.029(4) 0.008(3) 0.018(4) 0.022(4) C28 0.057(6) 0.081(7) 0.044(5) 0.022(5) 0.007(4) 0.031(5) C29 0.018(4) 0.066(6) 0.036(4) -0.005(4) -0.002(3) -0.009(4) C30 0.029(4) 0.048(5) 0.045(5) -0.022(4) 0.008(4) -0.010(4) C31 0.029(4) 0.031(4) 0.061(5) -0.010(4) 0.014(4) -0.004(3) C32 0.024(4) 0.047(5) 0.044(4) -0.004(4) 0.005(3) 0.002(3) C33 0.019(4) 0.052(5) 0.049(5) 0.002(4) 0.009(3) 0.010(3) C34 0.046(5) 0.044(5) 0.046(5) 0.010(4) 0.013(4) 0.005(4) C35 0.048(6) 0.064(6) 0.047(5) -0.007(4) 0.003(4) 0.005(5) C36 0.037(5) 0.083(7) 0.046(5) 0.012(5) 0.006(4) 0.011(5) C37 0.040(5) 0.068(7) 0.072(7) 0.033(6) 0.019(5) 0.008(5) C38 0.037(5) 0.048(5) 0.062(6) 0.004(4) 0.012(4) -0.006(4) N1 0.022(3) 0.033(3) 0.035(3) 0.002(3) 0.013(2) 0.007(2) N2 0.028(3) 0.039(4) 0.046(4) 0.000(3) 0.011(3) 0.005(3) O1 0.051(4) 0.033(3) 0.077(4) 0.002(3) 0.022(3) 0.009(3) O2 0.029(3) 0.060(4) 0.054(3) 0.008(3) 0.010(3) 0.014(3) Sb1 0.047(2) 0.0397(13) 0.0492(13) 0.0058(11) 0.0099(12) -0.0111(10) F1 0.122(8) 0.126(7) 0.096(6) 0.025(6) -0.009(6) 0.030(7) F2 0.090(7) 0.076(5) 0.135(8) -0.005(5) -0.001(6) -0.037(5) F3 0.077(8) 0.125(8) 0.098(6) 0.005(6) -0.029(6) 0.014(7) F4 0.110(7) 0.085(6) 0.157(8) -0.027(6) 0.028(6) -0.038(6) F5 0.105(7) 0.119(8) 0.138(7) -0.035(6) 0.057(6) 0.007(6) F6 0.089(6) 0.114(7) 0.113(6) 0.000(6) 0.037(5) 0.033(5) Sb1' 0.0351(17) 0.054(2) 0.070(2) -0.0164(17) 0.0033(13) -0.0037(13) F1' 0.106(8) 0.071(6) 0.154(8) -0.035(6) -0.004(8) 0.000(6) F2' 0.103(8) 0.122(8) 0.083(6) 0.015(6) 0.013(7) 0.004(9) F3' 0.091(8) 0.064(5) 0.120(8) -0.026(6) 0.014(8) -0.004(6) F4' 0.093(9) 0.127(8) 0.084(6) 0.034(6) 0.010(6) -0.002(9) F5' 0.058(5) 0.102(7) 0.130(8) 0.000(7) 0.022(6) 0.006(5) F6' 0.049(5) 0.122(8) 0.142(9) -0.001(8) 0.007(6) -0.007(6) P1 0.0189(9) 0.0267(9) 0.0206(8) -0.0010(7) 0.0033(6) 0.0036(7) Au1 0.02053(15) 0.03726(17) 0.02557(15) -0.00339(11) 0.00292(10) 0.00229(12) 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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 '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' Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Au Au -2.0133 8.8022 '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 C2 C1 C6 118.3(6) C2 C1 P1 122.3(5) C6 C1 P1 119.2(5) C3 C2 C1 122.4(7) C3 C2 H2 118.8 C1 C2 H2 118.8 C4 C3 C2 119.3(7) C4 C3 H3 120.3 C2 C3 H3 120.3 C3 C4 C5 120.0(7) C3 C4 H4 120 C5 C4 H4 120 C6 C5 C4 120.2(7) C6 C5 H5 119.9 C4 C5 H5 119.9 C5 C6 C1 119.7(7) C5 C6 N1 117.9(6) C1 C6 N1 122.3(6) N1 C7 H7A 109.5 N1 C7 H7B 109.5 H7A C7 H7B 109.5 N1 C7 H7C 109.5 H7A C7 H7C 109.5 H7B C7 H7C 109.5 N1 C8 H8A 109.5 N1 C8 H8B 109.5 H8A C8 H8B 109.5 N1 C8 H8C 109.5 H8A C8 H8C 109.5 H8B C8 H8C 109.5 C12 C9 C17 109.7(6) C12 C9 C10 108.1(5) C17 C9 C10 107.7(6) C12 C9 P1 109.6(5) C17 C9 P1 115.1(5) C10 C9 P1 106.4(4) C11 C10 C9 110.4(6) C11 C10 H10A 109.6 C9 C10 H10A 109.6 C11 C10 H10B 109.6 C9 C10 H10B 109.6 H10A C10 H10B 108.1 C18 C11 C10 109.1(6) C18 C11 C16 110.2(6) C10 C11 C16 108.7(6) C18 C11 H11 109.6 C10 C11 H11 109.6 C16 C11 H11 109.6 C9 C12 C15 110.3(6) C9 C12 H12A 109.6 C15 C12 H12A 109.6 C9 C12 H12B 109.6 C15 C12 H12B 109.6 H12A C12 H12B 108.1 C14 C13 C18 110.1(6) C14 C13 C17 109.8(7) C18 C13 C17 108.7(7) C14 C13 H13 109.4 C18 C13 H13 109.4 C17 C13 H13 109.4 C15 C14 C13 110.3(6) C15 C14 H14A 109.6 C13 C14 H14A 109.6 C15 C14 H14B 109.6 C13 C14 H14B 109.6 H14A C14 H14B 108.1 C14 C15 C16 110.8(7) C14 C15 C12 108.6(6) C16 C15 C12 108.8(6) C14 C15 H15 109.5 C16 C15 H15 109.5 C12 C15 H15 109.5 C15 C16 C11 109.4(6) C15 C16 H16A 109.8 C11 C16 H16A 109.8 C15 C16 H16B 109.8 C11 C16 H16B 109.8 H16A C16 H16B 108.2 C13 C17 C9 109.6(6) C13 C17 H17A 109.8 C9 C17 H17A 109.8 C13 C17 H17B 109.8 C9 C17 H17B 109.8 H17A C17 H17B 108.2 C13 C18 C11 110.1(6) C13 C18 H18A 109.6 C11 C18 H18A 109.7 C13 C18 H18B 109.7 C11 C18 H18B 109.7 H18A C18 H18B 108.2 C24 C19 C26 108.1(7) C24 C19 C27 110.6(7) C26 C19 C27 106.9(6) C24 C19 P1 116.2(5) C26 C19 P1 109.2(5) C27 C19 P1 105.5(5) C23 C20 C25 110.0(7) C23 C20 H20A 109.7 C25 C20 H20A 109.7 C23 C20 H20B 109.7 C25 C20 H20B 109.7 H20A C20 H20B 108.2 C28 C21 C22 110.4(8) C28 C21 C24 111.2(8) C22 C21 C24 108.7(9) C28 C21 H21 108.8 C22 C21 H21 108.8 C24 C21 H21 108.8 C21 C22 C23 109.6(7) C21 C22 H22A 109.7 C23 C22 H22A 109.7 C21 C22 H22B 109.7 C23 C22 H22B 109.7 H22A C22 H22B 108.2 C20 C23 C22 109.0(8) C20 C23 C27 109.1(8) C22 C23 C27 109.8(8) C20 C23 H23 109.6 C22 C23 H23 109.6 C27 C23 H23 109.6 C19 C24 C21 109.2(7) C19 C24 H24A 109.8 C21 C24 H24A 109.8 C19 C24 H24B 109.8 C21 C24 H24B 109.8 H24A C24 H24B 108.3 C28 C25 C20 110.8(8) C28 C25 C26 108.6(8) C20 C25 C26 109.2(7) C28 C25 H25 109.4 C20 C25 H25 109.4 C26 C25 H25 109.4 C19 C26 C25 110.3(6) C19 C26 H26A 109.6 C25 C26 H26A 109.6 C19 C26 H26B 109.6 C25 C26 H26B 109.6 H26A C26 H26B 108.1 C23 C27 C19 109.7(7) C23 C27 H27A 109.7 C19 C27 H27A 109.7 C23 C27 H27B 109.7 C19 C27 H27B 109.7 H27A C27 H27B 108.2 C25 C28 C21 108.9(8) C25 C28 H28A 109.9 C21 C28 H28A 109.9 C25 C28 H28B 109.9 C21 C28 H28B 109.9 H28A C28 H28B 108.3 C30 C29 C32 108.1(8) C30 C29 Au1 70.8(4) C32 C29 Au1 104.9(5) C30 C29 H29 118(6) C32 C29 H29 128(6) Au1 C29 H29 112(6) C29 C30 C31 108.2(7) C29 C30 Au1 71.1(5) C31 C30 Au1 107.6(5) C29 C30 H30 123(7) C31 C30 H30 123(6) Au1 C30 H30 112(7) O1 C31 N2 125.6(8) O1 C31 C30 129.8(8) N2 C31 C30 104.5(7) O2 C32 N2 124.8(7) O2 C32 C29 128.7(8) N2 C32 C29 106.4(7) C38 C33 C34 120.2(8) C38 C33 N2 121.0(8) C34 C33 N2 118.8(7) C35 C34 C33 120.2(8) C35 C34 H34 119.9 C33 C34 H34 119.9 C34 C35 C36 119.8(9) C34 C35 H35 120.1 C36 C35 H35 120.1 C37 C36 C35 120.2(9) C37 C36 H36 119.9 C35 C36 H36 119.9 C36 C37 C38 121.7(9) C36 C37 H37 119.1 C38 C37 H37 119.1 C33 C38 C37 117.9(9) C33 C38 H38 121.1 C37 C38 H38 121.1 C8 N1 C6 109.7(6) C8 N1 C7 110.5(6) C6 N1 C7 111.0(5) C8 N1 Au1 108.5(5) C6 N1 Au1 111.9(4) C7 N1 Au1 105.2(5) C32 N2 C31 112.4(7) C32 N2 C33 123.1(6) C31 N2 C33 124.3(6) F5 Sb1 F4 90.2(8) F5 Sb1 F2 90.1(8) F4 Sb1 F2 174.1(8) F5 Sb1 F1 95.3(8) F4 Sb1 F1 95.5(7) F2 Sb1 F1 90.3(8) F5 Sb1 F6 176.0(8) F4 Sb1 F6 87.5(7) F2 Sb1 F6 91.9(7) F1 Sb1 F6 88.2(7) F5 Sb1 F3 91.6(8) F4 Sb1 F3 86.9(7) F2 Sb1 F3 87.2(6) F1 Sb1 F3 172.7(8) F6 Sb1 F3 85.0(7) F4' Sb1' F5' 93.5(10) F4' Sb1' F6' 88.7(9) F5' Sb1' F6' 177.5(10) F4' Sb1' F2' 175.0(11) F5' Sb1' F2' 90.8(9) F6' Sb1' F2' 87.0(9) F4' Sb1' F1' 92.1(9) F5' Sb1' F1' 89.3(9) F6' Sb1' F1' 89.4(9) F2' Sb1' F1' 90.4(9) F4' Sb1' F3' 89.2(9) F5' Sb1' F3' 91.1(9) F6' Sb1' F3' 90.1(9) F2' Sb1' F3' 88.2(8) F1' Sb1' F3' 178.6(10) C1 P1 C9 104.9(3) C1 P1 C19 109.9(3) C9 P1 C19 115.9(3) C1 P1 Au1 99.8(2) C9 P1 Au1 114.5(2) C19 P1 Au1 110.3(2) C30 Au1 C29 38.1(3) C30 Au1 N1 145.6(3) C29 Au1 N1 107.6(3) C30 Au1 P1 128.0(2) C29 Au1 P1 166.1(3) N1 Au1 P1 86.16(16) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C1 C2 1.380(10) C1 C6 1.402(10) C1 P1 1.832(7) C2 C3 1.377(11) C2 H2 0.95 C3 C4 1.371(11) C3 H3 0.95 C4 C5 1.400(11) C4 H4 0.95 C5 C6 1.389(10) C5 H5 0.95 C6 N1 1.491(9) C7 N1 1.499(9) C7 H7A 0.98 C7 H7B 0.98 C7 H7C 0.98 C8 N1 1.471(9) C8 H8A 0.98 C8 H8B 0.98 C8 H8C 0.98 C9 C12 1.537(10) C9 C17 1.549(10) C9 C10 1.556(9) C9 P1 1.849(7) C10 C11 1.528(10) C10 H10A 0.99 C10 H10B 0.99 C11 C18 1.524(12) C11 C16 1.533(11) C11 H11 1 C12 C15 1.538(9) C12 H12A 0.99 C12 H12B 0.99 C13 C14 1.523(12) C13 C18 1.523(11) C13 C17 1.530(10) C13 H13 1 C14 C15 1.513(11) C14 H14A 0.99 C14 H14B 0.99 C15 C16 1.532(10) C15 H15 1 C16 H16A 0.99 C16 H16B 0.99 C17 H17A 0.99 C17 H17B 0.99 C18 H18A 0.99 C18 H18B 0.99 C19 C24 1.527(10) C19 C26 1.535(10) C19 C27 1.550(10) C19 P1 1.862(7) C20 C23 1.502(14) C20 C25 1.512(13) C20 H20A 0.99 C20 H20B 0.99 C21 C28 1.500(15) C21 C22 1.518(15) C21 C24 1.543(11) C21 H21 1 C22 C23 1.527(15) C22 H22A 0.99 C22 H22B 0.99 C23 C27 1.541(11) C23 H23 1 C24 H24A 0.99 C24 H24B 0.99 C25 C28 1.499(14) C25 C26 1.560(11) C25 H25 1 C26 H26A 0.99 C26 H26B 0.99 C27 H27A 0.99 C27 H27B 0.99 C28 H28A 0.99 C28 H28B 0.99 C29 C30 1.394(12) C29 C32 1.480(11) C29 Au1 2.136(7) C29 H29 0.85(8) C30 C31 1.510(12) C30 Au1 2.133(8) C30 H30 0.85(10) C31 O1 1.180(10) C31 N2 1.407(10) C32 O2 1.207(9) C32 N2 1.394(10) C33 C38 1.375(12) C33 C34 1.395(12) C33 N2 1.436(10) C34 C35 1.362(12) C34 H34 0.95 C35 C36 1.390(14) C35 H35 0.95 C36 C37 1.328(14) C36 H36 0.95 C37 C38 1.413(13) C37 H37 0.95 C38 H38 0.95 N1 Au1 2.234(6) Sb1 F5 1.793(13) Sb1 F4 1.819(12) Sb1 F2 1.829(12) Sb1 F1 1.847(13) Sb1 F6 1.855(12) Sb1 F3 1.902(12) Sb1' F4' 1.789(15) Sb1' F5' 1.807(15) Sb1' F6' 1.842(15) Sb1' F2' 1.858(15) Sb1' F1' 1.864(15) Sb1' F3' 1.875(14) P1 Au1 2.3339(17)