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#$Date: 2023-05-05 03:37:59 +0300 (Fri, 05 May 2023) $
#$Revision: 283127 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/15/7131509.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_7131509
loop_
_publ_author_name
'Ohms, Leon'
'Eickhoff, Liesa'
'Kramer, Pascal'
'Villinger, Alexander'
'Bresien, Jonas'
'Schulz, Axel'
_publ_section_title
;
 Coinage metal complexes of multidentate Pacman phosphane ligands.
;
_journal_issue                   35
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5245
_journal_page_last               5248
_journal_paper_doi               10.1039/d3cc01174g
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety
'C58 H76 Au2 N10 P2 +, Au Cl2 -, 2.39(C4 H8 O), 0.61(C H2 Cl2)'
_chemical_formula_sum            'C68.19 H96.37 Au2 Cl3.21 N10 O2.39 P2'
_chemical_formula_weight         1664.12
_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
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-12-14 deposited with the CCDC.	2023-04-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.9550(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.7640(8)
_cell_length_b                   14.1706(7)
_cell_length_c                   29.9119(13)
_cell_measurement_reflns_used    9923
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      30.84
_cell_measurement_theta_min      2.21
_cell_volume                     6976.3(6)
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_collection       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 2012)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex Kappa-II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0629
_diffrn_reflns_av_unetI/netI     0.0477
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            118200
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.000
_diffrn_reflns_theta_min         2.597
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    4.422
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.4947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS-2016/2; Sheldrick, 2015)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_description       plate
_exptl_crystal_F_000             3349
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.217
_refine_diff_density_min         -1.580
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     893
_refine_ls_number_reflns         22231
_refine_ls_number_restraints     657
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0406
_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/[σ²(Fo²)+(0.0299P)²+15.1332P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0849
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17962
_reflns_number_total             22231
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc01174g10.cif
_cod_data_source_block           is_lo017b
_cod_depositor_comments
'Adding full bibliography for 7131503--7131510.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7131509
_shelx_shelxl_version_number     2014/7
_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_min   0.360
_shelx_estimated_absorpt_t_max   0.809
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
Au1 Au 0.24382(2) 0.81421(2) 0.33545(2) 0.01223(3) Uani 1 1 d . . . . .
P1 P 0.34212(5) 0.92867(6) 0.35155(3) 0.01245(15) Uani 1 1 d . . . . .
P2 P 0.16446(5) 0.68967(6) 0.30504(3) 0.01297(15) Uani 1 1 d . . . . .
N1 N 0.41052(16) 0.92435(19) 0.31568(10) 0.0142(5) Uani 1 1 d . . . . .
N2 N 0.52736(18) 0.7115(2) 0.35322(10) 0.0191(6) Uani 1 1 d . . . . .
N3 N 0.40933(17) 0.5817(2) 0.30665(10) 0.0209(6) Uani 1 1 d . . . . .
N4 N 0.19862(16) 0.6461(2) 0.25837(9) 0.0150(5) Uani 1 1 d . . . . .
N5 N 0.06849(16) 0.7217(2) 0.27725(10) 0.0150(5) Uani 1 1 d . . . . .
N6 N 0.08606(17) 0.8091(2) 0.36914(10) 0.0160(5) Uani 1 1 d . . . . .
N7 N 0.19251(16) 0.9554(2) 0.39472(9) 0.0147(5) Uani 1 1 d . . . . .
N8 N 0.30333(16) 1.03952(19) 0.33702(9) 0.0133(5) Uani 1 1 d . . . . .
N9 N 0.39506(17) 0.92662(19) 0.40337(9) 0.0150(5) Uani 1 1 d . . . . .
N10 N 0.16141(17) 0.6002(2) 0.33931(10) 0.0162(5) Uani 1 1 d . . . . .
C1 C 0.46890(19) 0.8522(2) 0.31780(11) 0.0145(6) Uani 1 1 d . . . . .
C2 C 0.4654(2) 0.7654(2) 0.34278(11) 0.0157(6) Uani 1 1 d . . . . .
H2 H 0.4159 0.7481 0.3517 0.019 Uiso 1 1 calc R U . . .
C3 C 0.5143(2) 0.6226(2) 0.37261(12) 0.0172(6) Uani 1 1 d . . . . .
C4 C 0.5622(2) 0.5960(3) 0.41394(12) 0.0210(7) Uani 1 1 d . . . . .
H4 H 0.6035 0.6377 0.4285 0.025 Uiso 1 1 calc R U . . .
C5 C 0.5515(2) 0.5100(3) 0.43457(13) 0.0242(8) Uani 1 1 d . . . . .
C6 C 0.4924(2) 0.4472(3) 0.41262(14) 0.0262(8) Uani 1 1 d . . . . .
C7 C 0.4464(2) 0.4724(3) 0.37071(13) 0.0228(7) Uani 1 1 d . . . . .
H7 H 0.4074 0.4289 0.3553 0.027 Uiso 1 1 calc R U . . .
C8 C 0.4555(2) 0.5596(2) 0.35047(12) 0.0176(7) Uani 1 1 d . . . . .
C9 C 0.3345(2) 0.5970(2) 0.30413(11) 0.0171(6) Uani 1 1 d . . . . .
H9 H 0.3130 0.5961 0.3313 0.020 Uiso 1 1 calc R U . . .
C10 C 0.2802(2) 0.6161(2) 0.26133(12) 0.0176(6) Uani 1 1 d . . . . .
C11 C 0.2931(2) 0.6039(3) 0.21799(13) 0.0267(8) Uani 1 1 d . . . . .
H11 H 0.3424 0.5836 0.2098 0.032 Uiso 1 1 calc R U . . .
C12 C 0.2207(2) 0.6267(3) 0.18755(13) 0.0308(9) Uani 1 1 d . . . . .
H12 H 0.2128 0.6246 0.1553 0.037 Uiso 1 1 calc R U . . .
C13 C 0.1636(2) 0.6525(3) 0.21266(12) 0.0186(7) Uani 1 1 d . . . . .
C14 C 0.0809(2) 0.6932(2) 0.19486(12) 0.0181(6) Uani 1 1 d . . . . .
C15 C 0.0325(2) 0.7043(2) 0.23190(12) 0.0167(6) Uani 1 1 d . . . . .
C16 C -0.0500(2) 0.7149(3) 0.22739(13) 0.0220(7) Uani 1 1 d . . . . .
H16 H -0.0890 0.7067 0.2001 0.026 Uiso 1 1 calc R U . . .
C17 C -0.0668(2) 0.7401(3) 0.27002(13) 0.0227(7) Uani 1 1 d . . . . .
H17 H -0.1193 0.7510 0.2767 0.027 Uiso 1 1 calc R U . . .
C18 C 0.0059(2) 0.7462(2) 0.30058(12) 0.0174(6) Uani 1 1 d . . . . .
C19 C 0.0169(2) 0.7856(2) 0.34557(12) 0.0181(7) Uani 1 1 d . . . . .
H19 H -0.0299 0.7949 0.3586 0.022 Uiso 1 1 calc R U . . .
C20 C 0.09013(19) 0.8488(2) 0.41251(11) 0.0155(6) Uani 1 1 d . . . . .
C21 C 0.0430(2) 0.8169(3) 0.44361(12) 0.0198(7) Uani 1 1 d . . . . .
H21 H 0.0058 0.7666 0.4348 0.024 Uiso 1 1 calc R U . . .
C22 C 0.0487(2) 0.8557(3) 0.48650(12) 0.0227(7) Uani 1 1 d . . . . .
C23 C 0.1018(2) 0.9322(3) 0.49916(12) 0.0212(7) Uani 1 1 d . . . . .
C24 C 0.1479(2) 0.9654(2) 0.46831(11) 0.0181(6) Uani 1 1 d . . . . .
H24 H 0.1833 1.0175 0.4767 0.022 Uiso 1 1 calc R U . . .
C25 C 0.14352(19) 0.9245(2) 0.42559(11) 0.0152(6) Uani 1 1 d . . . . .
C26 C 0.20136(19) 1.0450(2) 0.39008(11) 0.0158(6) Uani 1 1 d . . . . .
H26 H 0.1731 1.0860 0.4068 0.019 Uiso 1 1 calc R U . . .
C27 C 0.25108(19) 1.0869(2) 0.36135(11) 0.0154(6) Uani 1 1 d . . . . .
C28 C 0.2484(2) 1.1802(2) 0.34848(12) 0.0190(7) Uani 1 1 d . . . . .
H28 H 0.2185 1.2285 0.3600 0.023 Uiso 1 1 calc R U . . .
C29 C 0.2971(2) 1.1923(2) 0.31556(13) 0.0202(7) Uani 1 1 d . . . . .
H29 H 0.3053 1.2497 0.3007 0.024 Uiso 1 1 calc R U . . .
C30 C 0.33072(19) 1.1061(2) 0.30873(11) 0.0161(6) Uani 1 1 d . . . . .
C31 C 0.3757(2) 1.0770(2) 0.27230(11) 0.0159(6) Uani 1 1 d . . . . .
C32 C 0.43112(19) 0.9956(2) 0.28751(11) 0.0150(6) Uani 1 1 d . . . . .
C33 C 0.5003(2) 0.9681(3) 0.27275(12) 0.0188(7) Uani 1 1 d . . . . .
H33 H 0.5277 1.0031 0.2531 0.023 Uiso 1 1 calc R U . . .
C34 C 0.5237(2) 0.8790(2) 0.29179(12) 0.0183(7) Uani 1 1 d . . . . .
H34 H 0.5697 0.8436 0.2873 0.022 Uiso 1 1 calc R U . . .
C35 C 0.6041(3) 0.4857(3) 0.48013(15) 0.0371(10) Uani 1 1 d . . . . .
H35A H 0.6363 0.4293 0.4769 0.056 Uiso 1 1 calc R U . . .
H35B H 0.5693 0.4734 0.5024 0.056 Uiso 1 1 calc R U . . .
H35C H 0.6405 0.5386 0.4906 0.056 Uiso 1 1 calc R U . . .
C36 C 0.4777(3) 0.3531(3) 0.43335(17) 0.0418(11) Uani 1 1 d . . . . .
H36A H 0.4343 0.3195 0.4130 0.063 Uiso 1 1 calc R U . . .
H36B H 0.4617 0.3633 0.4628 0.063 Uiso 1 1 calc R U . . .
H36C H 0.5276 0.3155 0.4377 0.063 Uiso 1 1 calc R U . . .
C37 C 0.0924(2) 0.7928(3) 0.17468(13) 0.0229(7) Uani 1 1 d . . . . .
H37A H 0.1186 0.7848 0.1479 0.028 Uiso 1 1 calc R U . . .
H37B H 0.0381 0.8208 0.1638 0.028 Uiso 1 1 calc R U . . .
C38 C 0.1428(2) 0.8622(3) 0.20731(15) 0.0303(9) Uani 1 1 d . . . . .
H38A H 0.1964 0.8348 0.2191 0.046 Uiso 1 1 calc R U . . .
H38B H 0.1152 0.8753 0.2327 0.046 Uiso 1 1 calc R U . . .
H38C H 0.1494 0.9210 0.1912 0.046 Uiso 1 1 calc R U . . .
C39 C 0.0348(2) 0.6320(3) 0.15552(12) 0.0234(7) Uani 1 1 d . . . . .
H39A H -0.0175 0.6632 0.1431 0.028 Uiso 1 1 calc R U . . .
H39B H 0.0669 0.6306 0.1310 0.028 Uiso 1 1 calc R U . . .
C40 C 0.0173(3) 0.5305(3) 0.16748(15) 0.0322(9) Uani 1 1 d . . . . .
H40A H -0.0072 0.4965 0.1397 0.048 Uiso 1 1 calc R U . . .
H40B H -0.0204 0.5303 0.1889 0.048 Uiso 1 1 calc R U . . .
H40C H 0.0681 0.4995 0.1816 0.048 Uiso 1 1 calc R U . . .
C41 C -0.0018(3) 0.8163(3) 0.51873(15) 0.0348(10) Uani 1 1 d . . . . .
H41A H -0.0375 0.8657 0.5267 0.052 Uiso 1 1 calc R U . . .
H41B H 0.0341 0.7936 0.5464 0.052 Uiso 1 1 calc R U . . .
H41C H -0.0348 0.7637 0.5041 0.052 Uiso 1 1 calc R U . . .
C42 C 0.1120(3) 0.9759(3) 0.54580(13) 0.0329(9) Uani 1 1 d . . . . .
H42A H 0.1461 1.0324 0.5470 0.049 Uiso 1 1 calc R U . . .
H42B H 0.1379 0.9304 0.5687 0.049 Uiso 1 1 calc R U . . .
H42C H 0.0586 0.9934 0.5520 0.049 Uiso 1 1 calc R U . . .
C43 C 0.4237(2) 1.1614(3) 0.25828(13) 0.0215(7) Uani 1 1 d . . . . .
H43A H 0.4510 1.1410 0.2334 0.026 Uiso 1 1 calc R U . . .
H43B H 0.3846 1.2118 0.2461 0.026 Uiso 1 1 calc R U . . .
C44 C 0.4874(2) 1.2030(3) 0.29642(14) 0.0264(8) Uani 1 1 d . . . . .
H44A H 0.5185 1.2516 0.2839 0.040 Uiso 1 1 calc R U . . .
H44B H 0.5242 1.1529 0.3103 0.040 Uiso 1 1 calc R U . . .
H44C H 0.4604 1.2312 0.3195 0.040 Uiso 1 1 calc R U . . .
C45 C 0.3090(2) 1.0446(3) 0.23141(12) 0.0231(7) Uani 1 1 d . . . . .
H45A H 0.2760 0.9949 0.2424 0.028 Uiso 1 1 calc R U . . .
H45B H 0.2726 1.0989 0.2217 0.028 Uiso 1 1 calc R U . . .
C46 C 0.3388(3) 1.0071(4) 0.19004(15) 0.0404(11) Uani 1 1 d . . . . .
H46A H 0.2922 0.9897 0.1664 0.061 Uiso 1 1 calc R U . . .
H46B H 0.3729 0.9514 0.1987 0.061 Uiso 1 1 calc R U . . .
H46C H 0.3707 1.0559 0.1782 0.061 Uiso 1 1 calc R U . . .
C47 C 0.4672(2) 0.9890(3) 0.42121(16) 0.0289(9) Uani 1 1 d . . . . .
H47 H 0.4811 0.9712 0.4541 0.035 Uiso 1 1 calc R U . . .
C48 C 0.4470(2) 1.0918(3) 0.42297(14) 0.0254(8) Uani 1 1 d . . . . .
H48A H 0.4307 1.1161 0.3919 0.038 Uiso 1 1 calc R U . . .
H48B H 0.4949 1.1263 0.4386 0.038 Uiso 1 1 calc R U . . .
H48C H 0.4023 1.1001 0.4395 0.038 Uiso 1 1 calc R U . . .
C49 C 0.5432(3) 0.9685(4) 0.40476(19) 0.0453(13) Uani 1 1 d . . . . .
H49A H 0.5541 0.9005 0.4068 0.068 Uiso 1 1 calc R U . . .
H49B H 0.5884 1.0025 0.4235 0.068 Uiso 1 1 calc R U . . .
H49C H 0.5375 0.9889 0.3730 0.068 Uiso 1 1 calc R U . . .
C50 C 0.3669(2) 0.8663(2) 0.43813(11) 0.0183(7) Uani 1 1 d . . . . .
H50 H 0.3135 0.8387 0.4234 0.022 Uiso 1 1 calc R U . . .
C51 C 0.4244(3) 0.7836(3) 0.45360(15) 0.0313(9) Uani 1 1 d . . . . .
H51A H 0.4260 0.7418 0.4277 0.047 Uiso 1 1 calc R U . . .
H51B H 0.4050 0.7483 0.4776 0.047 Uiso 1 1 calc R U . . .
H51C H 0.4791 0.8078 0.4654 0.047 Uiso 1 1 calc R U . . .
C52 C 0.3521(2) 0.9234(3) 0.47886(12) 0.0273(8) Uani 1 1 d . . . . .
H52A H 0.4044 0.9412 0.4977 0.041 Uiso 1 1 calc R U . . .
H52B H 0.3212 0.8854 0.4969 0.041 Uiso 1 1 calc R U . . .
H52C H 0.3214 0.9805 0.4682 0.041 Uiso 1 1 calc R U . . .
C53 C 0.1840(2) 0.6173(3) 0.38967(12) 0.0206(7) Uani 1 1 d . . . . .
H53 H 0.1982 0.6856 0.3942 0.025 Uiso 1 1 calc R U . . .
C54 C 0.2579(2) 0.5605(3) 0.41235(13) 0.0291(9) Uani 1 1 d . . . . .
H54A H 0.2469 0.4930 0.4072 0.044 Uiso 1 1 calc R U . . .
H54B H 0.2691 0.5733 0.4451 0.044 Uiso 1 1 calc R U . . .
H54C H 0.3050 0.5786 0.3993 0.044 Uiso 1 1 calc R U . . .
C55 C 0.1129(2) 0.5977(3) 0.41356(14) 0.0270(8) Uani 1 1 d . . . . .
H55A H 0.0630 0.6244 0.3956 0.040 Uiso 1 1 calc R U . . .
H55B H 0.1237 0.6268 0.4438 0.040 Uiso 1 1 calc R U . . .
H55C H 0.1064 0.5295 0.4166 0.040 Uiso 1 1 calc R U . . .
C56 C 0.1284(2) 0.5034(2) 0.32611(14) 0.0231(7) Uani 1 1 d . . . . .
H56 H 0.1237 0.4721 0.3554 0.028 Uiso 1 1 calc R U . . .
C57 C 0.1846(3) 0.4415(3) 0.30550(19) 0.0417(12) Uani 1 1 d . . . . .
H57A H 0.1641 0.3766 0.3035 0.063 Uiso 1 1 calc R U . . .
H57B H 0.2390 0.4431 0.3246 0.063 Uiso 1 1 calc R U . . .
H57C H 0.1874 0.4645 0.2749 0.063 Uiso 1 1 calc R U . . .
C58 C 0.0437(3) 0.5044(3) 0.29854(19) 0.0421(12) Uani 1 1 d . . . . .
H58A H 0.0450 0.5264 0.2676 0.063 Uiso 1 1 calc R U . . .
H58B H 0.0097 0.5468 0.3128 0.063 Uiso 1 1 calc R U . . .
H58C H 0.0211 0.4404 0.2972 0.063 Uiso 1 1 calc R U . . .
Au2 Au 0.22041(2) 0.26133(2) 0.46196(2) 0.02933(4) Uani 1 1 d . . . . .
Cl1 Cl 0.32500(9) 0.19805(12) 0.51157(5) 0.0594(4) Uani 1 1 d . . . . .
Cl2 Cl 0.11469(7) 0.32015(7) 0.41078(4) 0.0351(2) Uani 1 1 d . . . . .
O1A O 0.2472(3) 0.2169(4) 0.69400(18) 0.0522(10) Uani 0.752(3) 1 d D U P A 1
C59A C 0.2314(6) 0.2604(6) 0.6537(3) 0.0563(14) Uani 0.752(3) 1 d D U P A 1
H59A H 0.2741 0.3075 0.6516 0.068 Uiso 0.752(3) 1 calc R U P A 1
H59B H 0.1784 0.2933 0.6496 0.068 Uiso 0.752(3) 1 calc R U P A 1
C60A C 0.2294(5) 0.1835(5) 0.6164(2) 0.0562(13) Uani 0.752(3) 1 d D U P A 1
H60A H 0.2613 0.2039 0.5934 0.067 Uiso 0.752(3) 1 calc R U P A 1
H60B H 0.1728 0.1709 0.6008 0.067 Uiso 0.752(3) 1 calc R U P A 1
C61A C 0.2677(5) 0.0937(5) 0.6420(3) 0.0473(13) Uani 0.752(3) 1 d D U P A 1
H61A H 0.3266 0.0884 0.6421 0.057 Uiso 0.752(3) 1 calc R U P A 1
H61B H 0.2396 0.0351 0.6297 0.057 Uiso 0.752(3) 1 calc R U P A 1
C62A C 0.2495(4) 0.1205(5) 0.6896(3) 0.0477(12) Uani 0.752(3) 1 d D U P A 1
H62A H 0.1967 0.0932 0.6931 0.057 Uiso 0.752(3) 1 calc R U P A 1
H62B H 0.2922 0.0941 0.7138 0.057 Uiso 0.752(3) 1 calc R U P A 1
Cl5B Cl 0.1961(9) 0.2973(9) 0.6239(5) 0.083(3) Uiso 0.142(2) 1 d D U P B 2
Cl6B Cl 0.2504(9) 0.1086(9) 0.6554(5) 0.063(2) Uiso 0.142(2) 1 d D U P B 2
C64B C 0.2792(19) 0.2040(19) 0.6242(14) 0.0508(18) Uiso 0.142(2) 1 d D U P B 2
H64C H 0.2820 0.1844 0.5927 0.061 Uiso 0.142(2) 1 calc R U P B 2
H64D H 0.3329 0.2289 0.6390 0.061 Uiso 0.142(2) 1 calc R U P B 2
Cl5C Cl 0.2857(8) 0.0631(9) 0.6229(5) 0.055(3) Uiso 0.106(2) 1 d D U P C 3
Cl6C Cl 0.2615(10) 0.2556(10) 0.6495(6) 0.058(3) Uiso 0.106(2) 1 d D U P C 3
C64C C 0.241(4) 0.1392(18) 0.6652(16) 0.0516(19) Uiso 0.106(2) 1 d D U P C 3
H64E H 0.1820 0.1285 0.6621 0.062 Uiso 0.106(2) 1 calc R U P C 3
H64F H 0.2681 0.1257 0.6969 0.062 Uiso 0.106(2) 1 calc R U P C 3
O3A O 0.0784(7) 0.5360(8) 0.5721(5) 0.109(2) Uani 0.593(6) 1 d D U P D 1
C67A C 0.1126(10) 0.5557(11) 0.5284(5) 0.105(2) Uani 0.593(6) 1 d D U P D 1
H67A H 0.0680 0.5659 0.5020 0.126 Uiso 0.593(6) 1 calc R U P D 1
H67B H 0.1481 0.6121 0.5324 0.126 Uiso 0.593(6) 1 calc R U P D 1
C68A C 0.1571(10) 0.4744(11) 0.5223(5) 0.106(2) Uani 0.593(6) 1 d D U P D 1
H68A H 0.2137 0.4932 0.5214 0.127 Uiso 0.593(6) 1 calc R U P D 1
H68B H 0.1337 0.4464 0.4923 0.127 Uiso 0.593(6) 1 calc R U P D 1
C69A C 0.1589(10) 0.3986(11) 0.5591(6) 0.105(2) Uani 0.593(6) 1 d D U P D 1
H69A H 0.1448 0.3358 0.5454 0.126 Uiso 0.593(6) 1 calc R U P D 1
H69B H 0.2130 0.3952 0.5792 0.126 Uiso 0.593(6) 1 calc R U P D 1
C70A C 0.1018(11) 0.4286(11) 0.5823(6) 0.110(2) Uani 0.593(6) 1 d D U P D 1
H70A H 0.1224 0.4206 0.6153 0.132 Uiso 0.593(6) 1 calc R U P D 1
H70B H 0.0525 0.3892 0.5738 0.132 Uiso 0.593(6) 1 calc R U P D 1
O3B O 0.0918(9) 0.4872(13) 0.6005(5) 0.112(2) Uiso 0.407(6) 1 d D U P D 2
C67B C 0.1771(10) 0.5295(15) 0.5963(7) 0.105(2) Uiso 0.407(6) 1 d D U P D 2
H67C H 0.1724 0.5957 0.5854 0.126 Uiso 0.407(6) 1 calc R U P D 2
H67D H 0.2161 0.5263 0.6256 0.126 Uiso 0.407(6) 1 calc R U P D 2
C68B C 0.1996(11) 0.4676(17) 0.5632(7) 0.108(2) Uiso 0.407(6) 1 d D U P D 2
H68C H 0.2291 0.4125 0.5785 0.130 Uiso 0.407(6) 1 calc R U P D 2
H68D H 0.2362 0.5009 0.5461 0.130 Uiso 0.407(6) 1 calc R U P D 2
C69B C 0.1225(12) 0.4340(19) 0.5299(7) 0.108(2) Uiso 0.407(6) 1 d D U P D 2
H69C H 0.1225 0.4565 0.4986 0.130 Uiso 0.407(6) 1 calc R U P D 2
H69D H 0.1186 0.3643 0.5296 0.130 Uiso 0.407(6) 1 calc R U P D 2
C70B C 0.0605(11) 0.4733(19) 0.5468(6) 0.109(2) Uiso 0.407(6) 1 d D U P D 2
H70C H 0.0124 0.4314 0.5411 0.131 Uiso 0.407(6) 1 calc R U P D 2
H70D H 0.0452 0.5349 0.5320 0.131 Uiso 0.407(6) 1 calc R U P D 2
O2A O 0.2613(4) 0.8215(5) 0.5765(2) 0.0665(14) Uani 0.643(3) 1 d D U P E 1
C63A C 0.3375(6) 0.8152(8) 0.6000(4) 0.0502(16) Uani 0.643(3) 1 d D U P E 1
H63A H 0.3495 0.8668 0.6226 0.060 Uiso 0.643(3) 1 calc R U P E 1
H63B H 0.3773 0.8174 0.5795 0.060 Uiso 0.643(3) 1 calc R U P E 1
C64A C 0.3391(5) 0.7165(6) 0.6242(3) 0.0572(15) Uani 0.643(3) 1 d D U P E 1
H64A H 0.3911 0.6836 0.6240 0.069 Uiso 0.643(3) 1 calc R U P E 1
H64B H 0.3320 0.7240 0.6561 0.069 Uiso 0.643(3) 1 calc R U P E 1
C65A C 0.2676(6) 0.6612(7) 0.5963(3) 0.0596(16) Uani 0.643(3) 1 d D U P E 1
H65A H 0.2267 0.6449 0.6149 0.072 Uiso 0.643(3) 1 calc R U P E 1
H65B H 0.2863 0.6029 0.5833 0.072 Uiso 0.643(3) 1 calc R U P E 1
C66A C 0.2335(6) 0.7343(6) 0.5583(3) 0.0615(16) Uani 0.643(3) 1 d D U P E 1
H66A H 0.2542 0.7210 0.5301 0.074 Uiso 0.643(3) 1 calc R U P E 1
H66B H 0.1734 0.7326 0.5513 0.074 Uiso 0.643(3) 1 calc R U P E 1
Cl3B Cl 0.3480(5) 0.7983(5) 0.6061(3) 0.0632(17) Uiso 0.283(3) 1 d D U P F 2
Cl4B Cl 0.2284(4) 0.7217(5) 0.5340(2) 0.0710(17) Uiso 0.283(3) 1 d D U P F 2
C63B C 0.2837(14) 0.6891(15) 0.5883(8) 0.060(2) Uiso 0.283(3) 1 d D U P F 2
H63C H 0.3181 0.6331 0.5863 0.072 Uiso 0.283(3) 1 calc R U P F 2
H63D H 0.2469 0.6758 0.6098 0.072 Uiso 0.283(3) 1 calc R U P F 2
Cl7B Cl 0.0630(17) 0.5482(18) 0.5427(11) 0.082(7) Uiso 0.074(2) 1 d D U P G 3
Cl8B Cl 0.1054(19) 0.3733(19) 0.5922(11) 0.093(8) Uiso 0.074(2) 1 d D U P G 3
C67C C 0.142(4) 0.490(4) 0.589(3) 0.088(11) Uiso 0.074(2) 1 d D U P G 3
H67E H 0.1964 0.4901 0.5810 0.105 Uiso 0.074(2) 1 calc R U P G 3
H67F H 0.1452 0.5230 0.6188 0.105 Uiso 0.074(2) 1 calc R U P G 3
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'
Au Au -2.0133 8.8022 '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'
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
P2 Au1 P1 165.06(3) . . ?
N9 P1 N1 106.61(14) . . ?
N9 P1 N8 111.48(14) . . ?
N1 P1 N8 98.04(13) . . ?
N9 P1 Au1 115.16(11) . . ?
N1 P1 Au1 112.47(10) . . ?
N8 P1 Au1 111.68(9) . . ?
N10 P2 N4 106.54(15) . . ?
N10 P2 N5 111.60(14) . . ?
N4 P2 N5 97.31(13) . . ?
N10 P2 Au1 115.65(10) . . ?
N4 P2 Au1 109.92(10) . . ?
N5 P2 Au1 113.97(10) . . ?
C32 N1 C1 107.6(3) . . ?
C32 N1 P1 128.5(2) . . ?
C1 N1 P1 122.7(2) . . ?
C2 N2 C3 116.6(3) . . ?
C9 N3 C8 117.0(3) . . ?
C13 N4 C10 107.7(3) . . ?
C13 N4 P2 129.3(2) . . ?
C10 N4 P2 121.5(2) . . ?
C15 N5 C18 107.4(3) . . ?
C15 N5 P2 127.7(2) . . ?
C18 N5 P2 122.7(2) . . ?
C19 N6 C20 119.5(3) . . ?
C26 N7 C25 117.9(3) . . ?
C30 N8 C27 107.3(3) . . ?
C30 N8 P1 127.9(2) . . ?
C27 N8 P1 123.0(2) . . ?
C50 N9 C47 115.3(3) . . ?
C50 N9 P1 119.0(2) . . ?
C47 N9 P1 125.4(3) . . ?
C53 N10 C56 114.9(3) . . ?
C53 N10 P2 118.1(2) . . ?
C56 N10 P2 126.6(2) . . ?
C34 C1 N1 108.1(3) . . ?
C34 C1 C2 128.9(3) . . ?
N1 C1 C2 123.0(3) . . ?
N2 C2 C1 121.6(3) . . ?
N2 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C4 C3 C8 118.9(3) . . ?
C4 C3 N2 119.7(3) . . ?
C8 C3 N2 121.4(3) . . ?
C5 C4 C3 122.0(3) . . ?
C5 C4 H4 119.0 . . ?
C3 C4 H4 119.0 . . ?
C4 C5 C6 119.2(3) . . ?
C4 C5 C35 119.7(4) . . ?
C6 C5 C35 121.1(4) . . ?
C7 C6 C5 118.9(3) . . ?
C7 C6 C36 119.5(4) . . ?
C5 C6 C36 121.7(4) . . ?
C6 C7 C8 122.1(4) . . ?
C6 C7 H7 119.0 . . ?
C8 C7 H7 119.0 . . ?
C7 C8 C3 119.0(3) . . ?
C7 C8 N3 120.5(3) . . ?
C3 C8 N3 120.4(3) . . ?
N3 C9 C10 122.5(3) . . ?
N3 C9 H9 118.8 . . ?
C10 C9 H9 118.8 . . ?
C11 C10 N4 107.7(3) . . ?
C11 C10 C9 129.0(3) . . ?
N4 C10 C9 123.2(3) . . ?
C10 C11 C12 108.2(3) . . ?
C10 C11 H11 125.9 . . ?
C12 C11 H11 125.9 . . ?
C13 C12 C11 108.2(3) . . ?
C13 C12 H12 125.9 . . ?
C11 C12 H12 125.9 . . ?
C12 C13 N4 108.2(3) . . ?
C12 C13 C14 126.9(3) . . ?
N4 C13 C14 124.4(3) . . ?
C15 C14 C13 111.7(3) . . ?
C15 C14 C39 111.1(3) . . ?
C13 C14 C39 110.3(3) . . ?
C15 C14 C37 108.4(3) . . ?
C13 C14 C37 108.0(3) . . ?
C39 C14 C37 107.1(3) . . ?
C16 C15 N5 108.5(3) . . ?
C16 C15 C14 127.9(3) . . ?
N5 C15 C14 122.8(3) . . ?
C15 C16 C17 108.1(3) . . ?
C15 C16 H16 125.9 . . ?
C17 C16 H16 125.9 . . ?
C18 C17 C16 108.2(3) . . ?
C18 C17 H17 125.9 . . ?
C16 C17 H17 125.9 . . ?
C17 C18 N5 107.7(3) . . ?
C17 C18 C19 125.8(3) . . ?
N5 C18 C19 125.8(3) . . ?
N6 C19 C18 123.9(3) . . ?
N6 C19 H19 118.0 . . ?
C18 C19 H19 118.0 . . ?
C25 C20 N6 118.7(3) . . ?
C25 C20 C21 118.1(3) . . ?
N6 C20 C21 123.2(3) . . ?
C22 C21 C20 122.6(3) . . ?
C22 C21 H21 118.7 . . ?
C20 C21 H21 118.7 . . ?
C21 C22 C23 118.9(3) . . ?
C21 C22 C41 119.9(4) . . ?
C23 C22 C41 121.1(3) . . ?
C24 C23 C22 118.9(3) . . ?
C24 C23 C42 119.7(3) . . ?
C22 C23 C42 121.3(3) . . ?
C25 C24 C23 121.9(3) . . ?
C25 C24 H24 119.0 . . ?
C23 C24 H24 119.0 . . ?
C24 C25 C20 119.5(3) . . ?
C24 C25 N7 122.3(3) . . ?
C20 C25 N7 118.2(3) . . ?
N7 C26 C27 124.4(3) . . ?
N7 C26 H26 117.8 . . ?
C27 C26 H26 117.8 . . ?
C28 C27 N8 107.7(3) . . ?
C28 C27 C26 125.0(3) . . ?
N8 C27 C26 126.9(3) . . ?
C27 C28 C29 108.7(3) . . ?
C27 C28 H28 125.7 . . ?
C29 C28 H28 125.7 . . ?
C30 C29 C28 107.8(3) . . ?
C30 C29 H29 126.1 . . ?
C28 C29 H29 126.1 . . ?
C29 C30 N8 108.5(3) . . ?
C29 C30 C31 129.1(3) . . ?
N8 C30 C31 121.5(3) . . ?
C30 C31 C32 111.1(3) . . ?
C30 C31 C43 110.2(3) . . ?
C32 C31 C43 110.8(3) . . ?
C30 C31 C45 105.4(3) . . ?
C32 C31 C45 108.8(3) . . ?
C43 C31 C45 110.3(3) . . ?
C33 C32 N1 108.0(3) . . ?
C33 C32 C31 129.4(3) . . ?
N1 C32 C31 122.0(3) . . ?
C32 C33 C34 108.1(3) . . ?
C32 C33 H33 125.9 . . ?
C34 C33 H33 125.9 . . ?
C1 C34 C33 108.2(3) . . ?
C1 C34 H34 125.9 . . ?
C33 C34 H34 125.9 . . ?
C5 C35 H35A 109.5 . . ?
C5 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C5 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C6 C36 H36A 109.5 . . ?
C6 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C6 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C14 115.5(3) . . ?
C38 C37 H37A 108.4 . . ?
C14 C37 H37A 108.4 . . ?
C38 C37 H37B 108.4 . . ?
C14 C37 H37B 108.4 . . ?
H37A C37 H37B 107.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 C14 116.2(3) . . ?
C40 C39 H39A 108.2 . . ?
C14 C39 H39A 108.2 . . ?
C40 C39 H39B 108.2 . . ?
C14 C39 H39B 108.2 . . ?
H39A C39 H39B 107.4 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C22 C41 H41A 109.5 . . ?
C22 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C22 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C23 C42 H42A 109.5 . . ?
C23 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C23 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C31 115.0(3) . . ?
C44 C43 H43A 108.5 . . ?
C31 C43 H43A 108.5 . . ?
C44 C43 H43B 108.5 . . ?
C31 C43 H43B 108.5 . . ?
H43A C43 H43B 107.5 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C31 116.3(3) . . ?
C46 C45 H45A 108.2 . . ?
C31 C45 H45A 108.2 . . ?
C46 C45 H45B 108.2 . . ?
C31 C45 H45B 108.2 . . ?
H45A C45 H45B 107.4 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C49 C47 C48 114.6(4) . . ?
C49 C47 N9 116.8(3) . . ?
C48 C47 N9 114.2(3) . . ?
C49 C47 H47 102.9 . . ?
C48 C47 H47 102.9 . . ?
N9 C47 H47 102.9 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N9 C50 C52 112.0(3) . . ?
N9 C50 C51 112.6(3) . . ?
C52 C50 C51 110.7(3) . . ?
N9 C50 H50 107.0 . . ?
C52 C50 H50 107.0 . . ?
C51 C50 H50 107.0 . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N10 C53 C54 113.0(3) . . ?
N10 C53 C55 111.7(3) . . ?
C54 C53 C55 109.7(3) . . ?
N10 C53 H53 107.4 . . ?
C54 C53 H53 107.4 . . ?
C55 C53 H53 107.4 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C58 C56 C57 112.4(4) . . ?
C58 C56 N10 113.5(3) . . ?
C57 C56 N10 114.3(3) . . ?
C58 C56 H56 105.1 . . ?
C57 C56 H56 105.1 . . ?
N10 C56 H56 105.1 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C56 C58 H58A 109.5 . . ?
C56 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C56 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
Cl1 Au2 Cl2 178.03(5) . . ?
C59A O1A C62A 112.1(6) . . ?
O1A C59A C60A 107.4(6) . . ?
O1A C59A H59A 110.2 . . ?
C60A C59A H59A 110.2 . . ?
O1A C59A H59B 110.2 . . ?
C60A C59A H59B 110.2 . . ?
H59A C59A H59B 108.5 . . ?
C59A C60A C61A 105.6(6) . . ?
C59A C60A H60A 110.6 . . ?
C61A C60A H60A 110.6 . . ?
C59A C60A H60B 110.6 . . ?
C61A C60A H60B 110.6 . . ?
H60A C60A H60B 108.7 . . ?
C60A C61A C62A 96.7(6) . . ?
C60A C61A H61A 112.4 . . ?
C62A C61A H61A 112.4 . . ?
C60A C61A H61B 112.4 . . ?
C62A C61A H61B 112.4 . . ?
H61A C61A H61B 110.0 . . ?
O1A C62A C61A 110.1(6) . . ?
O1A C62A H62A 109.6 . . ?
C61A C62A H62A 109.6 . . ?
O1A C62A H62B 109.6 . . ?
C61A C62A H62B 109.6 . . ?
H62A C62A H62B 108.2 . . ?
Cl6B C64B Cl5B 105.0(13) . . ?
Cl6B C64B H64C 110.7 . . ?
Cl5B C64B H64C 110.7 . . ?
Cl6B C64B H64D 110.7 . . ?
Cl5B C64B H64D 110.7 . . ?
H64C C64B H64D 108.8 . . ?
Cl6C C64C Cl5C 103.4(13) . . ?
Cl6C C64C H64E 111.1 . . ?
Cl5C C64C H64E 111.1 . . ?
Cl6C C64C H64F 111.1 . . ?
Cl5C C64C H64F 111.1 . . ?
H64E C64C H64F 109.0 . . ?
C67A O3A C70A 102.6(10) . . ?
C68A C67A O3A 104.7(11) . . ?
C68A C67A H67A 110.8 . . ?
O3A C67A H67A 110.8 . . ?
C68A C67A H67B 110.8 . . ?
O3A C67A H67B 110.8 . . ?
H67A C67A H67B 108.9 . . ?
C67A C68A C69A 114.7(12) . . ?
C67A C68A H68A 108.6 . . ?
C69A C68A H68A 108.6 . . ?
C67A C68A H68B 108.6 . . ?
C69A C68A H68B 108.6 . . ?
H68A C68A H68B 107.6 . . ?
C70A C69A C68A 103.2(12) . . ?
C70A C69A H69A 111.1 . . ?
C68A C69A H69A 111.1 . . ?
C70A C69A H69B 111.1 . . ?
C68A C69A H69B 111.1 . . ?
H69A C69A H69B 109.1 . . ?
C69A C70A O3A 112.1(12) . . ?
C69A C70A H70A 109.2 . . ?
O3A C70A H70A 109.2 . . ?
C69A C70A H70B 109.2 . . ?
O3A C70A H70B 109.2 . . ?
H70A C70A H70B 107.9 . . ?
C67B O3B C70B 95.5(12) . . ?
C68B C67B O3B 100.6(12) . . ?
C68B C67B H67C 111.6 . . ?
O3B C67B H67C 111.6 . . ?
C68B C67B H67D 111.7 . . ?
O3B C67B H67D 111.7 . . ?
H67C C67B H67D 109.4 . . ?
C67B C68B C69B 109.7(13) . . ?
C67B C68B H68C 109.7 . . ?
C69B C68B H68C 109.7 . . ?
C67B C68B H68D 109.7 . . ?
C69B C68B H68D 109.7 . . ?
H68C C68B H68D 108.2 . . ?
C70B C69B C68B 103.8(14) . . ?
C70B C69B H69C 111.0 . . ?
C68B C69B H69C 111.0 . . ?
C70B C69B H69D 111.0 . . ?
C68B C69B H69D 111.0 . . ?
H69C C69B H69D 109.0 . . ?
C69B C70B O3B 107.2(13) . . ?
C69B C70B H70C 110.3 . . ?
O3B C70B H70C 110.3 . . ?
C69B C70B H70D 110.3 . . ?
O3B C70B H70D 110.3 . . ?
H70C C70B H70D 108.5 . . ?
C63A O2A C66A 111.1(7) . . ?
O2A C63A C64A 103.4(7) . . ?
O2A C63A H63A 111.1 . . ?
C64A C63A H63A 111.1 . . ?
O2A C63A H63B 111.1 . . ?
C64A C63A H63B 111.1 . . ?
H63A C63A H63B 109.0 . . ?
C65A C64A C63A 105.1(7) . . ?
C65A C64A H64A 110.7 . . ?
C63A C64A H64A 110.7 . . ?
C65A C64A H64B 110.7 . . ?
C63A C64A H64B 110.7 . . ?
H64A C64A H64B 108.8 . . ?
C64A C65A C66A 101.4(6) . . ?
C64A C65A H65A 111.5 . . ?
C66A C65A H65A 111.5 . . ?
C64A C65A H65B 111.5 . . ?
C66A C65A H65B 111.5 . . ?
H65A C65A H65B 109.3 . . ?
O2A C66A C65A 104.7(7) . . ?
O2A C66A H66A 110.8 . . ?
C65A C66A H66A 110.8 . . ?
O2A C66A H66B 110.8 . . ?
C65A C66A H66B 110.8 . . ?
H66A C66A H66B 108.9 . . ?
Cl4B C63B Cl3B 102.4(11) . . ?
Cl4B C63B H63C 111.3 . . ?
Cl3B C63B H63C 111.3 . . ?
Cl4B C63B H63D 111.3 . . ?
Cl3B C63B H63D 111.3 . . ?
H63C C63B H63D 109.2 . . ?
Cl8B C67C Cl7B 103.8(14) . . ?
Cl8B C67C H67E 111.0 . . ?
Cl7B C67C H67E 111.0 . . ?
Cl8B C67C H67F 111.0 . . ?
Cl7B C67C H67F 111.0 . . ?
H67E C67C H67F 109.0 . . ?
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
Au1 P2 2.2918(8) . ?
Au1 P1 2.2969(8) . ?
P1 N9 1.634(3) . ?
P1 N1 1.714(3) . ?
P1 N8 1.724(3) . ?
P2 N10 1.637(3) . ?
P2 N4 1.721(3) . ?
P2 N5 1.726(3) . ?
N1 C32 1.400(4) . ?
N1 C1 1.408(4) . ?
N2 C2 1.280(4) . ?
N2 C3 1.421(4) . ?
N3 C9 1.261(4) . ?
N3 C8 1.424(4) . ?
N4 C13 1.385(4) . ?
N4 C10 1.418(4) . ?
N5 C15 1.398(4) . ?
N5 C18 1.409(4) . ?
N6 C19 1.281(4) . ?
N6 C20 1.404(4) . ?
N7 C26 1.288(4) . ?
N7 C25 1.417(4) . ?
N8 C30 1.402(4) . ?
N8 C27 1.411(4) . ?
N9 C50 1.490(4) . ?
N9 C47 1.510(4) . ?
N10 C53 1.501(4) . ?
N10 C56 1.503(4) . ?
C1 C34 1.365(5) . ?
C1 C2 1.446(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.392(5) . ?
C3 C8 1.400(5) . ?
C4 C5 1.392(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.400(6) . ?
C5 C35 1.515(5) . ?
C6 C7 1.388(5) . ?
C6 C36 1.510(6) . ?
C7 C8 1.397(5) . ?
C7 H7 0.9500 . ?
C9 C10 1.449(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.365(5) . ?
C11 C12 1.409(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.374(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.503(5) . ?
C14 C15 1.500(5) . ?
C14 C39 1.545(5) . ?
C14 C37 1.562(5) . ?
C15 C16 1.373(5) . ?
C16 C17 1.404(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.381(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.436(5) . ?
C19 H19 0.9500 . ?
C20 C25 1.404(5) . ?
C20 C21 1.405(5) . ?
C21 C22 1.382(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.409(5) . ?
C22 C41 1.506(5) . ?
C23 C24 1.393(5) . ?
C23 C42 1.506(5) . ?
C24 C25 1.392(5) . ?
C24 H24 0.9500 . ?
C26 C27 1.435(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.376(5) . ?
C28 C29 1.404(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.377(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.496(5) . ?
C31 C32 1.497(5) . ?
C31 C43 1.543(5) . ?
C31 C45 1.562(5) . ?
C32 C33 1.374(5) . ?
C33 C34 1.410(5) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.523(5) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.524(6) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.525(5) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.517(6) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C49 1.480(6) . ?
C47 C48 1.499(5) . ?
C47 H47 1.0000 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C52 1.521(5) . ?
C50 C51 1.533(5) . ?
C50 H50 1.0000 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.524(5) . ?
C53 C55 1.527(5) . ?
C53 H53 1.0000 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 C58 1.501(5) . ?
C56 C57 1.503(6) . ?
C56 H56 1.0000 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
Au2 Cl1 2.2564(14) . ?
Au2 Cl2 2.2689(11) . ?
O1A C59A 1.335(9) . ?
O1A C62A 1.374(8) . ?
C59A C60A 1.555(9) . ?
C59A H59A 0.9900 . ?
C59A H59B 0.9900 . ?
C60A C61A 1.559(9) . ?
C60A H60A 0.9900 . ?
C60A H60B 0.9900 . ?
C61A C62A 1.560(9) . ?
C61A H61A 0.9900 . ?
C61A H61B 0.9900 . ?
C62A H62A 0.9900 . ?
C62A H62B 0.9900 . ?
Cl5B C64B 1.92(2) . ?
Cl6B C64B 1.76(2) . ?
C64B H64C 0.9900 . ?
C64B H64D 0.9900 . ?
Cl5C C64C 1.92(2) . ?
Cl6C C64C 1.77(2) . ?
C64C H64E 0.9900 . ?
C64C H64F 0.9900 . ?
O3A C67A 1.548(11) . ?
O3A C70A 1.587(11) . ?
C67A C68A 1.403(17) . ?
C67A H67A 0.9900 . ?
C67A H67B 0.9900 . ?
C68A C69A 1.536(15) . ?
C68A H68A 0.9900 . ?
C68A H68B 0.9900 . ?
C69A C70A 1.353(17) . ?
C69A H69A 0.9900 . ?
C69A H69B 0.9900 . ?
C70A H70A 0.9900 . ?
C70A H70B 0.9900 . ?
O3B C67B 1.578(12) . ?
O3B C70B 1.603(12) . ?
C67B C68B 1.427(18) . ?
C67B H67C 0.9900 . ?
C67B H67D 0.9900 . ?
C68B C69B 1.549(16) . ?
C68B H68C 0.9900 . ?
C68B H68D 0.9900 . ?
C69B C70B 1.359(18) . ?
C69B H69C 0.9900 . ?
C69B H69D 0.9900 . ?
C70B H70C 0.9900 . ?
C70B H70D 0.9900 . ?
O2A C63A 1.339(10) . ?
O2A C66A 1.394(9) . ?
C63A C64A 1.572(11) . ?
C63A H63A 0.9900 . ?
C63A H63B 0.9900 . ?
C64A C65A 1.537(10) . ?
C64A H64A 0.9900 . ?
C64A H64B 0.9900 . ?
C65A C66A 1.563(10) . ?
C65A H65A 0.9900 . ?
C65A H65B 0.9900 . ?
C66A H66A 0.9900 . ?
C66A H66B 0.9900 . ?
Cl3B C63B 1.90(2) . ?
Cl4B C63B 1.77(2) . ?
C63B H63C 0.9900 . ?
C63B H63D 0.9900 . ?
Cl7B C67C 1.92(2) . ?
Cl8B C67C 1.77(2) . ?
C67C H67E 0.9900 . ?
C67C H67F 0.9900 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N9 P1 N1 C32 -109.8(3) . . . . ?
N8 P1 N1 C32 5.5(3) . . . . ?
Au1 P1 N1 C32 123.1(3) . . . . ?
N9 P1 N1 C1 55.4(3) . . . . ?
N8 P1 N1 C1 170.8(3) . . . . ?
Au1 P1 N1 C1 -71.7(3) . . . . ?
N10 P2 N4 C13 125.5(3) . . . . ?
N5 P2 N4 C13 10.3(3) . . . . ?
Au1 P2 N4 C13 -108.5(3) . . . . ?
N10 P2 N4 C10 -70.3(3) . . . . ?
N5 P2 N4 C10 174.5(3) . . . . ?
Au1 P2 N4 C10 55.7(3) . . . . ?
N10 P2 N5 C15 -104.7(3) . . . . ?
N4 P2 N5 C15 6.4(3) . . . . ?
Au1 P2 N5 C15 122.0(3) . . . . ?
N10 P2 N5 C18 56.4(3) . . . . ?
N4 P2 N5 C18 167.5(3) . . . . ?
Au1 P2 N5 C18 -76.9(3) . . . . ?
N9 P1 N8 C30 104.1(3) . . . . ?
N1 P1 N8 C30 -7.4(3) . . . . ?
Au1 P1 N8 C30 -125.5(3) . . . . ?
N9 P1 N8 C27 -59.0(3) . . . . ?
N1 P1 N8 C27 -170.4(3) . . . . ?
Au1 P1 N8 C27 71.4(3) . . . . ?
N1 P1 N9 C50 -137.3(2) . . . . ?
N8 P1 N9 C50 116.8(2) . . . . ?
Au1 P1 N9 C50 -11.8(3) . . . . ?
N1 P1 N9 C47 49.3(3) . . . . ?
N8 P1 N9 C47 -56.6(3) . . . . ?
Au1 P1 N9 C47 174.8(2) . . . . ?
N4 P2 N10 C53 143.3(2) . . . . ?
N5 P2 N10 C53 -111.6(2) . . . . ?
Au1 P2 N10 C53 20.9(3) . . . . ?
N4 P2 N10 C56 -44.7(3) . . . . ?
N5 P2 N10 C56 60.4(3) . . . . ?
Au1 P2 N10 C56 -167.2(2) . . . . ?
C32 N1 C1 C34 0.2(4) . . . . ?
P1 N1 C1 C34 -167.7(2) . . . . ?
C32 N1 C1 C2 -177.9(3) . . . . ?
P1 N1 C1 C2 14.2(4) . . . . ?
C3 N2 C2 C1 -172.3(3) . . . . ?
C34 C1 C2 N2 19.0(5) . . . . ?
N1 C1 C2 N2 -163.3(3) . . . . ?
C2 N2 C3 C4 -126.4(4) . . . . ?
C2 N2 C3 C8 55.3(5) . . . . ?
C8 C3 C4 C5 -2.2(5) . . . . ?
N2 C3 C4 C5 179.5(3) . . . . ?
C3 C4 C5 C6 1.8(6) . . . . ?
C3 C4 C5 C35 -178.5(4) . . . . ?
C4 C5 C6 C7 0.3(6) . . . . ?
C35 C5 C6 C7 -179.4(4) . . . . ?
C4 C5 C6 C36 -179.8(4) . . . . ?
C35 C5 C6 C36 0.5(6) . . . . ?
C5 C6 C7 C8 -2.0(6) . . . . ?
C36 C6 C7 C8 178.1(4) . . . . ?
C6 C7 C8 C3 1.6(5) . . . . ?
C6 C7 C8 N3 177.7(3) . . . . ?
C4 C3 C8 C7 0.5(5) . . . . ?
N2 C3 C8 C7 178.8(3) . . . . ?
C4 C3 C8 N3 -175.6(3) . . . . ?
N2 C3 C8 N3 2.7(5) . . . . ?
C9 N3 C8 C7 71.7(4) . . . . ?
C9 N3 C8 C3 -112.3(4) . . . . ?
C8 N3 C9 C10 -177.2(3) . . . . ?
C13 N4 C10 C11 -0.6(4) . . . . ?
P2 N4 C10 C11 -167.8(3) . . . . ?
C13 N4 C10 C9 -176.8(3) . . . . ?
P2 N4 C10 C9 15.9(5) . . . . ?
N3 C9 C10 C11 13.5(6) . . . . ?
N3 C9 C10 N4 -171.1(3) . . . . ?
N4 C10 C11 C12 0.5(5) . . . . ?
C9 C10 C11 C12 176.4(4) . . . . ?
C10 C11 C12 C13 -0.2(5) . . . . ?
C11 C12 C13 N4 -0.1(5) . . . . ?
C11 C12 C13 C14 172.3(4) . . . . ?
C10 N4 C13 C12 0.4(4) . . . . ?
P2 N4 C13 C12 166.4(3) . . . . ?
C10 N4 C13 C14 -172.2(3) . . . . ?
P2 N4 C13 C14 -6.3(5) . . . . ?
C12 C13 C14 C15 174.8(4) . . . . ?
N4 C13 C14 C15 -13.9(5) . . . . ?
C12 C13 C14 C39 50.7(5) . . . . ?
N4 C13 C14 C39 -138.1(3) . . . . ?
C12 C13 C14 C37 -66.1(5) . . . . ?
N4 C13 C14 C37 105.2(4) . . . . ?
C18 N5 C15 C16 -1.7(4) . . . . ?
P2 N5 C15 C16 161.7(3) . . . . ?
C18 N5 C15 C14 168.8(3) . . . . ?
P2 N5 C15 C14 -27.8(5) . . . . ?
C13 C14 C15 C16 -161.3(4) . . . . ?
C39 C14 C15 C16 -37.6(5) . . . . ?
C37 C14 C15 C16 79.7(4) . . . . ?
C13 C14 C15 N5 30.1(4) . . . . ?
C39 C14 C15 N5 153.8(3) . . . . ?
C37 C14 C15 N5 -88.8(4) . . . . ?
N5 C15 C16 C17 0.5(4) . . . . ?
C14 C15 C16 C17 -169.3(3) . . . . ?
C15 C16 C17 C18 0.9(4) . . . . ?
C16 C17 C18 N5 -1.9(4) . . . . ?
C16 C17 C18 C19 168.5(3) . . . . ?
C15 N5 C18 C17 2.2(4) . . . . ?
P2 N5 C18 C17 -162.2(3) . . . . ?
C15 N5 C18 C19 -168.2(3) . . . . ?
P2 N5 C18 C19 27.4(5) . . . . ?
C20 N6 C19 C18 178.8(3) . . . . ?
C17 C18 C19 N6 -164.1(4) . . . . ?
N5 C18 C19 N6 4.6(6) . . . . ?
C19 N6 C20 C25 -139.1(3) . . . . ?
C19 N6 C20 C21 40.6(5) . . . . ?
C25 C20 C21 C22 -1.4(5) . . . . ?
N6 C20 C21 C22 178.9(3) . . . . ?
C20 C21 C22 C23 2.0(5) . . . . ?
C20 C21 C22 C41 -178.2(4) . . . . ?
C21 C22 C23 C24 -0.9(5) . . . . ?
C41 C22 C23 C24 179.3(4) . . . . ?
C21 C22 C23 C42 -178.6(4) . . . . ?
C41 C22 C23 C42 1.6(6) . . . . ?
C22 C23 C24 C25 -0.7(5) . . . . ?
C42 C23 C24 C25 177.0(3) . . . . ?
C23 C24 C25 C20 1.3(5) . . . . ?
C23 C24 C25 N7 -177.4(3) . . . . ?
N6 C20 C25 C24 179.4(3) . . . . ?
C21 C20 C25 C24 -0.3(5) . . . . ?
N6 C20 C25 N7 -1.8(4) . . . . ?
C21 C20 C25 N7 178.5(3) . . . . ?
C26 N7 C25 C24 -42.9(4) . . . . ?
C26 N7 C25 C20 138.3(3) . . . . ?
C25 N7 C26 C27 177.9(3) . . . . ?
C30 N8 C27 C28 -1.0(4) . . . . ?
P1 N8 C27 C28 165.0(2) . . . . ?
C30 N8 C27 C26 171.8(3) . . . . ?
P1 N8 C27 C26 -22.1(5) . . . . ?
N7 C26 C27 C28 165.6(3) . . . . ?
N7 C26 C27 N8 -6.1(5) . . . . ?
N8 C27 C28 C29 1.2(4) . . . . ?
C26 C27 C28 C29 -171.8(3) . . . . ?
C27 C28 C29 C30 -0.9(4) . . . . ?
C28 C29 C30 N8 0.2(4) . . . . ?
C28 C29 C30 C31 168.9(3) . . . . ?
C27 N8 C30 C29 0.5(4) . . . . ?
P1 N8 C30 C29 -164.7(2) . . . . ?
C27 N8 C30 C31 -169.3(3) . . . . ?
P1 N8 C30 C31 25.6(4) . . . . ?
C29 C30 C31 C32 155.6(3) . . . . ?
N8 C30 C31 C32 -37.0(4) . . . . ?
C29 C30 C31 C43 32.4(5) . . . . ?
N8 C30 C31 C43 -160.2(3) . . . . ?
C29 C30 C31 C45 -86.7(4) . . . . ?
N8 C30 C31 C45 80.7(4) . . . . ?
C1 N1 C32 C33 -0.1(4) . . . . ?
P1 N1 C32 C33 167.0(2) . . . . ?
C1 N1 C32 C31 171.2(3) . . . . ?
P1 N1 C32 C31 -21.8(5) . . . . ?
C30 C31 C32 C33 -155.6(3) . . . . ?
C43 C31 C32 C33 -32.8(5) . . . . ?
C45 C31 C32 C33 88.7(4) . . . . ?
C30 C31 C32 N1 35.2(4) . . . . ?
C43 C31 C32 N1 158.1(3) . . . . ?
C45 C31 C32 N1 -80.4(4) . . . . ?
N1 C32 C33 C34 -0.1(4) . . . . ?
C31 C32 C33 C34 -170.5(3) . . . . ?
N1 C1 C34 C33 -0.3(4) . . . . ?
C2 C1 C34 C33 177.7(3) . . . . ?
C32 C33 C34 C1 0.3(4) . . . . ?
C15 C14 C37 C38 64.8(4) . . . . ?
C13 C14 C37 C38 -56.4(4) . . . . ?
C39 C14 C37 C38 -175.3(3) . . . . ?
C15 C14 C39 C40 -62.3(4) . . . . ?
C13 C14 C39 C40 62.2(4) . . . . ?
C37 C14 C39 C40 179.6(3) . . . . ?
C30 C31 C43 C44 60.5(4) . . . . ?
C32 C31 C43 C44 -62.9(4) . . . . ?
C45 C31 C43 C44 176.5(3) . . . . ?
C30 C31 C45 C46 -177.5(3) . . . . ?
C32 C31 C45 C46 -58.2(4) . . . . ?
C43 C31 C45 C46 63.6(4) . . . . ?
C50 N9 C47 C49 114.5(4) . . . . ?
P1 N9 C47 C49 -71.9(5) . . . . ?
C50 N9 C47 C48 -108.0(4) . . . . ?
P1 N9 C47 C48 65.6(5) . . . . ?
C47 N9 C50 C52 52.2(4) . . . . ?
P1 N9 C50 C52 -121.8(3) . . . . ?
C47 N9 C50 C51 -73.4(4) . . . . ?
P1 N9 C50 C51 112.6(3) . . . . ?
C56 N10 C53 C54 68.8(4) . . . . ?
P2 N10 C53 C54 -118.2(3) . . . . ?
C56 N10 C53 C55 -55.4(4) . . . . ?
P2 N10 C53 C55 117.5(3) . . . . ?
C53 N10 C56 C58 119.8(4) . . . . ?
P2 N10 C56 C58 -52.4(5) . . . . ?
C53 N10 C56 C57 -109.4(4) . . . . ?
P2 N10 C56 C57 78.4(4) . . . . ?
C62A O1A C59A C60A -5.1(9) . . . . ?
O1A C59A C60A C61A -13.8(10) . . . . ?
C59A C60A C61A C62A 23.7(8) . . . . ?
C59A O1A C62A C61A 22.6(9) . . . . ?
C60A C61A C62A O1A -28.3(7) . . . . ?
C70A O3A C67A C68A -7.8(18) . . . . ?
O3A C67A C68A C69A -1(2) . . . . ?
C67A C68A C69A C70A 11(2) . . . . ?
C68A C69A C70A O3A -16(2) . . . . ?
C67A O3A C70A C69A 16(2) . . . . ?
C70B O3B C67B C68B -43.5(18) . . . . ?
O3B C67B C68B C69B 32(3) . . . . ?
C67B C68B C69B C70B -3(3) . . . . ?
C68B C69B C70B O3B -27(3) . . . . ?
C67B O3B C70B C69B 45(2) . . . . ?
C66A O2A C63A C64A -37.7(11) . . . . ?
O2A C63A C64A C65A 20.7(12) . . . . ?
C63A C64A C65A C66A 1.0(11) . . . . ?
C63A O2A C66A C65A 39.2(11) . . . . ?
C64A C65A C66A O2A -21.6(10) . . . . ?
