# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4bCyp
_database_code_depnum_ccdc_archive 'CCDC 2223979'
loop_
_audit_author_name
_audit_author_address
'Macarena Gonzalez Alferez'
;csic
Spain
;
_audit_update_record             
;
2023-02-21 deposited with the CCDC.	2023-02-22 downloaded from the CCDC.
;
_vrf_RINTA01_4bCyp               
;
PROBLEM: The value of Rint is greater than 0.12
            Rint given   0.16
RESPONSE: Crystals diffracted extremely weak. 
Multiple attempts were made to grow better 
diffracting crystals, but they were unsuccessful.

;
_audit_creation_date             2023-02-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H70 Au P3 Rh'
_chemical_formula_sum            'C48 H70 Au P3 Rh'
_chemical_formula_weight         1039.82
_chemical_melting_point          ?
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4923(10)
_cell_length_b                   17.2690(18)
_cell_length_c                   18.5760(18)
_cell_angle_alpha                104.345(3)
_cell_angle_beta                 98.054(3)
_cell_angle_gamma                90.238(3)
_cell_volume                     2918.6(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4229
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      24.53
_cell_measurement_theta_min      2.30
_shelx_estimated_absorpt_T_max   0.893
_shelx_estimated_absorpt_T_min   0.439
_exptl_absorpt_coefficient_mu    2.900
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.3528
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1330 before and 0.0868 after correction.
The Ratio of minimum to maximum transmission is 0.4731.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.183
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1054
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1604
_diffrn_reflns_av_unetI/netI     0.1210
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            45966
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.169
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6412
_reflns_number_total             10273
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.120
_refine_diff_density_min         -1.270
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     494
_refine_ls_number_reflns         10273
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1088
_refine_ls_R_factor_gt           0.0556
_refine_ls_restrained_S_all      0.989
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0633P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1258
_refine_ls_wR_factor_ref         0.1544
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C39(H39), C44(H44)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C13(H13A,H13B), C14(H14A,H14B), C40(H40A,H40B), C41(H41A,
 H41B), C42(H42A,H42B), C43(H43A,H43B), C45(H45A,H45B), C46(H46A,H46B),
 C47(H47A,H47B), C48(H48A,H48B)
2.c Aromatic/amide H refined with riding coordinates:
 C19(H19), C20(H20), C21(H21), C25(H25), C26(H26), C27(H27), C33(H33),
 C34(H34), C35(H35)
2.d Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C11(H11A,
 H11B,H11C), C12(H12A,H12B,H12C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C),
 C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C37(H37A,H37B,H37C), C38(H38A,H38B,
 H38C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.46261(4) 0.45730(2) 0.32487(2) 0.04363(14) Uani 1 1 d . . . . .
Rh1 Rh 0.48751(8) 0.15347(4) 0.21594(4) 0.0438(2) Uani 1 1 d . . . . .
P1 P 0.3684(3) 0.11283(16) 0.29693(16) 0.0537(7) Uani 1 1 d . . . . .
P2 P 0.5941(3) 0.03674(15) 0.20389(16) 0.0506(7) Uani 1 1 d . . . . .
P3 P 0.5190(3) 0.57683(14) 0.30064(13) 0.0375(6) Uani 1 1 d . . . . .
C1 C 0.4133(11) 0.2650(6) 0.1885(5) 0.048(2) Uani 1 1 d . . . . .
C2 C 0.5145(13) 0.2302(6) 0.1403(5) 0.059(3) Uani 1 1 d . . . . .
C3 C 0.6492(12) 0.2295(6) 0.1857(6) 0.052(3) Uani 1 1 d . . . . .
C4 C 0.6333(10) 0.2644(5) 0.2622(6) 0.045(2) Uani 1 1 d . . . . .
C5 C 0.4883(10) 0.2894(5) 0.2649(5) 0.043(2) Uani 1 1 d . . . . .
C6 C 0.2634(13) 0.2845(7) 0.1664(7) 0.080(4) Uani 1 1 d . . . . .
H6A H 0.237726 0.265502 0.111806 0.121 Uiso 1 1 calc R U . . .
H6B H 0.253921 0.342599 0.181510 0.121 Uiso 1 1 calc R U . . .
H6C H 0.199955 0.258384 0.191281 0.121 Uiso 1 1 calc R U . . .
C7 C 0.4822(16) 0.2050(8) 0.0546(6) 0.090(4) Uani 1 1 d . . . . .
H7A H 0.550199 0.165556 0.034959 0.135 Uiso 1 1 calc R U . . .
H7B H 0.490431 0.251981 0.034532 0.135 Uiso 1 1 calc R U . . .
H7C H 0.385245 0.181359 0.039340 0.135 Uiso 1 1 calc R U . . .
C8 C 0.7852(13) 0.2063(7) 0.1569(7) 0.078(4) Uani 1 1 d . . . . .
H8A H 0.853257 0.193772 0.196790 0.117 Uiso 1 1 calc R U . . .
H8B H 0.824372 0.250700 0.140612 0.117 Uiso 1 1 calc R U . . .
H8C H 0.767845 0.159187 0.114202 0.117 Uiso 1 1 calc R U . . .
C9 C 0.7487(11) 0.2833(7) 0.3288(6) 0.064(3) Uani 1 1 d . . . . .
H9A H 0.717881 0.264280 0.369858 0.097 Uiso 1 1 calc R U . . .
H9B H 0.768165 0.341256 0.345241 0.097 Uiso 1 1 calc R U . . .
H9C H 0.835455 0.256659 0.314852 0.097 Uiso 1 1 calc R U . . .
C10 C 0.4292(10) 0.3392(5) 0.3311(5) 0.042(2) Uani 1 1 d . . . . .
H10A H 0.480000 0.330595 0.378641 0.051 Uiso 1 1 calc R U . . .
H10B H 0.326499 0.326274 0.327927 0.051 Uiso 1 1 calc R U . . .
C11 C 0.4300(14) 0.1480(7) 0.3949(6) 0.077(4) Uani 1 1 d . . . . .
H11A H 0.529406 0.133969 0.405386 0.116 Uiso 1 1 calc R U . . .
H11B H 0.371307 0.123090 0.423038 0.116 Uiso 1 1 calc R U . . .
H11C H 0.423251 0.206224 0.410066 0.116 Uiso 1 1 calc R U . . .
C12 C 0.1796(12) 0.1329(8) 0.2925(8) 0.086(4) Uani 1 1 d . . . . .
H12A H 0.168132 0.190051 0.313463 0.129 Uiso 1 1 calc R U . . .
H12B H 0.135220 0.101899 0.321597 0.129 Uiso 1 1 calc R U . . .
H12C H 0.133721 0.117469 0.240083 0.129 Uiso 1 1 calc R U . . .
C13 C 0.3709(14) 0.0045(6) 0.2778(7) 0.072(3) Uani 1 1 d . . . . .
H13A H 0.350368 -0.012943 0.322354 0.086 Uiso 1 1 calc R U . . .
H13B H 0.296528 -0.019848 0.235113 0.086 Uiso 1 1 calc R U . . .
C14 C 0.5149(13) -0.0228(6) 0.2594(8) 0.077(4) Uani 1 1 d . . . . .
H14A H 0.505782 -0.079575 0.230802 0.092 Uiso 1 1 calc R U . . .
H14B H 0.579935 -0.019242 0.306733 0.092 Uiso 1 1 calc R U . . .
C15 C 0.7865(12) 0.0379(8) 0.2391(8) 0.086(4) Uani 1 1 d . . . . .
H15A H 0.841318 0.037479 0.198054 0.129 Uiso 1 1 calc R U . . .
H15B H 0.807265 -0.009374 0.258332 0.129 Uiso 1 1 calc R U . . .
H15C H 0.812807 0.086346 0.279555 0.129 Uiso 1 1 calc R U . . .
C16 C 0.5805(15) -0.0255(7) 0.1096(7) 0.083(4) Uani 1 1 d . . . . .
H16A H 0.481166 -0.044021 0.091359 0.125 Uiso 1 1 calc R U . . .
H16B H 0.640162 -0.071704 0.109260 0.125 Uiso 1 1 calc R U . . .
H16C H 0.612726 0.005423 0.076836 0.125 Uiso 1 1 calc R U . . .
C17 C 0.3775(10) 0.6496(5) 0.2925(5) 0.040(2) Uani 1 1 d . . . . .
C18 C 0.3996(10) 0.7223(6) 0.2728(5) 0.044(2) Uani 1 1 d . . . . .
C19 C 0.2882(11) 0.7734(7) 0.2682(6) 0.058(3) Uani 1 1 d . . . . .
H19 H 0.303822 0.821205 0.253385 0.070 Uiso 1 1 calc R U . . .
C20 C 0.1570(12) 0.7572(7) 0.2842(8) 0.080(4) Uani 1 1 d . . . . .
H20 H 0.083732 0.794179 0.281751 0.096 Uiso 1 1 calc R U . . .
C21 C 0.1307(11) 0.6872(7) 0.3041(7) 0.068(3) Uani 1 1 d . . . . .
H21 H 0.039110 0.675931 0.314979 0.081 Uiso 1 1 calc R U . . .
C22 C 0.2410(10) 0.6315(6) 0.3083(5) 0.043(2) Uani 1 1 d . . . . .
C23 C 0.5343(10) 0.7515(5) 0.2533(5) 0.044(2) Uani 1 1 d . . . . .
C24 C 0.5541(12) 0.7379(6) 0.1781(7) 0.060(3) Uani 1 1 d . . . . .
C25 C 0.6818(17) 0.7649(8) 0.1612(9) 0.087(5) Uani 1 1 d . . . . .
H25 H 0.697517 0.753841 0.110273 0.105 Uiso 1 1 calc R U . . .
C26 C 0.7835(16) 0.8067(9) 0.2160(11) 0.094(5) Uani 1 1 d . . . . .
H26 H 0.871894 0.821535 0.203634 0.113 Uiso 1 1 calc R U . . .
C27 C 0.7589(13) 0.8273(7) 0.2885(9) 0.076(4) Uani 1 1 d . . . . .
H27 H 0.827834 0.860003 0.325789 0.091 Uiso 1 1 calc R U . . .
C28 C 0.6375(12) 0.8022(6) 0.3092(6) 0.053(3) Uani 1 1 d . . . . .
C29 C 0.4380(16) 0.6961(8) 0.1162(6) 0.093(5) Uani 1 1 d . . . . .
H29A H 0.371465 0.667054 0.136947 0.140 Uiso 1 1 calc R U . . .
H29B H 0.480500 0.658277 0.077306 0.140 Uiso 1 1 calc R U . . .
H29C H 0.386751 0.735773 0.094117 0.140 Uiso 1 1 calc R U . . .
C30 C 0.6071(14) 0.8333(6) 0.3879(6) 0.072(3) Uani 1 1 d . . . . .
H30A H 0.607743 0.891918 0.400162 0.109 Uiso 1 1 calc R U . . .
H30B H 0.680255 0.816114 0.422702 0.109 Uiso 1 1 calc R U . . .
H30C H 0.513445 0.812417 0.392289 0.109 Uiso 1 1 calc R U . . .
C31 C 0.1932(9) 0.5578(6) 0.3285(5) 0.040(2) Uani 1 1 d . . . . .
C32 C 0.2051(10) 0.5536(6) 0.4030(5) 0.044(2) Uani 1 1 d . . . . .
C33 C 0.1478(11) 0.4881(7) 0.4203(6) 0.056(3) Uani 1 1 d . . . . .
H33 H 0.158266 0.484920 0.471092 0.068 Uiso 1 1 calc R U . . .
C34 C 0.0771(11) 0.4286(7) 0.3658(7) 0.059(3) Uani 1 1 d . . . . .
H34 H 0.038538 0.384124 0.379186 0.071 Uiso 1 1 calc R U . . .
C35 C 0.0596(10) 0.4303(6) 0.2926(7) 0.059(3) Uani 1 1 d . . . . .
H35 H 0.007851 0.387937 0.255614 0.071 Uiso 1 1 calc R U . . .
C36 C 0.1186(9) 0.4956(6) 0.2708(6) 0.048(2) Uani 1 1 d . . . . .
C37 C 0.2732(11) 0.6200(7) 0.4662(6) 0.061(3) Uani 1 1 d . . . . .
H37A H 0.353804 0.599928 0.494378 0.092 Uiso 1 1 calc R U . . .
H37B H 0.203422 0.640910 0.499586 0.092 Uiso 1 1 calc R U . . .
H37C H 0.307134 0.662887 0.446036 0.092 Uiso 1 1 calc R U . . .
C38 C 0.0946(11) 0.4987(7) 0.1902(5) 0.062(3) Uani 1 1 d . . . . .
H38A H 0.042584 0.546470 0.185514 0.093 Uiso 1 1 calc R U . . .
H38B H 0.038948 0.450824 0.159972 0.093 Uiso 1 1 calc R U . . .
H38C H 0.186633 0.500692 0.172377 0.093 Uiso 1 1 calc R U . . .
C39 C 0.5817(10) 0.5496(6) 0.2086(5) 0.045(2) Uani 1 1 d . . . . .
H39 H 0.612527 0.598953 0.195094 0.054 Uiso 1 1 calc R U . . .
C40 C 0.7039(11) 0.4903(6) 0.2050(6) 0.057(3) Uani 1 1 d . . . . .
H40A H 0.796104 0.518466 0.207227 0.068 Uiso 1 1 calc R U . . .
H40B H 0.710349 0.464771 0.247443 0.068 Uiso 1 1 calc R U . . .
C41 C 0.6677(14) 0.4276(7) 0.1302(7) 0.074(4) Uani 1 1 d . . . . .
H41A H 0.747953 0.423405 0.100862 0.089 Uiso 1 1 calc R U . . .
H41B H 0.648050 0.374605 0.138928 0.089 Uiso 1 1 calc R U . . .
C42 C 0.5420(16) 0.4541(8) 0.0901(7) 0.095(5) Uani 1 1 d . . . . .
H42A H 0.480871 0.407651 0.059658 0.114 Uiso 1 1 calc R U . . .
H42B H 0.569585 0.485925 0.056284 0.114 Uiso 1 1 calc R U . . .
C43 C 0.4657(13) 0.5036(7) 0.1479(6) 0.069(3) Uani 1 1 d . . . . .
H43A H 0.406342 0.469583 0.168571 0.083 Uiso 1 1 calc R U . . .
H43B H 0.403697 0.540880 0.126674 0.083 Uiso 1 1 calc R U . . .
C44 C 0.6654(10) 0.6329(6) 0.3687(5) 0.043(2) Uani 1 1 d . . . . .
H44 H 0.687330 0.682799 0.353587 0.052 Uiso 1 1 calc R U . . .
C45 C 0.8050(10) 0.5882(6) 0.3782(5) 0.048(2) Uani 1 1 d . . . . .
H45A H 0.857796 0.584582 0.335235 0.058 Uiso 1 1 calc R U . . .
H45B H 0.786197 0.533683 0.383776 0.058 Uiso 1 1 calc R U . . .
C46 C 0.8870(10) 0.6426(6) 0.4517(5) 0.051(3) Uani 1 1 d . . . . .
H46A H 0.944315 0.610029 0.481001 0.062 Uiso 1 1 calc R U . . .
H46B H 0.951648 0.681475 0.440007 0.062 Uiso 1 1 calc R U . . .
C47 C 0.7736(10) 0.6866(7) 0.4964(5) 0.054(3) Uani 1 1 d . . . . .
H47A H 0.779628 0.673892 0.545898 0.065 Uiso 1 1 calc R U . . .
H47B H 0.786316 0.745171 0.504516 0.065 Uiso 1 1 calc R U . . .
C48 C 0.6314(10) 0.6563(6) 0.4484(5) 0.049(2) Uani 1 1 d . . . . .
H48A H 0.592786 0.609660 0.462422 0.058 Uiso 1 1 calc R U . . .
H48B H 0.561206 0.698865 0.454115 0.058 Uiso 1 1 calc R U . . .
H H 0.374(7) 0.091(4) 0.161(4) 0.03(2) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 P3 2.295(2) . ?
Au1 C10 2.096(9) . ?
Rh1 P1 2.242(3) . ?
Rh1 P2 2.235(3) . ?
Rh1 C1 2.206(9) . ?
Rh1 C2 2.194(10) . ?
Rh1 C3 2.233(10) . ?
Rh1 C4 2.270(9) . ?
Rh1 C5 2.297(8) . ?
Rh1 H 1.58(7) . ?
P1 C11 1.781(12) . ?
P1 C12 1.822(12) . ?
P1 C13 1.817(11) . ?
P2 C14 1.849(11) . ?
P2 C15 1.850(12) . ?
P2 C16 1.801(11) . ?
P3 C17 1.859(9) . ?
P3 C39 1.840(9) . ?
P3 C44 1.832(10) . ?
C1 C2 1.437(14) . ?
C1 C5 1.455(13) . ?
C1 C6 1.488(15) . ?
C2 C3 1.431(15) . ?
C2 C7 1.529(14) . ?
C3 C4 1.429(13) . ?
C3 C8 1.485(14) . ?
C4 C5 1.447(13) . ?
C4 C9 1.503(14) . ?
C5 C10 1.498(12) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.505(15) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.414(13) . ?
C17 C22 1.418(12) . ?
C18 C19 1.387(13) . ?
C18 C23 1.496(13) . ?
C19 H19 0.9500 . ?
C19 C20 1.364(14) . ?
C20 H20 0.9500 . ?
C20 C21 1.380(15) . ?
C21 H21 0.9500 . ?
C21 C22 1.431(13) . ?
C22 C31 1.498(12) . ?
C23 C24 1.398(14) . ?
C23 C28 1.436(14) . ?
C24 C25 1.400(16) . ?
C24 C29 1.512(16) . ?
C25 H25 0.9500 . ?
C25 C26 1.36(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.360(19) . ?
C27 H27 0.9500 . ?
C27 C28 1.366(16) . ?
C28 C30 1.497(15) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.394(12) . ?
C31 C36 1.419(13) . ?
C32 C33 1.378(13) . ?
C32 C37 1.492(13) . ?
C33 H33 0.9500 . ?
C33 C34 1.349(15) . ?
C34 H34 0.9500 . ?
C34 C35 1.356(15) . ?
C35 H35 0.9500 . ?
C35 C36 1.425(14) . ?
C36 C38 1.497(13) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39 1.0000 . ?
C39 C40 1.548(13) . ?
C39 C43 1.521(14) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.529(14) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C42 1.454(16) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.475(15) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44 1.0000 . ?
C44 C45 1.547(12) . ?
C44 C48 1.515(12) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.554(13) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C47 1.540(13) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C48 1.522(13) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?

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
C10 Au1 P3 170.1(2) . . ?
P1 Rh1 C4 117.2(3) . . ?
P1 Rh1 C5 99.5(2) . . ?
P1 Rh1 H 78(2) . . ?
P2 Rh1 P1 85.53(10) . . ?
P2 Rh1 C4 115.6(3) . . ?
P2 Rh1 C5 150.8(3) . . ?
P2 Rh1 H 76(3) . . ?
C1 Rh1 P1 114.5(3) . . ?
C1 Rh1 P2 158.7(3) . . ?
C1 Rh1 C3 63.3(4) . . ?
C1 Rh1 C4 62.8(4) . . ?
C1 Rh1 C5 37.6(3) . . ?
C1 Rh1 H 100(3) . . ?
C2 Rh1 P1 151.9(3) . . ?
C2 Rh1 P2 120.9(3) . . ?
C2 Rh1 C1 38.1(4) . . ?
C2 Rh1 C3 37.7(4) . . ?
C2 Rh1 C4 62.5(4) . . ?
C2 Rh1 C5 62.6(3) . . ?
C2 Rh1 H 98(3) . . ?
C3 Rh1 P1 153.8(3) . . ?
C3 Rh1 P2 102.0(3) . . ?
C3 Rh1 C4 37.0(3) . . ?
C3 Rh1 C5 62.1(3) . . ?
C3 Rh1 H 128(2) . . ?
C4 Rh1 C5 36.9(3) . . ?
C4 Rh1 H 160(3) . . ?
C5 Rh1 H 133(3) . . ?
C11 P1 Rh1 118.6(4) . . ?
C11 P1 C12 101.8(6) . . ?
C11 P1 C13 105.1(6) . . ?
C12 P1 Rh1 117.4(5) . . ?
C13 P1 Rh1 108.9(4) . . ?
C13 P1 C12 103.5(6) . . ?
C14 P2 Rh1 109.3(3) . . ?
C14 P2 C15 102.6(6) . . ?
C15 P2 Rh1 118.4(4) . . ?
C16 P2 Rh1 115.6(4) . . ?
C16 P2 C14 106.5(6) . . ?
C16 P2 C15 103.1(6) . . ?
C17 P3 Au1 119.4(3) . . ?
C39 P3 Au1 105.1(3) . . ?
C39 P3 C17 105.8(4) . . ?
C44 P3 Au1 112.6(3) . . ?
C44 P3 C17 105.9(4) . . ?
C44 P3 C39 107.4(4) . . ?
C2 C1 Rh1 70.5(6) . . ?
C2 C1 C5 107.7(9) . . ?
C2 C1 C6 128.0(9) . . ?
C5 C1 Rh1 74.6(5) . . ?
C5 C1 C6 123.8(9) . . ?
C6 C1 Rh1 126.9(8) . . ?
C1 C2 Rh1 71.4(6) . . ?
C1 C2 C7 124.2(11) . . ?
C3 C2 Rh1 72.6(6) . . ?
C3 C2 C1 108.6(8) . . ?
C3 C2 C7 127.0(10) . . ?
C7 C2 Rh1 125.6(8) . . ?
C2 C3 Rh1 69.7(6) . . ?
C2 C3 C8 125.5(10) . . ?
C4 C3 Rh1 72.9(6) . . ?
C4 C3 C2 108.1(9) . . ?
C4 C3 C8 126.0(10) . . ?
C8 C3 Rh1 129.0(7) . . ?
C3 C4 Rh1 70.1(6) . . ?
C3 C4 C5 108.6(9) . . ?
C3 C4 C9 127.1(9) . . ?
C5 C4 Rh1 72.5(5) . . ?
C5 C4 C9 123.8(9) . . ?
C9 C4 Rh1 129.4(7) . . ?
C1 C5 Rh1 67.8(5) . . ?
C1 C5 C10 125.5(9) . . ?
C4 C5 Rh1 70.5(5) . . ?
C4 C5 C1 107.0(8) . . ?
C4 C5 C10 127.2(9) . . ?
C10 C5 Rh1 132.0(6) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Au1 C10 H10A 110.9 . . ?
Au1 C10 H10B 110.9 . . ?
C5 C10 Au1 104.4(6) . . ?
C5 C10 H10A 110.9 . . ?
C5 C10 H10B 110.9 . . ?
H10A C10 H10B 108.9 . . ?
P1 C11 H11A 109.5 . . ?
P1 C11 H11B 109.5 . . ?
P1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P1 C12 H12A 109.5 . . ?
P1 C12 H12B 109.5 . . ?
P1 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P1 C13 H13A 109.8 . . ?
P1 C13 H13B 109.8 . . ?
H13A C13 H13B 108.2 . . ?
C14 C13 P1 109.5(8) . . ?
C14 C13 H13A 109.8 . . ?
C14 C13 H13B 109.8 . . ?
P2 C14 H14A 108.9 . . ?
P2 C14 H14B 108.9 . . ?
C13 C14 P2 113.2(8) . . ?
C13 C14 H14A 108.9 . . ?
C13 C14 H14B 108.9 . . ?
H14A C14 H14B 107.8 . . ?
P2 C15 H15A 109.5 . . ?
P2 C15 H15B 109.5 . . ?
P2 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
P2 C16 H16A 109.5 . . ?
P2 C16 H16B 109.5 . . ?
P2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 P3 123.6(7) . . ?
C18 C17 C22 118.5(8) . . ?
C22 C17 P3 117.9(7) . . ?
C17 C18 C23 126.6(8) . . ?
C19 C18 C17 119.9(9) . . ?
C19 C18 C23 113.4(8) . . ?
C18 C19 H19 118.9 . . ?
C20 C19 C18 122.1(10) . . ?
C20 C19 H19 118.9 . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 120.0(10) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.2(10) . . ?
C22 C21 H21 119.9 . . ?
C17 C22 C21 119.2(9) . . ?
C17 C22 C31 127.5(8) . . ?
C21 C22 C31 113.3(8) . . ?
C24 C23 C18 119.9(9) . . ?
C24 C23 C28 118.0(9) . . ?
C28 C23 C18 121.6(9) . . ?
C23 C24 C25 119.0(13) . . ?
C23 C24 C29 120.3(10) . . ?
C25 C24 C29 120.7(12) . . ?
C24 C25 H25 119.3 . . ?
C26 C25 C24 121.4(14) . . ?
C26 C25 H25 119.3 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 120.0(14) . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 119.2 . . ?
C26 C27 C28 121.7(14) . . ?
C28 C27 H27 119.2 . . ?
C23 C28 C30 120.5(10) . . ?
C27 C28 C23 119.4(11) . . ?
C27 C28 C30 119.9(12) . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C22 121.4(9) . . ?
C32 C31 C36 119.7(9) . . ?
C36 C31 C22 118.5(8) . . ?
C31 C32 C37 121.8(9) . . ?
C33 C32 C31 120.0(9) . . ?
C33 C32 C37 118.1(9) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 C32 120.6(10) . . ?
C34 C33 H33 119.7 . . ?
C33 C34 H34 119.1 . . ?
C33 C34 C35 121.9(11) . . ?
C35 C34 H34 119.1 . . ?
C34 C35 H35 119.9 . . ?
C34 C35 C36 120.2(11) . . ?
C36 C35 H35 119.9 . . ?
C31 C36 C35 117.5(9) . . ?
C31 C36 C38 122.4(9) . . ?
C35 C36 C38 120.0(10) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
P3 C39 H39 109.8 . . ?
C40 C39 P3 113.5(7) . . ?
C40 C39 H39 109.8 . . ?
C43 C39 P3 111.1(7) . . ?
C43 C39 H39 109.8 . . ?
C43 C39 C40 102.7(8) . . ?
C39 C40 H40A 110.5 . . ?
C39 C40 H40B 110.5 . . ?
H40A C40 H40B 108.7 . . ?
C41 C40 C39 106.2(9) . . ?
C41 C40 H40A 110.5 . . ?
C41 C40 H40B 110.5 . . ?
C40 C41 H41A 110.4 . . ?
C40 C41 H41B 110.4 . . ?
H41A C41 H41B 108.6 . . ?
C42 C41 C40 106.6(9) . . ?
C42 C41 H41A 110.4 . . ?
C42 C41 H41B 110.4 . . ?
C41 C42 H42A 110.5 . . ?
C41 C42 H42B 110.5 . . ?
C41 C42 C43 106.2(10) . . ?
H42A C42 H42B 108.7 . . ?
C43 C42 H42A 110.5 . . ?
C43 C42 H42B 110.5 . . ?
C39 C43 H43A 110.7 . . ?
C39 C43 H43B 110.7 . . ?
C42 C43 C39 105.2(10) . . ?
C42 C43 H43A 110.7 . . ?
C42 C43 H43B 110.7 . . ?
H43A C43 H43B 108.8 . . ?
P3 C44 H44 108.4 . . ?
C45 C44 P3 116.1(7) . . ?
C45 C44 H44 108.4 . . ?
C48 C44 P3 113.4(7) . . ?
C48 C44 H44 108.4 . . ?
C48 C44 C45 101.9(7) . . ?
C44 C45 H45A 111.4 . . ?
C44 C45 H45B 111.4 . . ?
C44 C45 C46 101.8(8) . . ?
H45A C45 H45B 109.3 . . ?
C46 C45 H45A 111.4 . . ?
C46 C45 H45B 111.4 . . ?
C45 C46 H46A 110.4 . . ?
C45 C46 H46B 110.4 . . ?
H46A C46 H46B 108.6 . . ?
C47 C46 C45 106.4(8) . . ?
C47 C46 H46A 110.4 . . ?
C47 C46 H46B 110.4 . . ?
C46 C47 H47A 110.7 . . ?
C46 C47 H47B 110.7 . . ?
H47A C47 H47B 108.8 . . ?
C48 C47 C46 105.2(8) . . ?
C48 C47 H47A 110.7 . . ?
C48 C47 H47B 110.7 . . ?
C44 C48 C47 104.4(8) . . ?
C44 C48 H48A 110.9 . . ?
C44 C48 H48B 110.9 . . ?
C47 C48 H48A 110.9 . . ?
C47 C48 H48B 110.9 . . ?
H48A C48 H48B 108.9 . . ?

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
Au1 P3 C17 C18 -175.7(6) . . . . ?
Au1 P3 C17 C22 5.5(8) . . . . ?
Au1 P3 C39 C40 -54.2(8) . . . . ?
Au1 P3 C39 C43 60.8(8) . . . . ?
Au1 P3 C44 C45 55.3(7) . . . . ?
Au1 P3 C44 C48 -62.2(7) . . . . ?
Rh1 P1 C13 C14 39.5(10) . . . . ?
Rh1 P2 C14 C13 19.4(11) . . . . ?
Rh1 C1 C2 C3 -63.5(7) . . . . ?
Rh1 C1 C2 C7 120.9(11) . . . . ?
Rh1 C1 C5 C4 59.9(6) . . . . ?
Rh1 C1 C5 C10 -126.6(8) . . . . ?
Rh1 C2 C3 C4 -63.2(7) . . . . ?
Rh1 C2 C3 C8 124.1(10) . . . . ?
Rh1 C3 C4 C5 -62.7(6) . . . . ?
Rh1 C3 C4 C9 124.9(10) . . . . ?
Rh1 C4 C5 C1 -58.2(6) . . . . ?
Rh1 C4 C5 C10 128.5(9) . . . . ?
Rh1 C5 C10 Au1 -174.2(6) . . . . ?
P1 C13 C14 P2 -37.1(12) . . . . ?
P3 C17 C18 C19 -179.8(8) . . . . ?
P3 C17 C18 C23 2.1(13) . . . . ?
P3 C17 C22 C21 178.7(8) . . . . ?
P3 C17 C22 C31 -2.6(13) . . . . ?
P3 C39 C40 C41 136.0(8) . . . . ?
P3 C39 C43 C42 -153.7(9) . . . . ?
P3 C44 C45 C46 -166.0(6) . . . . ?
P3 C44 C48 C47 169.2(6) . . . . ?
C1 C2 C3 Rh1 62.8(7) . . . . ?
C1 C2 C3 C4 -0.4(12) . . . . ?
C1 C2 C3 C8 -173.2(10) . . . . ?
C1 C5 C10 Au1 -83.2(9) . . . . ?
C2 C1 C5 Rh1 -63.1(7) . . . . ?
C2 C1 C5 C4 -3.2(10) . . . . ?
C2 C1 C5 C10 170.2(8) . . . . ?
C2 C3 C4 Rh1 61.1(7) . . . . ?
C2 C3 C4 C5 -1.6(11) . . . . ?
C2 C3 C4 C9 -173.9(10) . . . . ?
C3 C4 C5 Rh1 61.2(7) . . . . ?
C3 C4 C5 C1 3.0(10) . . . . ?
C3 C4 C5 C10 -170.3(8) . . . . ?
C4 C5 C10 Au1 88.9(9) . . . . ?
C5 C1 C2 Rh1 65.8(6) . . . . ?
C5 C1 C2 C3 2.3(11) . . . . ?
C5 C1 C2 C7 -173.2(10) . . . . ?
C6 C1 C2 Rh1 -122.1(11) . . . . ?
C6 C1 C2 C3 174.4(10) . . . . ?
C6 C1 C2 C7 -1.1(18) . . . . ?
C6 C1 C5 Rh1 124.3(10) . . . . ?
C6 C1 C5 C4 -175.7(9) . . . . ?
C6 C1 C5 C10 -2.3(15) . . . . ?
C7 C2 C3 Rh1 -121.9(11) . . . . ?
C7 C2 C3 C4 174.9(10) . . . . ?
C7 C2 C3 C8 2.2(18) . . . . ?
C8 C3 C4 Rh1 -126.2(11) . . . . ?
C8 C3 C4 C5 171.1(9) . . . . ?
C8 C3 C4 C9 -1.3(17) . . . . ?
C9 C4 C5 Rh1 -126.2(9) . . . . ?
C9 C4 C5 C1 175.6(9) . . . . ?
C9 C4 C5 C10 2.3(14) . . . . ?
C11 P1 C13 C14 -88.5(10) . . . . ?
C12 P1 C13 C14 165.1(9) . . . . ?
C15 P2 C14 C13 145.9(10) . . . . ?
C16 P2 C14 C13 -106.2(10) . . . . ?
C17 P3 C39 C40 178.5(7) . . . . ?
C17 P3 C39 C43 -66.4(8) . . . . ?
C17 P3 C44 C45 -172.6(7) . . . . ?
C17 P3 C44 C48 69.9(7) . . . . ?
C17 C18 C19 C20 2.0(17) . . . . ?
C17 C18 C23 C24 95.4(12) . . . . ?
C17 C18 C23 C28 -92.5(12) . . . . ?
C17 C22 C31 C32 90.7(12) . . . . ?
C17 C22 C31 C36 -97.3(11) . . . . ?
C18 C17 C22 C21 -0.2(14) . . . . ?
C18 C17 C22 C31 178.6(9) . . . . ?
C18 C19 C20 C21 -2(2) . . . . ?
C18 C23 C24 C25 -179.2(9) . . . . ?
C18 C23 C24 C29 2.0(15) . . . . ?
C18 C23 C28 C27 180.0(9) . . . . ?
C18 C23 C28 C30 -5.5(13) . . . . ?
C19 C18 C23 C24 -82.8(11) . . . . ?
C19 C18 C23 C28 89.3(11) . . . . ?
C19 C20 C21 C22 0(2) . . . . ?
C20 C21 C22 C17 0.5(17) . . . . ?
C20 C21 C22 C31 -178.4(11) . . . . ?
C21 C22 C31 C32 -90.5(11) . . . . ?
C21 C22 C31 C36 81.5(11) . . . . ?
C22 C17 C18 C19 -1.0(14) . . . . ?
C22 C17 C18 C23 -179.2(9) . . . . ?
C22 C31 C32 C33 173.7(9) . . . . ?
C22 C31 C32 C37 -3.6(14) . . . . ?
C22 C31 C36 C35 -172.8(8) . . . . ?
C22 C31 C36 C38 4.2(13) . . . . ?
C23 C18 C19 C20 -179.7(11) . . . . ?
C23 C24 C25 C26 -2.7(18) . . . . ?
C24 C23 C28 C27 -7.8(14) . . . . ?
C24 C23 C28 C30 166.7(9) . . . . ?
C24 C25 C26 C27 -4(2) . . . . ?
C25 C26 C27 C28 5(2) . . . . ?
C26 C27 C28 C23 1.2(16) . . . . ?
C26 C27 C28 C30 -173.3(11) . . . . ?
C28 C23 C24 C25 8.4(14) . . . . ?
C28 C23 C24 C29 -170.4(10) . . . . ?
C29 C24 C25 C26 176.1(12) . . . . ?
C31 C32 C33 C34 -1.6(15) . . . . ?
C32 C31 C36 C35 -0.6(13) . . . . ?
C32 C31 C36 C38 176.4(9) . . . . ?
C32 C33 C34 C35 0.1(16) . . . . ?
C33 C34 C35 C36 1.1(16) . . . . ?
C34 C35 C36 C31 -0.9(14) . . . . ?
C34 C35 C36 C38 -177.9(9) . . . . ?
C36 C31 C32 C33 1.8(14) . . . . ?
C36 C31 C32 C37 -175.5(8) . . . . ?
C37 C32 C33 C34 175.8(9) . . . . ?
C39 P3 C17 C18 -57.6(8) . . . . ?
C39 P3 C17 C22 123.6(7) . . . . ?
C39 P3 C44 C45 -59.9(8) . . . . ?
C39 P3 C44 C48 -177.4(6) . . . . ?
C39 C40 C41 C42 5.9(13) . . . . ?
C40 C39 C43 C42 -32.1(12) . . . . ?
C40 C41 C42 C43 -26.5(15) . . . . ?
C41 C42 C43 C39 37.3(15) . . . . ?
C43 C39 C40 C41 16.0(11) . . . . ?
C44 P3 C17 C18 56.1(8) . . . . ?
C44 P3 C17 C22 -122.6(7) . . . . ?
C44 P3 C39 C40 65.8(8) . . . . ?
C44 P3 C39 C43 -179.1(7) . . . . ?
C44 C45 C46 C47 25.8(10) . . . . ?
C45 C44 C48 C47 43.7(10) . . . . ?
C45 C46 C47 C48 0.3(11) . . . . ?
C46 C47 C48 C44 -27.2(10) . . . . ?
C48 C44 C45 C46 -42.3(9) . . . . ?

# SQUEEZE RESULTS (Version = 190222)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.001 -0.001 -0.011 859 339 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_7aMe
_database_code_depnum_ccdc_archive 'CCDC 2223980'
loop_
_audit_author_name
_audit_author_address
'Macarena Gonzalez Alferez'
;csic
Spain
;
_audit_update_record             
;
2023-02-21 deposited with the CCDC.	2023-02-22 downloaded from the CCDC.
;
_vrf_PLAT213_7aMe                
;
PROBLEM: Type_2 Test ratio adp max/min in main residue(s)
RESPONSE: This atom was still not ideally shaped,
 however, this does not indicate 
an incorrect atom-type assignment.
;
_vrf_PLAT241_7aMe                
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of N2 
RESPONSE: This is due to the disorder of triflimidate group.
Modeling of the disorder was attempted but unsuccessful.
;
_vrf_PLAT230_7aMe                
;
PROBLEM: Hirshfeld Test Diff for S3--N2 19.5 s.u.   
RESPONSE: This is due to the disorder of triflimidate group.
Modeling of the disorder was attempted but unsuccessful.
;
_vrf_PLAT242_7aMe                
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of  
RESPONSE: This is due to the disorder of triflimidate group.
Modeling of the disorder was attempted but unsuccessful.
;

_audit_creation_date             2022-11-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C39 H52 Au P3 Rh), 2(C2 F6 N O4 S2)'
_chemical_formula_sum            'C82 H104 Au2 F12 N2 O8 P6 Rh2 S4'
_chemical_formula_weight         2387.48
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   25.8321(8)
_cell_length_b                   8.9867(3)
_cell_length_c                   40.1396(18)
_cell_angle_alpha                90
_cell_angle_beta                 93.4312(17)
_cell_angle_gamma                90
_cell_volume                     9301.5(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9912
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      25.68
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.763
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.4891
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1015 before and 0.0564 after correction.
The Ratio of minimum to maximum transmission is 0.6562.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             4736
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_av_unetI/netI     0.0857
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            49516
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.696
_diffrn_reflns_theta_min         2.033
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12482
_reflns_number_total             17159
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.420
_refine_diff_density_min         -1.591
_refine_diff_density_rms         0.173
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1100
_refine_ls_number_reflns         17159
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0656
_refine_ls_restrained_S_all      1.089
_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)+94.4029P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1031
_refine_ls_wR_factor_ref         0.1109
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C40, C41, C42
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Others
 Sof(F10A)=Sof(F11A)=Sof(F12A)=1-FVAR(1)
 Sof(F10)=Sof(F11)=Sof(F12)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C6(H6), C7(H7), C8(H8), C9(H9), C20(H20), C21(H21),
 C22(H22), C26(H26), C27(H27), C28(H28), C34(H34), C35(H35), C36(H36), C41(H41),
  C40(H40), C44(H44), C48(H48), C47(H47), C46(H46), C45(H45), C59(H59),
 C60(H60), C61(H61), C73(H73), C74(H74), C75(H75), C68(H68), C70(H70), C69(H69)
4.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,
 H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C30(H30A,H30B,H30C), C31(H31A,
 H31B,H31C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C49(H49A,H49B,H49C),
 C50(H50A,H50B,H50C), C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C53(H53A,H53B,
 H53C), C55(H55A,H55B,H55C), C77(H77A,H77B,H77C), C78(H78A,H78B,H78C), C65(H65A,
 H65B,H65C), C66(H66A,H66B,H66C), C63(H63A,H63B,H63C), C15(H15A,H15B,H15C),
 C10(H10A,H10B,H10C), C56(H56A,H56B,H56C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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 0.39582(2) 0.38016(4) 0.63045(2) 0.02171(9) Uani 1 1 d . . . . .
Rh1 Rh 0.39237(3) 0.56143(8) 0.58136(2) 0.01970(17) Uani 1 1 d . . . . .
P1 P 0.31762(9) 0.4436(3) 0.56573(7) 0.0263(6) Uani 1 1 d . . . . .
P2 P 0.44763(9) 0.4000(3) 0.55959(6) 0.0229(5) Uani 1 1 d . . . . .
P3 P 0.39405(9) 0.1927(3) 0.66751(6) 0.0231(5) Uani 1 1 d . . . . .
C5 C 0.4328(3) 0.7922(9) 0.5667(2) 0.024(2) Uani 1 1 d . . . . .
C1 C 0.4471(4) 0.7402(10) 0.5998(2) 0.029(2) Uani 1 1 d . . . . .
H1 H 0.480587 0.708438 0.607990 0.034 Uiso 1 1 calc R U . . .
C2 C 0.4013(4) 0.7455(11) 0.6181(3) 0.036(3) Uani 1 1 d . . . . .
H2 H 0.399963 0.729657 0.641387 0.044 Uiso 1 1 calc R U . . .
C3 C 0.3586(4) 0.7780(10) 0.5960(3) 0.035(3) Uani 1 1 d . . . . .
H3 H 0.323186 0.775147 0.601174 0.042 Uiso 1 1 calc R U . . .
C4 C 0.3775(3) 0.8163(10) 0.5643(2) 0.025(2) Uani 1 1 d . . . . .
C6 C 0.3534(4) 0.8716(10) 0.5346(3) 0.033(2) Uani 1 1 d . . . . .
H6 H 0.317015 0.887426 0.532666 0.039 Uiso 1 1 calc R U . . .
C7 C 0.3832(5) 0.9027(11) 0.5083(3) 0.045(3) Uani 1 1 d . . . . .
H7 H 0.367197 0.941355 0.488180 0.054 Uiso 1 1 calc R U . . .
C8 C 0.4375(5) 0.8782(11) 0.5105(3) 0.041(3) Uani 1 1 d . . . . .
H8 H 0.457292 0.900181 0.491897 0.049 Uiso 1 1 calc R U . . .
C9 C 0.4618(4) 0.8234(10) 0.5390(3) 0.032(2) Uani 1 1 d . . . . .
H9 H 0.498150 0.806355 0.540168 0.038 Uiso 1 1 calc R U . . .
C11 C 0.2844(4) 0.5379(12) 0.5308(3) 0.050(3) Uani 1 1 d . . . . .
H11A H 0.274922 0.638687 0.537593 0.075 Uiso 1 1 calc R U . . .
H11B H 0.252913 0.482583 0.523776 0.075 Uiso 1 1 calc R U . . .
H11C H 0.307237 0.543634 0.512272 0.075 Uiso 1 1 calc R U . . .
C12 C 0.3154(4) 0.2510(11) 0.5515(3) 0.043(3) Uani 1 1 d . . . . .
H12A H 0.338250 0.238728 0.533114 0.065 Uiso 1 1 calc R U . . .
H12B H 0.279764 0.225335 0.543859 0.065 Uiso 1 1 calc R U . . .
H12C H 0.326909 0.185270 0.570003 0.065 Uiso 1 1 calc R U . . .
C13 C 0.4422(4) 0.4079(12) 0.5146(2) 0.044(3) Uani 1 1 d . . . . .
H13A H 0.409600 0.361442 0.506411 0.066 Uiso 1 1 calc R U . . .
H13B H 0.471424 0.354528 0.505656 0.066 Uiso 1 1 calc R U . . .
H13C H 0.442757 0.511969 0.507369 0.066 Uiso 1 1 calc R U . . .
C14 C 0.4494(4) 0.2006(10) 0.5672(3) 0.037(3) Uani 1 1 d . . . . .
H14A H 0.460443 0.181883 0.590624 0.056 Uiso 1 1 calc R U . . .
H14B H 0.473964 0.153853 0.552742 0.056 Uiso 1 1 calc R U . . .
H14C H 0.414764 0.158531 0.562385 0.056 Uiso 1 1 calc R U . . .
C16 C 0.3409(4) 0.0724(11) 0.6524(2) 0.034(2) Uani 1 1 d . . . . .
H16A H 0.307983 0.125962 0.653407 0.051 Uiso 1 1 calc R U . . .
H16B H 0.340216 -0.016811 0.666440 0.051 Uiso 1 1 calc R U . . .
H16C H 0.345907 0.043276 0.629307 0.051 Uiso 1 1 calc R U . . .
C17 C 0.4488(4) 0.0661(11) 0.6640(3) 0.033(2) Uani 1 1 d . . . . .
H17A H 0.447307 0.022426 0.641547 0.050 Uiso 1 1 calc R U . . .
H17B H 0.447053 -0.013324 0.680594 0.050 Uiso 1 1 calc R U . . .
H17C H 0.481316 0.121167 0.667828 0.050 Uiso 1 1 calc R U . . .
C18 C 0.3935(3) 0.2266(9) 0.7127(2) 0.021(2) Uani 1 1 d . . . . .
C19 C 0.3518(4) 0.1815(10) 0.7322(2) 0.025(2) Uani 1 1 d . . . . .
C20 C 0.3592(4) 0.1958(11) 0.7667(2) 0.034(2) Uani 1 1 d . . . . .
H20 H 0.332373 0.162039 0.779995 0.040 Uiso 1 1 calc R U . . .
C21 C 0.4028(4) 0.2554(12) 0.7827(3) 0.039(3) Uani 1 1 d . . . . .
H21 H 0.406501 0.260825 0.806398 0.047 Uiso 1 1 calc R U . . .
C22 C 0.4410(4) 0.3069(11) 0.7632(3) 0.038(3) Uani 1 1 d . . . . .
H22 H 0.471024 0.351984 0.773682 0.045 Uiso 1 1 calc R U . . .
C23 C 0.4370(4) 0.2950(11) 0.7289(2) 0.029(2) Uani 1 1 d . . . . .
C24 C 0.3010(3) 0.1333(12) 0.7181(2) 0.032(2) Uani 1 1 d . . . . .
C25 C 0.2658(4) 0.2367(14) 0.7043(3) 0.044(3) Uani 1 1 d . . . . .
C26 C 0.2182(5) 0.191(2) 0.6904(3) 0.069(4) Uani 1 1 d . . . . .
H26 H 0.194699 0.261931 0.680528 0.083 Uiso 1 1 calc R U . . .
C27 C 0.2051(5) 0.043(2) 0.6910(4) 0.081(5) Uani 1 1 d . . . . .
H27 H 0.172321 0.011241 0.681577 0.097 Uiso 1 1 calc R U . . .
C28 C 0.2390(5) -0.0603(18) 0.7049(3) 0.069(4) Uani 1 1 d . . . . .
H28 H 0.229323 -0.162267 0.704967 0.082 Uiso 1 1 calc R U . . .
C29 C 0.2867(4) -0.0188(14) 0.7189(3) 0.047(3) Uani 1 1 d . . . . .
C30 C 0.2799(5) 0.4017(13) 0.7026(3) 0.057(4) Uani 1 1 d . . . . .
H30A H 0.292599 0.436120 0.724805 0.085 Uiso 1 1 calc R U . . .
H30B H 0.249153 0.459114 0.695130 0.085 Uiso 1 1 calc R U . . .
H30C H 0.307062 0.415460 0.686867 0.085 Uiso 1 1 calc R U . . .
C31 C 0.3245(5) -0.1346(13) 0.7332(3) 0.058(4) Uani 1 1 d . . . . .
H31A H 0.359001 -0.115347 0.725291 0.088 Uiso 1 1 calc R U . . .
H31B H 0.312844 -0.233876 0.725993 0.088 Uiso 1 1 calc R U . . .
H31C H 0.326053 -0.129448 0.757661 0.088 Uiso 1 1 calc R U . . .
C32 C 0.4785(4) 0.3677(11) 0.7099(2) 0.030(2) Uani 1 1 d . . . . .
C33 C 0.5270(4) 0.2992(12) 0.7069(3) 0.040(3) Uani 1 1 d . . . . .
C34 C 0.5630(5) 0.3669(14) 0.6870(3) 0.049(3) Uani 1 1 d . . . . .
H34 H 0.595380 0.320398 0.683832 0.059 Uiso 1 1 calc R U . . .
C35 C 0.5511(4) 0.5014(14) 0.6722(3) 0.047(3) Uani 1 1 d . . . . .
H35 H 0.575294 0.544796 0.658169 0.056 Uiso 1 1 calc R U . . .
C36 C 0.5060(5) 0.5748(12) 0.6768(2) 0.042(3) Uani 1 1 d . . . . .
H36 H 0.499807 0.669317 0.666715 0.051 Uiso 1 1 calc R U . . .
C37 C 0.4692(4) 0.5112(10) 0.6961(2) 0.031(2) Uani 1 1 d . . . . .
C38 C 0.5408(4) 0.1554(13) 0.7244(3) 0.060(4) Uani 1 1 d . . . . .
H38A H 0.550746 0.175322 0.747872 0.091 Uiso 1 1 calc R U . . .
H38B H 0.569871 0.108533 0.713751 0.091 Uiso 1 1 calc R U . . .
H38C H 0.510788 0.088473 0.722826 0.091 Uiso 1 1 calc R U . . .
C39 C 0.4207(4) 0.5933(11) 0.7043(3) 0.042(3) Uani 1 1 d . . . . .
H39A H 0.390548 0.546842 0.692506 0.063 Uiso 1 1 calc R U . . .
H39B H 0.423234 0.697396 0.697299 0.063 Uiso 1 1 calc R U . . .
H39C H 0.416688 0.589093 0.728414 0.063 Uiso 1 1 calc R U . . .
Au2 Au 0.88251(2) 0.19088(4) 0.62045(2) 0.02389(10) Uani 1 1 d . . . . .
Rh2 Rh 0.86956(3) 0.01195(8) 0.57137(2) 0.02424(18) Uani 1 1 d . . . . .
P4 P 0.93612(10) 0.1393(3) 0.55127(7) 0.0293(6) Uani 1 1 d . . . . .
P5 P 0.80433(10) 0.1643(3) 0.55467(7) 0.0312(6) Uani 1 1 d . . . . .
P6 P 0.88859(10) 0.3748(3) 0.65863(6) 0.0257(6) Uani 1 1 d . . . . .
C42 C 0.8964(4) -0.2359(10) 0.5585(3) 0.035(2) Uani 1 1 d . U . . .
C41 C 0.9071(5) -0.1935(10) 0.5931(3) 0.047(3) Uani 1 1 d . U . . .
H41 H 0.940558 -0.184250 0.604051 0.056 Uiso 1 1 calc R U . . .
C40 C 0.8596(5) -0.1684(11) 0.6078(3) 0.046(3) Uani 1 1 d . U . . .
H40 H 0.855504 -0.147418 0.630725 0.055 Uiso 1 1 calc R U . . .
C44 C 0.8198(4) -0.1797(10) 0.5830(3) 0.035(3) Uani 1 1 d . . . . .
H44 H 0.784307 -0.158181 0.585778 0.042 Uiso 1 1 calc R U . . .
C43 C 0.8411(4) -0.2296(10) 0.5522(3) 0.031(2) Uani 1 1 d . . . . .
C48 C 0.8198(4) -0.2676(10) 0.5208(3) 0.037(3) Uani 1 1 d . . . . .
H48 H 0.783401 -0.261115 0.516052 0.044 Uiso 1 1 calc R U . . .
C47 C 0.8516(5) -0.3148(12) 0.4966(3) 0.046(3) Uani 1 1 d . . . . .
H47 H 0.836940 -0.342504 0.475262 0.055 Uiso 1 1 calc R U . . .
C46 C 0.9054(5) -0.3224(12) 0.5031(3) 0.054(3) Uani 1 1 d . . . . .
H46 H 0.926605 -0.354114 0.485956 0.064 Uiso 1 1 calc R U . . .
C45 C 0.9280(5) -0.2854(11) 0.5335(3) 0.048(3) Uani 1 1 d . . . . .
H45 H 0.964517 -0.292914 0.537737 0.058 Uiso 1 1 calc R U . . .
C49 C 0.9985(4) 0.0667(13) 0.5660(3) 0.047(3) Uani 1 1 d . . . . .
H49A H 1.005066 0.091737 0.589676 0.071 Uiso 1 1 calc R U . . .
H49B H 1.025677 0.110710 0.553104 0.071 Uiso 1 1 calc R U . . .
H49C H 0.998755 -0.041648 0.563331 0.071 Uiso 1 1 calc R U . . .
C50 C 0.9473(4) 0.3370(11) 0.5564(3) 0.049(3) Uani 1 1 d . . . . .
H50A H 0.916574 0.391839 0.547673 0.073 Uiso 1 1 calc R U . . .
H50B H 0.977319 0.366446 0.544145 0.073 Uiso 1 1 calc R U . . .
H50C H 0.953915 0.359810 0.580139 0.073 Uiso 1 1 calc R U . . .
C51 C 0.9363(5) 0.1183(14) 0.5061(3) 0.053(3) Uani 1 1 d . . . . .
H51A H 0.931788 0.013140 0.500175 0.079 Uiso 1 1 calc R U . . .
H51B H 0.969380 0.154103 0.498404 0.079 Uiso 1 1 calc R U . . .
H51C H 0.907817 0.176502 0.495413 0.079 Uiso 1 1 calc R U . . .
C52 C 0.8139(4) 0.3595(11) 0.5444(3) 0.046(3) Uani 1 1 d . . . . .
H52A H 0.833015 0.409056 0.563095 0.069 Uiso 1 1 calc R U . . .
H52B H 0.780159 0.407737 0.540165 0.069 Uiso 1 1 calc R U . . .
H52C H 0.833793 0.366616 0.524408 0.069 Uiso 1 1 calc R U . . .
C53 C 0.7681(5) 0.0996(13) 0.5175(3) 0.061(4) Uani 1 1 d . . . . .
H53A H 0.790243 0.102917 0.498574 0.092 Uiso 1 1 calc R U . . .
H53B H 0.737816 0.163762 0.512977 0.092 Uiso 1 1 calc R U . . .
H53C H 0.756575 -0.002859 0.520961 0.092 Uiso 1 1 calc R U . . .
C55 C 0.8389(4) 0.5077(12) 0.6463(3) 0.041(3) Uani 1 1 d . . . . .
H55A H 0.842508 0.536836 0.623000 0.062 Uiso 1 1 calc R U . . .
H55B H 0.842527 0.595837 0.660618 0.062 Uiso 1 1 calc R U . . .
H55C H 0.804735 0.462857 0.648497 0.062 Uiso 1 1 calc R U . . .
C57 C 0.8888(3) 0.3353(10) 0.7037(2) 0.022(2) Uani 1 1 d . . . . .
C58 C 0.9312(4) 0.2598(11) 0.7185(2) 0.031(2) Uani 1 1 d . . . . .
C59 C 0.9365(4) 0.2396(12) 0.7529(3) 0.040(3) Uani 1 1 d . . . . .
H59 H 0.965998 0.189320 0.762639 0.048 Uiso 1 1 calc R U . . .
C60 C 0.8991(5) 0.2922(12) 0.7728(3) 0.044(3) Uani 1 1 d . . . . .
H60 H 0.903398 0.282480 0.796410 0.052 Uiso 1 1 calc R U . . .
C61 C 0.8559(4) 0.3584(12) 0.7585(3) 0.037(3) Uani 1 1 d . . . . .
H61 H 0.829833 0.392929 0.772358 0.044 Uiso 1 1 calc R U . . .
C62 C 0.8490(4) 0.3767(11) 0.7239(3) 0.032(2) Uani 1 1 d . . . . .
C71 C 0.7965(4) 0.4347(13) 0.7106(3) 0.037(3) Uani 1 1 d . . . . .
C72 C 0.7612(4) 0.3341(14) 0.6961(3) 0.047(3) Uani 1 1 d . . . . .
C73 C 0.7140(5) 0.3837(19) 0.6828(4) 0.076(5) Uani 1 1 d . . . . .
H73 H 0.689663 0.315885 0.672637 0.091 Uiso 1 1 calc R U . . .
C74 C 0.7025(5) 0.532(2) 0.6845(4) 0.087(5) Uani 1 1 d . . . . .
H74 H 0.670527 0.567136 0.674584 0.105 Uiso 1 1 calc R U . . .
C75 C 0.7363(5) 0.6296(18) 0.7001(4) 0.077(5) Uani 1 1 d . . . . .
H75 H 0.726592 0.731144 0.701846 0.093 Uiso 1 1 calc R U . . .
C76 C 0.7840(4) 0.5844(13) 0.7133(3) 0.048(3) Uani 1 1 d . . . . .
C77 C 0.7731(5) 0.1695(14) 0.6938(3) 0.064(4) Uani 1 1 d . . . . .
H77A H 0.799162 0.153700 0.677391 0.095 Uiso 1 1 calc R U . . .
H77B H 0.741387 0.115202 0.686902 0.095 Uiso 1 1 calc R U . . .
H77C H 0.786579 0.133109 0.715674 0.095 Uiso 1 1 calc R U . . .
C78 C 0.8209(5) 0.6962(13) 0.7296(3) 0.061(4) Uani 1 1 d . . . . .
H78A H 0.822163 0.683040 0.753834 0.092 Uiso 1 1 calc R U . . .
H78B H 0.808840 0.797056 0.723915 0.092 Uiso 1 1 calc R U . . .
H78C H 0.855553 0.681319 0.721515 0.092 Uiso 1 1 calc R U . . .
S1 S 0.62798(12) 0.9021(3) 0.62546(7) 0.0423(7) Uani 1 1 d . . . . .
S2 S 0.65096(10) 0.7615(3) 0.56624(7) 0.0342(6) Uani 1 1 d . . . . .
F1 F 0.5780(4) 1.0606(10) 0.5798(2) 0.103(3) Uani 1 1 d . . . . .
F2 F 0.6341(3) 1.1799(8) 0.6088(3) 0.098(3) Uani 1 1 d . . . . .
F3 F 0.5634(3) 1.1225(9) 0.6285(2) 0.088(3) Uani 1 1 d . . . . .
F4 F 0.7176(3) 0.5627(7) 0.5898(2) 0.070(2) Uani 1 1 d . . . . .
F5 F 0.6601(3) 0.4793(7) 0.55413(19) 0.075(2) Uani 1 1 d . . . . .
F6 F 0.6401(3) 0.5258(7) 0.60372(19) 0.064(2) Uani 1 1 d . . . . .
O1 O 0.5848(4) 0.8061(10) 0.6285(2) 0.077(3) Uani 1 1 d . . . . .
O2 O 0.6570(4) 0.9455(11) 0.6547(2) 0.084(3) Uani 1 1 d . . . . .
O3 O 0.5974(3) 0.7532(8) 0.55673(19) 0.049(2) Uani 1 1 d . . . . .
O4 O 0.6866(3) 0.7921(9) 0.5415(2) 0.061(2) Uani 1 1 d . . . . .
N1 N 0.6667(3) 0.8580(9) 0.5978(2) 0.034(2) Uani 1 1 d . . . . .
C79 C 0.5991(5) 1.0732(14) 0.6096(3) 0.055(3) Uani 1 1 d . . . . .
C80 C 0.6683(5) 0.5722(13) 0.5792(3) 0.045(3) Uani 1 1 d . . . . .
S3 S 0.91624(15) 0.3256(4) 0.40363(15) 0.0853(15) Uani 1 1 d . . . . .
F7 F 0.8666(4) 0.5716(11) 0.4113(3) 0.143(5) Uani 1 1 d . . . . .
F8 F 0.8774(5) 0.5210(11) 0.3631(3) 0.156(6) Uani 1 1 d . . . . .
F9 F 0.9397(3) 0.5966(9) 0.3932(3) 0.099(3) Uani 1 1 d . . . . .
O5 O 0.9530(6) 0.2854(15) 0.3801(5) 0.182(8) Uani 1 1 d . . . . .
O6 O 0.9344(5) 0.3370(17) 0.4360(4) 0.155(7) Uani 1 1 d . . . . .
C81 C 0.8993(6) 0.5141(14) 0.3920(4) 0.062(4) Uani 1 1 d . . . . .
S4 S 0.82125(14) 0.1858(4) 0.40648(13) 0.0788(13) Uani 1 1 d . . . . .
F10 F 0.8346(8) -0.0861(12) 0.3891(3) 0.118(8) Uani 0.81(2) 1 d . . P A 1
F11 F 0.7969(7) -0.0594(15) 0.4335(5) 0.130(7) Uani 0.81(2) 1 d . . P A 1
F12 F 0.8769(6) -0.0330(12) 0.4332(5) 0.121(8) Uani 0.81(2) 1 d . . P A 1
O7 O 0.8294(9) 0.2579(16) 0.4381(5) 0.246(12) Uani 1 1 d . . . . .
O8 O 0.7748(4) 0.1965(12) 0.3927(4) 0.157(7) Uani 1 1 d . . . . .
N2 N 0.8613(9) 0.219(2) 0.3841(7) 0.237(15) Uani 1 1 d . . . . .
C82 C 0.8334(5) -0.0082(15) 0.4151(4) 0.058(4) Uani 1 1 d . . . . .
C54 C 0.9630(4) 0.0490(11) 0.6844(2) 0.034(3) Uani 1 1 d . . . . .
C64 C 0.9733(4) 0.1889(11) 0.6990(2) 0.030(2) Uani 1 1 d . . . . .
C67 C 1.0220(4) 0.2533(12) 0.6974(3) 0.040(3) Uani 1 1 d . . . . .
C68 C 1.0590(5) 0.1803(15) 0.6787(3) 0.053(3) Uani 1 1 d . . . . .
H68 H 1.092531 0.222340 0.677274 0.063 Uiso 1 1 calc R U . . .
C65 C 0.9135(4) -0.0347(11) 0.6911(3) 0.044(3) Uani 1 1 d . . . . .
H65A H 0.909769 -0.040897 0.715187 0.066 Uiso 1 1 calc R U . . .
H65B H 0.915108 -0.135319 0.681764 0.066 Uiso 1 1 calc R U . . .
H65C H 0.883608 0.018117 0.680526 0.066 Uiso 1 1 calc R U . . .
C66 C 1.0367(4) 0.3937(13) 0.7159(3) 0.057(4) Uani 1 1 d . . . . .
H66A H 1.010568 0.470432 0.710600 0.086 Uiso 1 1 calc R U . . .
H66B H 1.070580 0.428061 0.709262 0.086 Uiso 1 1 calc R U . . .
H66C H 1.038570 0.374110 0.739979 0.086 Uiso 1 1 calc R U . . .
C70 C 1.0003(5) -0.0189(12) 0.6659(2) 0.042(3) Uani 1 1 d . . . . .
H70 H 0.993617 -0.112561 0.655556 0.050 Uiso 1 1 calc R U . . .
C69 C 1.0472(5) 0.0527(16) 0.6630(3) 0.056(4) Uani 1 1 d . . . . .
H69 H 1.071905 0.009563 0.649243 0.067 Uiso 1 1 calc R U . . .
C63 C 0.2688(4) 0.4408(12) 0.5968(3) 0.043(3) Uani 1 1 d . . . . .
H63A H 0.279848 0.372828 0.614952 0.065 Uiso 1 1 calc R U . . .
H63B H 0.235613 0.406953 0.586347 0.065 Uiso 1 1 calc R U . . .
H63C H 0.264692 0.541237 0.605818 0.065 Uiso 1 1 calc R U . . .
C15 C 0.7526(4) 0.1772(12) 0.5839(3) 0.054(3) Uani 1 1 d . . . . .
H15A H 0.742265 0.076879 0.590409 0.081 Uiso 1 1 calc R U . . .
H15B H 0.722645 0.228737 0.573078 0.081 Uiso 1 1 calc R U . . .
H15C H 0.765166 0.232765 0.603743 0.081 Uiso 1 1 calc R U . . .
C10 C 0.5155(4) 0.4444(11) 0.5701(3) 0.039(3) Uani 1 1 d . . . . .
H10A H 0.522499 0.547187 0.563596 0.058 Uiso 1 1 calc R U . . .
H10B H 0.537724 0.376611 0.558228 0.058 Uiso 1 1 calc R U . . .
H10C H 0.522888 0.433188 0.594239 0.058 Uiso 1 1 calc R U . . .
F10A F 0.7985(13) -0.097(4) 0.3996(9) 0.032(11) Uiso 0.19(2) 1 d . . P A 2
F11A F 0.834(2) -0.032(5) 0.4435(11) 0.057(15) Uiso 0.19(2) 1 d . . P A 2
F12A F 0.8814(16) -0.051(4) 0.4034(12) 0.050(13) Uiso 0.19(2) 1 d . . P A 2
C56 C 0.9456(4) 0.4901(11) 0.6543(3) 0.038(3) Uani 1 1 d . . . . .
H56A H 0.976812 0.428067 0.656684 0.057 Uiso 1 1 calc R U . . .
H56B H 0.947184 0.566859 0.671722 0.057 Uiso 1 1 calc R U . . .
H56C H 0.943570 0.537559 0.632325 0.057 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Rh1 2.5541(8) . ?
Au1 P3 2.250(3) . ?
Rh1 P1 2.258(3) . ?
Rh1 P2 2.248(2) . ?
Rh1 C5 2.411(9) . ?
Rh1 C1 2.237(9) . ?
Rh1 C2 2.218(10) . ?
Rh1 C3 2.226(9) . ?
Rh1 C4 2.415(9) . ?
P1 C11 1.809(10) . ?
P1 C12 1.823(10) . ?
P1 C63 1.827(10) . ?
P2 C13 1.803(10) . ?
P2 C14 1.818(9) . ?
P2 C10 1.824(10) . ?
P3 C16 1.823(9) . ?
P3 C17 1.827(9) . ?
P3 C18 1.841(9) . ?
C5 C1 1.436(13) . ?
C5 C4 1.442(12) . ?
C5 C9 1.404(13) . ?
C1 H1 0.9500 . ?
C1 C2 1.430(14) . ?
C2 H2 0.9500 . ?
C2 C3 1.404(14) . ?
C3 H3 0.9500 . ?
C3 C4 1.433(13) . ?
C4 C6 1.403(13) . ?
C6 H6 0.9500 . ?
C6 C7 1.372(15) . ?
C7 H7 0.9500 . ?
C7 C8 1.417(15) . ?
C8 H8 0.9500 . ?
C8 C9 1.364(14) . ?
C9 H9 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.429(12) . ?
C18 C23 1.406(13) . ?
C19 C20 1.391(13) . ?
C19 C24 1.461(13) . ?
C20 H20 0.9500 . ?
C20 C21 1.372(14) . ?
C21 H21 0.9500 . ?
C21 C22 1.377(14) . ?
C22 H22 0.9500 . ?
C22 C23 1.378(13) . ?
C23 C32 1.502(13) . ?
C24 C25 1.392(14) . ?
C24 C29 1.417(15) . ?
C25 C26 1.381(17) . ?
C25 C30 1.529(16) . ?
C26 H26 0.9500 . ?
C26 C27 1.38(2) . ?
C27 H27 0.9500 . ?
C27 C28 1.369(19) . ?
C28 H28 0.9500 . ?
C28 C29 1.375(16) . ?
C29 C31 1.516(16) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.407(14) . ?
C32 C37 1.418(14) . ?
C33 C34 1.401(15) . ?
C33 C38 1.503(15) . ?
C34 H34 0.9500 . ?
C34 C35 1.373(16) . ?
C35 H35 0.9500 . ?
C35 C36 1.359(15) . ?
C36 H36 0.9500 . ?
C36 C37 1.387(13) . ?
C37 C39 1.508(14) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
Au2 Rh2 2.5494(8) . ?
Au2 P6 2.253(3) . ?
Rh2 P4 2.255(3) . ?
Rh2 P5 2.242(3) . ?
Rh2 C42 2.398(10) . ?
Rh2 C41 2.238(10) . ?
Rh2 C40 2.209(10) . ?
Rh2 C44 2.216(9) . ?
Rh2 C43 2.403(9) . ?
P4 C49 1.806(10) . ?
P4 C50 1.810(10) . ?
P4 C51 1.823(11) . ?
P5 C52 1.822(10) . ?
P5 C53 1.808(11) . ?
P5 C15 1.834(11) . ?
P6 C55 1.800(10) . ?
P6 C57 1.845(9) . ?
P6 C56 1.817(10) . ?
C42 C41 1.450(15) . ?
C42 C43 1.436(14) . ?
C42 C45 1.404(15) . ?
C41 H41 0.9500 . ?
C41 C40 1.411(16) . ?
C40 H40 0.9500 . ?
C40 C44 1.391(14) . ?
C44 H44 0.9500 . ?
C44 C43 1.453(14) . ?
C43 C48 1.388(14) . ?
C48 H48 0.9500 . ?
C48 C47 1.377(15) . ?
C47 H47 0.9500 . ?
C47 C46 1.399(16) . ?
C46 H46 0.9500 . ?
C46 C45 1.362(16) . ?
C45 H45 0.9500 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
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 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C57 C58 1.392(13) . ?
C57 C62 1.396(13) . ?
C58 C59 1.390(13) . ?
C58 C64 1.519(13) . ?
C59 H59 0.9500 . ?
C59 C60 1.374(14) . ?
C60 H60 0.9500 . ?
C60 C61 1.361(14) . ?
C61 H61 0.9500 . ?
C61 C62 1.402(14) . ?
C62 C71 1.520(14) . ?
C71 C72 1.386(15) . ?
C71 C76 1.390(15) . ?
C72 C73 1.376(17) . ?
C72 C77 1.515(16) . ?
C73 H73 0.9500 . ?
C73 C74 1.36(2) . ?
C74 H74 0.9500 . ?
C74 C75 1.36(2) . ?
C75 H75 0.9500 . ?
C75 C76 1.374(16) . ?
C76 C78 1.506(16) . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
S1 O1 1.421(9) . ?
S1 O2 1.410(9) . ?
S1 N1 1.587(9) . ?
S1 C79 1.809(13) . ?
S2 O3 1.415(7) . ?
S2 O4 1.420(8) . ?
S2 N1 1.569(8) . ?
S2 C80 1.827(12) . ?
F1 C79 1.289(14) . ?
F2 C79 1.319(14) . ?
F3 C79 1.306(13) . ?
F4 C80 1.322(13) . ?
F5 C80 1.316(13) . ?
F6 C80 1.324(13) . ?
S3 O5 1.426(15) . ?
S3 O6 1.359(15) . ?
S3 C81 1.805(14) . ?
S3 N2 1.85(3) . ?
F7 C81 1.287(16) . ?
F8 C81 1.261(16) . ?
F9 C81 1.278(14) . ?
S4 O7 1.431(17) . ?
S4 O8 1.294(11) . ?
S4 N2 1.443(17) . ?
S4 C82 1.802(14) . ?
F10 C82 1.259(17) . ?
F11 C82 1.316(18) . ?
F12 C82 1.319(18) . ?
C82 F10A 1.33(4) . ?
C82 F11A 1.16(4) . ?
C82 F12A 1.40(4) . ?
C54 C64 1.404(14) . ?
C54 C65 1.522(14) . ?
C54 C70 1.391(14) . ?
C64 C67 1.390(14) . ?
C67 C68 1.411(15) . ?
C67 C66 1.501(15) . ?
C68 H68 0.9500 . ?
C68 C69 1.336(17) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C70 H70 0.9500 . ?
C70 C69 1.384(16) . ?
C69 H69 0.9500 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?

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
P3 Au1 Rh1 170.61(7) . . ?
P1 Rh1 Au1 84.55(7) . . ?
P1 Rh1 C5 135.3(2) . . ?
P1 Rh1 C4 104.3(2) . . ?
P2 Rh1 Au1 83.95(7) . . ?
P2 Rh1 P1 98.16(9) . . ?
P2 Rh1 C5 99.5(2) . . ?
P2 Rh1 C4 126.5(2) . . ?
C5 Rh1 Au1 137.9(2) . . ?
C5 Rh1 C4 34.8(3) . . ?
C1 Rh1 Au1 102.2(2) . . ?
C1 Rh1 P1 160.4(3) . . ?
C1 Rh1 P2 100.9(3) . . ?
C1 Rh1 C5 35.8(3) . . ?
C1 Rh1 C4 60.0(3) . . ?
C2 Rh1 Au1 88.1(3) . . ?
C2 Rh1 P1 126.0(3) . . ?
C2 Rh1 P2 134.1(3) . . ?
C2 Rh1 C5 59.4(4) . . ?
C2 Rh1 C1 37.4(4) . . ?
C2 Rh1 C3 36.8(4) . . ?
C2 Rh1 C4 59.3(3) . . ?
C3 Rh1 Au1 110.5(3) . . ?
C3 Rh1 P1 98.1(3) . . ?
C3 Rh1 P2 159.2(3) . . ?
C3 Rh1 C5 59.7(3) . . ?
C3 Rh1 C1 62.3(4) . . ?
C3 Rh1 C4 35.7(3) . . ?
C4 Rh1 Au1 145.3(2) . . ?
C11 P1 Rh1 110.7(4) . . ?
C11 P1 C12 101.4(5) . . ?
C11 P1 C63 102.7(5) . . ?
C12 P1 Rh1 122.9(4) . . ?
C12 P1 C63 101.0(5) . . ?
C63 P1 Rh1 115.5(4) . . ?
C13 P2 Rh1 110.5(4) . . ?
C13 P2 C14 101.9(5) . . ?
C13 P2 C10 103.8(5) . . ?
C14 P2 Rh1 125.5(3) . . ?
C14 P2 C10 99.3(5) . . ?
C10 P2 Rh1 113.1(3) . . ?
C16 P3 Au1 105.6(3) . . ?
C16 P3 C17 100.1(5) . . ?
C16 P3 C18 112.1(4) . . ?
C17 P3 Au1 111.6(3) . . ?
C17 P3 C18 103.4(4) . . ?
C18 P3 Au1 122.0(3) . . ?
C1 C5 Rh1 65.5(5) . . ?
C1 C5 C4 108.1(8) . . ?
C4 C5 Rh1 72.8(5) . . ?
C9 C5 Rh1 128.6(6) . . ?
C9 C5 C1 132.6(9) . . ?
C9 C5 C4 119.3(9) . . ?
Rh1 C1 H1 116.3 . . ?
C5 C1 Rh1 78.7(5) . . ?
C5 C1 H1 126.6 . . ?
C2 C1 Rh1 70.6(5) . . ?
C2 C1 C5 106.7(8) . . ?
C2 C1 H1 126.6 . . ?
Rh1 C2 H2 122.3 . . ?
C1 C2 Rh1 72.0(5) . . ?
C1 C2 H2 125.5 . . ?
C3 C2 Rh1 71.9(5) . . ?
C3 C2 C1 109.1(9) . . ?
C3 C2 H2 125.5 . . ?
Rh1 C3 H3 115.6 . . ?
C2 C3 Rh1 71.3(6) . . ?
C2 C3 H3 125.9 . . ?
C2 C3 C4 108.3(9) . . ?
C4 C3 Rh1 79.4(5) . . ?
C4 C3 H3 125.9 . . ?
C5 C4 Rh1 72.5(5) . . ?
C3 C4 Rh1 65.0(5) . . ?
C3 C4 C5 107.1(8) . . ?
C6 C4 Rh1 129.3(6) . . ?
C6 C4 C5 119.8(9) . . ?
C6 C4 C3 133.1(9) . . ?
C4 C6 H6 120.5 . . ?
C7 C6 C4 119.0(10) . . ?
C7 C6 H6 120.5 . . ?
C6 C7 H7 119.4 . . ?
C6 C7 C8 121.2(10) . . ?
C8 C7 H7 119.4 . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.8(10) . . ?
C9 C8 H8 119.6 . . ?
C5 C9 H9 120.1 . . ?
C8 C9 C5 119.7(10) . . ?
C8 C9 H9 120.1 . . ?
P1 C11 H11A 109.5 . . ?
P1 C11 H11B 109.5 . . ?
P1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P1 C12 H12A 109.5 . . ?
P1 C12 H12B 109.5 . . ?
P1 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P2 C13 H13A 109.5 . . ?
P2 C13 H13B 109.5 . . ?
P2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P2 C14 H14A 109.5 . . ?
P2 C14 H14B 109.5 . . ?
P2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
P3 C16 H16A 109.5 . . ?
P3 C16 H16B 109.5 . . ?
P3 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
P3 C17 H17A 109.5 . . ?
P3 C17 H17B 109.5 . . ?
P3 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 P3 123.0(7) . . ?
C23 C18 P3 118.3(7) . . ?
C23 C18 C19 118.6(8) . . ?
C18 C19 C24 124.1(9) . . ?
C20 C19 C18 117.0(9) . . ?
C20 C19 C24 118.7(9) . . ?
C19 C20 H20 117.8 . . ?
C21 C20 C19 124.3(10) . . ?
C21 C20 H20 117.8 . . ?
C20 C21 H21 121.3 . . ?
C20 C21 C22 117.4(10) . . ?
C22 C21 H21 121.3 . . ?
C21 C22 H22 119.0 . . ?
C21 C22 C23 121.9(10) . . ?
C23 C22 H22 119.0 . . ?
C18 C23 C32 122.0(8) . . ?
C22 C23 C18 120.4(9) . . ?
C22 C23 C32 117.5(9) . . ?
C25 C24 C19 120.4(10) . . ?
C25 C24 C29 119.2(10) . . ?
C29 C24 C19 120.4(9) . . ?
C24 C25 C30 120.9(10) . . ?
C26 C25 C24 120.5(13) . . ?
C26 C25 C30 118.5(12) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 C25 119.6(14) . . ?
C27 C26 H26 120.2 . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.6(13) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 119.4 . . ?
C27 C28 C29 121.3(14) . . ?
C29 C28 H28 119.4 . . ?
C24 C29 C31 120.5(10) . . ?
C28 C29 C24 118.8(12) . . ?
C28 C29 C31 120.6(12) . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C23 121.3(9) . . ?
C33 C32 C37 119.7(9) . . ?
C37 C32 C23 118.9(9) . . ?
C32 C33 C38 121.6(10) . . ?
C34 C33 C32 118.9(11) . . ?
C34 C33 C38 119.5(10) . . ?
C33 C34 H34 120.4 . . ?
C35 C34 C33 119.3(11) . . ?
C35 C34 H34 120.4 . . ?
C34 C35 H35 118.6 . . ?
C36 C35 C34 122.7(10) . . ?
C36 C35 H35 118.6 . . ?
C35 C36 H36 120.1 . . ?
C35 C36 C37 119.8(11) . . ?
C37 C36 H36 120.1 . . ?
C32 C37 C39 119.0(9) . . ?
C36 C37 C32 119.2(10) . . ?
C36 C37 C39 121.8(10) . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
P6 Au2 Rh2 171.44(7) . . ?
P4 Rh2 Au2 83.62(7) . . ?
P4 Rh2 C42 99.1(2) . . ?
P4 Rh2 C43 124.7(3) . . ?
P5 Rh2 Au2 84.69(7) . . ?
P5 Rh2 P4 99.13(10) . . ?
P5 Rh2 C42 136.4(3) . . ?
P5 Rh2 C43 104.2(3) . . ?
C42 Rh2 Au2 136.6(3) . . ?
C42 Rh2 C43 34.8(3) . . ?
C41 Rh2 Au2 100.7(3) . . ?
C41 Rh2 P4 103.7(3) . . ?
C41 Rh2 P5 157.0(3) . . ?
C41 Rh2 C42 36.3(4) . . ?
C41 Rh2 C43 59.8(4) . . ?
C40 Rh2 Au2 88.0(3) . . ?
C40 Rh2 P4 137.0(3) . . ?
C40 Rh2 P5 122.1(3) . . ?
C40 Rh2 C42 60.5(4) . . ?
C40 Rh2 C41 37.0(4) . . ?
C40 Rh2 C44 36.7(4) . . ?
C40 Rh2 C43 60.2(4) . . ?
C44 Rh2 Au2 112.2(3) . . ?
C44 Rh2 P4 159.2(3) . . ?
C44 Rh2 P5 95.9(3) . . ?
C44 Rh2 C42 60.1(4) . . ?
C44 Rh2 C41 61.3(4) . . ?
C44 Rh2 C43 36.4(4) . . ?
C43 Rh2 Au2 147.2(3) . . ?
C49 P4 Rh2 112.6(4) . . ?
C49 P4 C50 100.6(5) . . ?
C49 P4 C51 103.5(6) . . ?
C50 P4 Rh2 125.2(4) . . ?
C50 P4 C51 101.8(6) . . ?
C51 P4 Rh2 110.5(4) . . ?
C52 P5 Rh2 123.0(4) . . ?
C52 P5 C15 101.4(5) . . ?
C53 P5 Rh2 113.1(4) . . ?
C53 P5 C52 101.2(5) . . ?
C53 P5 C15 100.7(6) . . ?
C15 P5 Rh2 114.3(4) . . ?
C55 P6 Au2 106.3(4) . . ?
C55 P6 C57 111.0(4) . . ?
C55 P6 C56 99.4(5) . . ?
C57 P6 Au2 121.5(3) . . ?
C56 P6 Au2 112.2(4) . . ?
C56 P6 C57 104.4(4) . . ?
C41 C42 Rh2 65.9(5) . . ?
C43 C42 Rh2 72.8(5) . . ?
C43 C42 C41 106.8(10) . . ?
C45 C42 Rh2 129.5(7) . . ?
C45 C42 C41 132.9(11) . . ?
C45 C42 C43 120.2(10) . . ?
Rh2 C41 H41 118.0 . . ?
C42 C41 Rh2 77.9(6) . . ?
C42 C41 H41 125.6 . . ?
C40 C41 Rh2 70.4(6) . . ?
C40 C41 C42 108.8(10) . . ?
C40 C41 H41 125.6 . . ?
Rh2 C40 H40 121.3 . . ?
C41 C40 Rh2 72.6(6) . . ?
C41 C40 H40 125.9 . . ?
C44 C40 Rh2 71.9(6) . . ?
C44 C40 C41 108.2(10) . . ?
C44 C40 H40 125.9 . . ?
Rh2 C44 H44 116.3 . . ?
C40 C44 Rh2 71.4(6) . . ?
C40 C44 H44 125.4 . . ?
C40 C44 C43 109.3(10) . . ?
C43 C44 Rh2 78.8(5) . . ?
C43 C44 H44 125.4 . . ?
C42 C43 Rh2 72.4(5) . . ?
C42 C43 C44 106.6(9) . . ?
C44 C43 Rh2 64.8(5) . . ?
C48 C43 Rh2 127.6(7) . . ?
C48 C43 C42 119.0(10) . . ?
C48 C43 C44 134.3(10) . . ?
C43 C48 H48 120.1 . . ?
C47 C48 C43 119.7(10) . . ?
C47 C48 H48 120.1 . . ?
C48 C47 H47 119.6 . . ?
C48 C47 C46 120.7(11) . . ?
C46 C47 H47 119.6 . . ?
C47 C46 H46 119.2 . . ?
C45 C46 C47 121.6(12) . . ?
C45 C46 H46 119.2 . . ?
C42 C45 H45 120.7 . . ?
C46 C45 C42 118.7(11) . . ?
C46 C45 H45 120.7 . . ?
P4 C49 H49A 109.5 . . ?
P4 C49 H49B 109.5 . . ?
P4 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
P4 C50 H50A 109.5 . . ?
P4 C50 H50B 109.5 . . ?
P4 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
P4 C51 H51A 109.5 . . ?
P4 C51 H51B 109.5 . . ?
P4 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
P5 C52 H52A 109.5 . . ?
P5 C52 H52B 109.5 . . ?
P5 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
P5 C53 H53A 109.5 . . ?
P5 C53 H53B 109.5 . . ?
P5 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
P6 C55 H55A 109.5 . . ?
P6 C55 H55B 109.5 . . ?
P6 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C58 C57 P6 117.9(7) . . ?
C58 C57 C62 118.1(9) . . ?
C62 C57 P6 123.9(7) . . ?
C57 C58 C64 123.6(9) . . ?
C59 C58 C57 121.0(9) . . ?
C59 C58 C64 115.4(9) . . ?
C58 C59 H59 119.9 . . ?
C60 C59 C58 120.2(10) . . ?
C60 C59 H59 119.9 . . ?
C59 C60 H60 120.3 . . ?
C61 C60 C59 119.4(10) . . ?
C61 C60 H60 120.3 . . ?
C60 C61 H61 119.3 . . ?
C60 C61 C62 121.5(10) . . ?
C62 C61 H61 119.2 . . ?
C57 C62 C61 119.3(9) . . ?
C57 C62 C71 124.2(9) . . ?
C61 C62 C71 116.5(9) . . ?
C72 C71 C62 118.3(10) . . ?
C72 C71 C76 120.9(10) . . ?
C76 C71 C62 120.7(10) . . ?
C71 C72 C77 122.1(10) . . ?
C73 C72 C71 119.8(12) . . ?
C73 C72 C77 118.1(12) . . ?
C72 C73 H73 120.4 . . ?
C74 C73 C72 119.1(14) . . ?
C74 C73 H73 120.4 . . ?
C73 C74 H74 119.5 . . ?
C75 C74 C73 121.1(14) . . ?
C75 C74 H74 119.5 . . ?
C74 C75 H75 119.3 . . ?
C74 C75 C76 121.4(14) . . ?
C76 C75 H75 119.3 . . ?
C71 C76 C78 122.4(10) . . ?
C75 C76 C71 117.6(12) . . ?
C75 C76 C78 120.0(12) . . ?
C72 C77 H77A 109.5 . . ?
C72 C77 H77B 109.5 . . ?
C72 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C76 C78 H78A 109.5 . . ?
C76 C78 H78B 109.5 . . ?
C76 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
O1 S1 N1 116.0(5) . . ?
O1 S1 C79 103.7(6) . . ?
O2 S1 O1 118.5(6) . . ?
O2 S1 N1 109.0(6) . . ?
O2 S1 C79 104.2(6) . . ?
N1 S1 C79 103.3(5) . . ?
O3 S2 O4 119.1(5) . . ?
O3 S2 N1 116.6(4) . . ?
O3 S2 C80 104.3(5) . . ?
O4 S2 N1 108.1(5) . . ?
O4 S2 C80 102.9(5) . . ?
N1 S2 C80 103.7(5) . . ?
S2 N1 S1 124.0(5) . . ?
F1 C79 S1 113.3(9) . . ?
F1 C79 F2 107.0(12) . . ?
F1 C79 F3 107.2(12) . . ?
F2 C79 S1 111.0(9) . . ?
F3 C79 S1 112.0(10) . . ?
F3 C79 F2 106.0(10) . . ?
F4 C80 S2 111.5(8) . . ?
F4 C80 F6 107.7(10) . . ?
F5 C80 S2 110.3(8) . . ?
F5 C80 F4 108.2(9) . . ?
F5 C80 F6 107.3(10) . . ?
F6 C80 S2 111.7(8) . . ?
O5 S3 C81 103.1(9) . . ?
O5 S3 N2 96.4(10) . . ?
O6 S3 O5 116.7(10) . . ?
O6 S3 C81 104.0(9) . . ?
O6 S3 N2 131.2(9) . . ?
C81 S3 N2 101.9(7) . . ?
F7 C81 S3 112.2(11) . . ?
F8 C81 S3 111.9(11) . . ?
F8 C81 F7 105.1(15) . . ?
F8 C81 F9 109.2(13) . . ?
F9 C81 S3 110.4(11) . . ?
F9 C81 F7 107.8(13) . . ?
O7 S4 N2 112.8(16) . . ?
O7 S4 C82 104.6(9) . . ?
O8 S4 O7 115.4(12) . . ?
O8 S4 N2 113.5(14) . . ?
O8 S4 C82 107.5(7) . . ?
N2 S4 C82 101.5(8) . . ?
S4 N2 S3 113.9(18) . . ?
F10 C82 S4 113.0(12) . . ?
F10 C82 F11 109.0(15) . . ?
F10 C82 F12 107.5(15) . . ?
F11 C82 S4 108.9(11) . . ?
F11 C82 F12 104.3(16) . . ?
F12 C82 S4 113.7(10) . . ?
F10A C82 S4 112.7(17) . . ?
F10A C82 F12A 105(3) . . ?
F11A C82 S4 111(2) . . ?
F11A C82 F10A 108(3) . . ?
F11A C82 F12A 109(3) . . ?
F12A C82 S4 110.3(18) . . ?
C64 C54 C65 120.7(9) . . ?
C70 C54 C64 119.7(10) . . ?
C70 C54 C65 119.5(10) . . ?
C54 C64 C58 117.8(9) . . ?
C67 C64 C58 121.7(9) . . ?
C67 C64 C54 120.2(10) . . ?
C64 C67 C68 118.2(11) . . ?
C64 C67 C66 122.0(10) . . ?
C68 C67 C66 119.7(10) . . ?
C67 C68 H68 119.7 . . ?
C69 C68 C67 120.6(12) . . ?
C69 C68 H68 119.7 . . ?
C54 C65 H65A 109.5 . . ?
C54 C65 H65B 109.5 . . ?
C54 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C67 C66 H66A 109.5 . . ?
C67 C66 H66B 109.5 . . ?
C67 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C54 C70 H70 120.7 . . ?
C69 C70 C54 118.6(11) . . ?
C69 C70 H70 120.7 . . ?
C68 C69 C70 122.3(12) . . ?
C68 C69 H69 118.8 . . ?
C70 C69 H69 118.8 . . ?
P1 C63 H63A 109.5 . . ?
P1 C63 H63B 109.5 . . ?
P1 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
P5 C15 H15A 109.5 . . ?
P5 C15 H15B 109.5 . . ?
P5 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
P2 C10 H10A 109.5 . . ?
P2 C10 H10B 109.5 . . ?
P2 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
P6 C56 H56A 109.5 . . ?
P6 C56 H56B 109.5 . . ?
P6 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?

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
Au1 P3 C18 C19 117.9(7) . . . . ?
Au1 P3 C18 C23 -64.6(8) . . . . ?
Rh1 C5 C1 C2 -65.5(6) . . . . ?
Rh1 C5 C4 C3 55.9(6) . . . . ?
Rh1 C5 C4 C6 -125.7(8) . . . . ?
Rh1 C5 C9 C8 91.9(11) . . . . ?
Rh1 C1 C2 C3 -62.7(7) . . . . ?
Rh1 C2 C3 C4 -71.5(6) . . . . ?
Rh1 C3 C4 C5 -60.6(6) . . . . ?
Rh1 C3 C4 C6 121.3(10) . . . . ?
Rh1 C4 C6 C7 -91.5(11) . . . . ?
P3 C18 C19 C20 171.6(7) . . . . ?
P3 C18 C19 C24 -13.6(13) . . . . ?
P3 C18 C23 C22 -172.3(7) . . . . ?
P3 C18 C23 C32 12.4(12) . . . . ?
C5 C1 C2 Rh1 71.2(6) . . . . ?
C5 C1 C2 C3 8.4(11) . . . . ?
C5 C4 C6 C7 -0.3(14) . . . . ?
C1 C5 C4 Rh1 -56.1(6) . . . . ?
C1 C5 C4 C3 -0.2(10) . . . . ?
C1 C5 C4 C6 178.2(8) . . . . ?
C1 C5 C9 C8 -177.3(10) . . . . ?
C1 C2 C3 Rh1 62.8(7) . . . . ?
C1 C2 C3 C4 -8.7(11) . . . . ?
C2 C3 C4 Rh1 66.0(6) . . . . ?
C2 C3 C4 C5 5.5(10) . . . . ?
C2 C3 C4 C6 -172.7(10) . . . . ?
C3 C4 C6 C7 177.6(10) . . . . ?
C4 C5 C1 Rh1 60.6(6) . . . . ?
C4 C5 C1 C2 -5.0(10) . . . . ?
C4 C5 C9 C8 1.1(14) . . . . ?
C4 C6 C7 C8 0.8(15) . . . . ?
C6 C7 C8 C9 -0.3(16) . . . . ?
C7 C8 C9 C5 -0.7(15) . . . . ?
C9 C5 C1 Rh1 -120.9(10) . . . . ?
C9 C5 C1 C2 173.6(10) . . . . ?
C9 C5 C4 Rh1 125.1(8) . . . . ?
C9 C5 C4 C3 -179.0(8) . . . . ?
C9 C5 C4 C6 -0.6(13) . . . . ?
C16 P3 C18 C19 -8.6(9) . . . . ?
C16 P3 C18 C23 168.9(7) . . . . ?
C17 P3 C18 C19 -115.6(8) . . . . ?
C17 P3 C18 C23 61.9(8) . . . . ?
C18 C19 C20 C21 2.7(14) . . . . ?
C18 C19 C24 C25 -74.2(13) . . . . ?
C18 C19 C24 C29 107.1(11) . . . . ?
C18 C23 C32 C33 -104.8(11) . . . . ?
C18 C23 C32 C37 78.3(12) . . . . ?
C19 C18 C23 C22 5.2(14) . . . . ?
C19 C18 C23 C32 -170.0(8) . . . . ?
C19 C20 C21 C22 1.4(16) . . . . ?
C19 C24 C25 C26 178.8(10) . . . . ?
C19 C24 C25 C30 1.9(15) . . . . ?
C19 C24 C29 C28 -179.0(10) . . . . ?
C19 C24 C29 C31 -2.3(16) . . . . ?
C20 C19 C24 C25 100.6(11) . . . . ?
C20 C19 C24 C29 -78.1(12) . . . . ?
C20 C21 C22 C23 -2.3(16) . . . . ?
C21 C22 C23 C18 -1.1(16) . . . . ?
C21 C22 C23 C32 174.4(10) . . . . ?
C22 C23 C32 C33 79.8(12) . . . . ?
C22 C23 C32 C37 -97.1(11) . . . . ?
C23 C18 C19 C20 -5.9(12) . . . . ?
C23 C18 C19 C24 169.0(9) . . . . ?
C23 C32 C33 C34 175.8(9) . . . . ?
C23 C32 C33 C38 -4.0(15) . . . . ?
C23 C32 C37 C36 -175.9(8) . . . . ?
C23 C32 C37 C39 6.7(13) . . . . ?
C24 C19 C20 C21 -172.5(10) . . . . ?
C24 C25 C26 C27 1.6(19) . . . . ?
C25 C24 C29 C28 2.3(16) . . . . ?
C25 C24 C29 C31 178.9(10) . . . . ?
C25 C26 C27 C28 -1(2) . . . . ?
C26 C27 C28 C29 0(2) . . . . ?
C27 C28 C29 C24 -1(2) . . . . ?
C27 C28 C29 C31 -177.9(13) . . . . ?
C29 C24 C25 C26 -2.5(16) . . . . ?
C29 C24 C25 C30 -179.3(10) . . . . ?
C30 C25 C26 C27 178.5(12) . . . . ?
C32 C33 C34 C35 2.8(16) . . . . ?
C33 C32 C37 C36 7.2(14) . . . . ?
C33 C32 C37 C39 -170.2(9) . . . . ?
C33 C34 C35 C36 2.1(17) . . . . ?
C34 C35 C36 C37 -2.3(17) . . . . ?
C35 C36 C37 C32 -2.3(15) . . . . ?
C35 C36 C37 C39 174.9(10) . . . . ?
C37 C32 C33 C34 -7.4(15) . . . . ?
C37 C32 C33 C38 172.8(10) . . . . ?
C38 C33 C34 C35 -177.4(11) . . . . ?
Au2 P6 C57 C58 67.3(8) . . . . ?
Au2 P6 C57 C62 -112.8(8) . . . . ?
Rh2 C42 C41 C40 64.2(7) . . . . ?
Rh2 C42 C43 C44 -55.8(6) . . . . ?
Rh2 C42 C43 C48 123.8(9) . . . . ?
Rh2 C42 C45 C46 -90.0(12) . . . . ?
Rh2 C41 C40 C44 63.6(7) . . . . ?
Rh2 C40 C44 C43 70.5(6) . . . . ?
Rh2 C44 C43 C42 60.7(7) . . . . ?
Rh2 C44 C43 C48 -118.8(11) . . . . ?
Rh2 C43 C48 C47 91.4(11) . . . . ?
P6 C57 C58 C59 173.4(8) . . . . ?
P6 C57 C58 C64 -9.2(13) . . . . ?
P6 C57 C62 C61 -171.9(7) . . . . ?
P6 C57 C62 C71 11.3(14) . . . . ?
C42 C41 C40 Rh2 -69.1(7) . . . . ?
C42 C41 C40 C44 -5.5(11) . . . . ?
C42 C43 C48 C47 2.0(14) . . . . ?
C41 C42 C43 Rh2 57.3(6) . . . . ?
C41 C42 C43 C44 1.5(10) . . . . ?
C41 C42 C43 C48 -178.9(8) . . . . ?
C41 C42 C45 C46 177.5(10) . . . . ?
C41 C40 C44 Rh2 -64.0(7) . . . . ?
C41 C40 C44 C43 6.5(11) . . . . ?
C40 C44 C43 Rh2 -65.6(7) . . . . ?
C40 C44 C43 C42 -4.9(10) . . . . ?
C40 C44 C43 C48 175.6(10) . . . . ?
C44 C43 C48 C47 -178.6(10) . . . . ?
C43 C42 C41 Rh2 -61.8(7) . . . . ?
C43 C42 C41 C40 2.4(11) . . . . ?
C43 C42 C45 C46 2.1(15) . . . . ?
C43 C48 C47 C46 -1.1(15) . . . . ?
C48 C47 C46 C45 0.8(17) . . . . ?
C47 C46 C45 C42 -1.2(16) . . . . ?
C45 C42 C41 Rh2 122.4(11) . . . . ?
C45 C42 C41 C40 -173.5(10) . . . . ?
C45 C42 C43 Rh2 -126.2(9) . . . . ?
C45 C42 C43 C44 178.0(9) . . . . ?
C45 C42 C43 C48 -2.4(14) . . . . ?
C55 P6 C57 C58 -166.8(8) . . . . ?
C55 P6 C57 C62 13.1(10) . . . . ?
C57 C58 C59 C60 1.1(16) . . . . ?
C57 C58 C64 C54 -80.3(12) . . . . ?
C57 C58 C64 C67 104.6(12) . . . . ?
C57 C62 C71 C72 74.5(13) . . . . ?
C57 C62 C71 C76 -106.2(13) . . . . ?
C58 C57 C62 C61 8.1(14) . . . . ?
C58 C57 C62 C71 -168.8(9) . . . . ?
C58 C59 C60 C61 2.8(17) . . . . ?
C58 C64 C67 C68 180.0(9) . . . . ?
C58 C64 C67 C66 2.2(15) . . . . ?
C59 C58 C64 C54 97.2(11) . . . . ?
C59 C58 C64 C67 -77.9(12) . . . . ?
C59 C60 C61 C62 -1.2(17) . . . . ?
C60 C61 C62 C57 -4.4(16) . . . . ?
C60 C61 C62 C71 172.8(10) . . . . ?
C61 C62 C71 C72 -102.4(12) . . . . ?
C61 C62 C71 C76 76.8(13) . . . . ?
C62 C57 C58 C59 -6.5(15) . . . . ?
C62 C57 C58 C64 170.8(9) . . . . ?
C62 C71 C72 C73 -177.7(11) . . . . ?
C62 C71 C72 C77 1.1(16) . . . . ?
C62 C71 C76 C75 178.5(11) . . . . ?
C62 C71 C76 C78 -0.6(17) . . . . ?
C71 C72 C73 C74 -1(2) . . . . ?
C72 C71 C76 C75 -2.3(18) . . . . ?
C72 C71 C76 C78 178.6(11) . . . . ?
C72 C73 C74 C75 -2(2) . . . . ?
C73 C74 C75 C76 3(3) . . . . ?
C74 C75 C76 C71 -1(2) . . . . ?
C74 C75 C76 C78 178.4(14) . . . . ?
C76 C71 C72 C73 3.0(17) . . . . ?
C76 C71 C72 C77 -178.1(11) . . . . ?
C77 C72 C73 C74 -179.6(13) . . . . ?
O1 S1 N1 S2 24.5(9) . . . . ?
O1 S1 C79 F1 -66.4(11) . . . . ?
O1 S1 C79 F2 173.2(9) . . . . ?
O1 S1 C79 F3 54.9(11) . . . . ?
O2 S1 N1 S2 161.3(6) . . . . ?
O2 S1 C79 F1 168.9(10) . . . . ?
O2 S1 C79 F2 48.5(11) . . . . ?
O2 S1 C79 F3 -69.8(11) . . . . ?
O3 S2 N1 S1 20.1(8) . . . . ?
O3 S2 C80 F4 -178.4(8) . . . . ?
O3 S2 C80 F5 61.4(10) . . . . ?
O3 S2 C80 F6 -57.8(9) . . . . ?
O4 S2 N1 S1 157.5(6) . . . . ?
O4 S2 C80 F4 56.6(10) . . . . ?
O4 S2 C80 F5 -63.5(10) . . . . ?
O4 S2 C80 F6 177.2(8) . . . . ?
N1 S1 C79 F1 55.0(11) . . . . ?
N1 S1 C79 F2 -65.4(10) . . . . ?
N1 S1 C79 F3 176.3(9) . . . . ?
N1 S2 C80 F4 -55.9(10) . . . . ?
N1 S2 C80 F5 -176.0(8) . . . . ?
N1 S2 C80 F6 64.7(9) . . . . ?
C79 S1 N1 S2 -88.3(7) . . . . ?
C80 S2 N1 S1 -93.8(7) . . . . ?
O5 S3 C81 F7 -178.6(13) . . . . ?
O5 S3 C81 F8 63.5(15) . . . . ?
O5 S3 C81 F9 -58.3(14) . . . . ?
O5 S3 N2 S4 158.5(11) . . . . ?
O6 S3 C81 F7 -56.4(14) . . . . ?
O6 S3 C81 F8 -174.3(13) . . . . ?
O6 S3 C81 F9 63.9(13) . . . . ?
O6 S3 N2 S4 24.2(17) . . . . ?
C81 S3 N2 S4 -96.7(11) . . . . ?
O7 S4 N2 S3 7.4(13) . . . . ?
O7 S4 C82 F10 -171.2(18) . . . . ?
O7 S4 C82 F11 67.5(18) . . . . ?
O7 S4 C82 F12 -48.2(19) . . . . ?
O7 S4 C82 F10A 137(2) . . . . ?
O7 S4 C82 F11A 15(4) . . . . ?
O7 S4 C82 F12A -106(3) . . . . ?
O8 S4 N2 S3 141.0(10) . . . . ?
O8 S4 C82 F10 65.6(17) . . . . ?
O8 S4 C82 F11 -55.6(18) . . . . ?
O8 S4 C82 F12 -171.4(17) . . . . ?
O8 S4 C82 F10A 13(2) . . . . ?
O8 S4 C82 F11A -108(3) . . . . ?
O8 S4 C82 F12A 131(3) . . . . ?
N2 S3 C81 F7 81.8(14) . . . . ?
N2 S3 C81 F8 -36.1(15) . . . . ?
N2 S3 C81 F9 -157.9(12) . . . . ?
N2 S4 C82 F10 -54(2) . . . . ?
N2 S4 C82 F11 -175.0(19) . . . . ?
N2 S4 C82 F12 69(2) . . . . ?
N2 S4 C82 F10A -106(3) . . . . ?
N2 S4 C82 F11A 133(4) . . . . ?
N2 S4 C82 F12A 12(3) . . . . ?
C82 S4 N2 S3 -104.0(10) . . . . ?
C54 C64 C67 C68 5.0(15) . . . . ?
C54 C64 C67 C66 -172.7(10) . . . . ?
C54 C70 C69 C68 3.8(17) . . . . ?
C64 C58 C59 C60 -176.5(10) . . . . ?
C64 C54 C70 C69 1.4(14) . . . . ?
C64 C67 C68 C69 0.0(17) . . . . ?
C67 C68 C69 C70 -4.5(18) . . . . ?
C65 C54 C64 C58 -5.9(13) . . . . ?
C65 C54 C64 C67 169.3(9) . . . . ?
C65 C54 C70 C69 -173.7(9) . . . . ?
C66 C67 C68 C69 177.8(11) . . . . ?
C70 C54 C64 C58 179.2(8) . . . . ?
C70 C54 C64 C67 -5.7(14) . . . . ?
C56 P6 C57 C58 -60.6(9) . . . . ?
C56 P6 C57 C62 119.3(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_6c
_database_code_depnum_ccdc_archive 'CCDC 2223985'
loop_
_audit_author_name
_audit_author_address
'Macarena Gonzalez Alferez'
;csic
Spain
;
_audit_update_record             
;
2023-02-21 deposited with the CCDC.	2023-02-22 downloaded from the CCDC.
;
_audit_creation_date             2022-11-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C35 H31 P2 Rh'
_chemical_formula_sum            'C35 H31 P2 Rh'
_chemical_formula_weight         616.45
_chemical_melting_point          ?
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.2418(4)
_cell_length_b                   8.9282(4)
_cell_length_c                   33.9326(13)
_cell_angle_alpha                90
_cell_angle_beta                 96.2885(12)
_cell_angle_gamma                90
_cell_volume                     2783.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9949
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      27.08
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   0.050
_shelx_estimated_absorpt_T_min   0.021
_exptl_absorpt_coefficient_mu    0.752
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6363
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0984 before and 0.0555 after correction.
The Ratio of minimum to maximum transmission is 0.8535.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            40098
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.137
_diffrn_reflns_theta_min         2.233
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5242
_reflns_number_total             6171
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.419
_refine_diff_density_min         -0.354
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6171
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0318
_refine_ls_restrained_S_all      1.110
_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/[σ²(Fo²)+(0.0119P)²+3.1028P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0576
_refine_ls_wR_factor_ref         0.0620
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C18(H18A,H18B)
2.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C28(H28), C17(H17), C1(H1), C2(H2), C9(H9), C7(H7), C13(H13),
 C14(H14), C15(H15), C16(H16), C6(H6), C19(H19), C20(H20), C21(H21), C23(H23),
 C24(H24), C25(H25), C26(H26), C27(H27), C3(H3), C31(H31), C8(H8), C34(H34),
 C35(H35), C32(H32), C30(H30)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
Rh1 Rh 0.69957(2) 0.31791(2) 0.61475(2) 0.01887(5) Uani 1 1 d . . . . .
P2 P 0.80960(7) 0.43674(7) 0.56992(2) 0.01855(13) Uani 1 1 d . . . . .
P1 P 0.92285(7) 0.25849(7) 0.64101(2) 0.01932(13) Uani 1 1 d . . . . .
C29 C 0.9888(3) 0.3492(3) 0.68823(7) 0.0218(5) Uani 1 1 d . . . . .
C33 C 0.7615(2) 0.6305(3) 0.55644(7) 0.0207(5) Uani 1 1 d . . . . .
C11 C 0.7944(3) 0.3424(2) 0.52173(7) 0.0198(5) Uani 1 1 d . . . . .
C5 C 0.5104(3) 0.3289(3) 0.66113(7) 0.0286(6) Uani 1 1 d . . . . .
C10 C 0.6571(3) 0.3279(3) 0.50081(7) 0.0248(5) Uani 1 1 d . . . . .
H10 H 0.575346 0.371134 0.511230 0.030 Uiso 1 1 calc R U . . .
C28 C 0.7410(3) 0.6829(3) 0.51749(7) 0.0234(5) Uani 1 1 d . . . . .
H28 H 0.744570 0.614781 0.496112 0.028 Uiso 1 1 calc R U . . .
C17 C 0.7282(3) 0.8834(3) 0.57914(8) 0.0320(6) Uani 1 1 d . . . . .
H17 H 0.723927 0.952392 0.600302 0.038 Uiso 1 1 calc R U . . .
C1 C 0.5238(3) 0.1853(3) 0.64219(8) 0.0322(6) Uani 1 1 d . . . . .
H1 H 0.554182 0.094578 0.655211 0.039 Uiso 1 1 calc R U . . .
C12 C 1.0062(2) 0.4535(3) 0.58532(7) 0.0225(5) Uani 1 1 d . . . . .
H12A H 1.059154 0.467335 0.561744 0.027 Uiso 1 1 calc R U . . .
H12B H 1.025343 0.541584 0.602827 0.027 Uiso 1 1 calc R U . . .
C2 C 0.4842(3) 0.2026(3) 0.60121(8) 0.0341(6) Uani 1 1 d . . . . .
H2 H 0.471505 0.123960 0.582281 0.041 Uiso 1 1 calc R U . . .
C9 C 0.5240(3) 0.3750(4) 0.70091(8) 0.0357(7) Uani 1 1 d . . . . .
H9 H 0.545231 0.304156 0.721618 0.043 Uiso 1 1 calc R U . . .
C7 C 0.4769(3) 0.6296(4) 0.67948(9) 0.0460(8) Uani 1 1 d . . . . .
H7 H 0.467069 0.732038 0.686258 0.055 Uiso 1 1 calc R U . . .
C13 C 1.1314(3) 0.3380(3) 0.70551(8) 0.0316(6) Uani 1 1 d . . . . .
H13 H 1.200386 0.284109 0.692275 0.038 Uiso 1 1 calc R U . . .
C14 C 0.7101(3) 0.9337(3) 0.54038(8) 0.0332(6) Uani 1 1 d . . . . .
H14 H 0.693854 1.037113 0.534913 0.040 Uiso 1 1 calc R U . . .
C15 C 1.0742(3) 0.4803(3) 0.76162(8) 0.0345(6) Uani 1 1 d . . . . .
H15 H 1.103363 0.524916 0.786651 0.041 Uiso 1 1 calc R U . . .
C16 C 1.1285(3) -0.1525(3) 0.65537(9) 0.0404(7) Uani 1 1 d . . . . .
H16 H 1.214028 -0.199291 0.648113 0.048 Uiso 1 1 calc R U . . .
C6 C 0.4620(3) 0.5880(3) 0.64018(9) 0.0401(7) Uani 1 1 d . . . . .
H6 H 0.442530 0.661142 0.619954 0.048 Uiso 1 1 calc R U . . .
C18 C 1.0588(3) 0.3121(3) 0.60724(7) 0.0239(5) Uani 1 1 d . . . . .
H18A H 1.154442 0.330275 0.622646 0.029 Uiso 1 1 calc R U . . .
H18B H 1.070014 0.230417 0.588091 0.029 Uiso 1 1 calc R U . . .
C19 C 0.8807(3) -0.0161(3) 0.67598(7) 0.0289(6) Uani 1 1 d . . . . .
H19 H 0.794748 0.029894 0.683215 0.035 Uiso 1 1 calc R U . . .
C20 C 1.0977(3) -0.0048(3) 0.64410(8) 0.0330(6) Uani 1 1 d . . . . .
H20 H 1.162711 0.048608 0.629409 0.040 Uiso 1 1 calc R U . . .
C21 C 0.7527(3) 0.7323(3) 0.58729(8) 0.0278(6) Uani 1 1 d . . . . .
H21 H 0.763545 0.698224 0.613979 0.033 Uiso 1 1 calc R U . . .
C22 C 0.9728(3) 0.0646(3) 0.65420(7) 0.0220(5) Uani 1 1 d . . . . .
C23 C 1.1747(3) 0.4043(3) 0.74184(8) 0.0357(7) Uani 1 1 d . . . . .
H23 H 1.273182 0.397544 0.753113 0.043 Uiso 1 1 calc R U . . .
C24 C 0.9322(3) 0.4913(3) 0.74506(8) 0.0337(6) Uani 1 1 d . . . . .
H24 H 0.862908 0.542710 0.758767 0.040 Uiso 1 1 calc R U . . .
C25 C 0.9122(3) -0.1628(3) 0.68735(8) 0.0347(6) Uani 1 1 d . . . . .
H25 H 0.848382 -0.216496 0.702352 0.042 Uiso 1 1 calc R U . . .
C26 C 0.7155(3) 0.8337(3) 0.50974(8) 0.0302(6) Uani 1 1 d . . . . .
H26 H 0.701748 0.868076 0.483101 0.036 Uiso 1 1 calc R U . . .
C27 C 0.9111(3) 0.2757(3) 0.50619(7) 0.0273(6) Uani 1 1 d . . . . .
H27 H 1.005895 0.283600 0.520043 0.033 Uiso 1 1 calc R U . . .
C3 C 0.4666(3) 0.3573(3) 0.59307(7) 0.0308(6) Uani 1 1 d . . . . .
H3 H 0.451352 0.401361 0.567463 0.037 Uiso 1 1 calc R U . . .
C4 C 0.4757(3) 0.4369(3) 0.63034(7) 0.0284(6) Uani 1 1 d . . . . .
C31 C 0.8897(3) 0.4272(3) 0.70830(7) 0.0274(6) Uani 1 1 d . . . . .
H31 H 0.791776 0.436878 0.696786 0.033 Uiso 1 1 calc R U . . .
C8 C 0.5063(3) 0.5235(4) 0.70957(9) 0.0424(7) Uani 1 1 d . . . . .
H8 H 0.514183 0.554717 0.736485 0.051 Uiso 1 1 calc R U . . .
C34 C 0.6372(3) 0.2516(3) 0.46500(7) 0.0287(6) Uani 1 1 d . . . . .
H34 H 0.542948 0.244557 0.450808 0.034 Uiso 1 1 calc R U . . .
C35 C 1.0367(3) -0.2305(3) 0.67678(8) 0.0358(7) Uani 1 1 d . . . . .
H35 H 1.058461 -0.331149 0.684381 0.043 Uiso 1 1 calc R U . . .
C32 C 0.7551(3) 0.1858(3) 0.45008(7) 0.0299(6) Uani 1 1 d . . . . .
H32 H 0.741918 0.132829 0.425672 0.036 Uiso 1 1 calc R U . . .
C30 C 0.8914(3) 0.1972(3) 0.47058(8) 0.0322(6) Uani 1 1 d . . . . .
H30 H 0.972330 0.151371 0.460415 0.039 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Rh1 P2 2.1937(6) . ?
Rh1 P1 2.2206(6) . ?
Rh1 C5 2.479(2) . ?
Rh1 C1 2.289(3) . ?
Rh1 C2 2.243(3) . ?
Rh1 C3 2.226(2) . ?
Rh1 C4 2.435(2) . ?
P2 C33 1.831(2) . ?
P2 C11 1.831(2) . ?
P2 C12 1.841(2) . ?
P1 C29 1.839(2) . ?
P1 C18 1.854(2) . ?
P1 C22 1.834(2) . ?
C29 C13 1.386(3) . ?
C29 C31 1.386(3) . ?
C33 C28 1.395(3) . ?
C33 C21 1.396(3) . ?
C11 C10 1.391(3) . ?
C11 C27 1.386(3) . ?
C5 C1 1.446(4) . ?
C5 C9 1.404(4) . ?
C5 C4 1.432(4) . ?
C10 H10 0.9500 . ?
C10 C34 1.388(3) . ?
C28 H28 0.9500 . ?
C28 C26 1.387(3) . ?
C17 H17 0.9500 . ?
C17 C14 1.383(4) . ?
C17 C21 1.391(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.407(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C18 1.517(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.415(4) . ?
C9 H9 0.9500 . ?
C9 C8 1.371(4) . ?
C7 H7 0.9500 . ?
C7 C6 1.377(4) . ?
C7 C8 1.398(4) . ?
C13 H13 0.9500 . ?
C13 C23 1.387(4) . ?
C14 H14 0.9500 . ?
C14 C26 1.376(4) . ?
C15 H15 0.9500 . ?
C15 C23 1.382(4) . ?
C15 C24 1.374(4) . ?
C16 H16 0.9500 . ?
C16 C20 1.393(4) . ?
C16 C35 1.367(4) . ?
C6 H6 0.9500 . ?
C6 C4 1.399(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19 0.9500 . ?
C19 C22 1.388(3) . ?
C19 C25 1.387(4) . ?
C20 H20 0.9500 . ?
C20 C22 1.386(3) . ?
C21 H21 0.9500 . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C24 C31 1.389(3) . ?
C25 H25 0.9500 . ?
C25 C35 1.382(4) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C27 C30 1.391(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.445(4) . ?
C31 H31 0.9500 . ?
C8 H8 0.9500 . ?
C34 H34 0.9500 . ?
C34 C32 1.381(4) . ?
C35 H35 0.9500 . ?
C32 H32 0.9500 . ?
C32 C30 1.375(4) . ?
C30 H30 0.9500 . ?

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 Rh1 P1 85.00(2) . . ?
P2 Rh1 C5 146.48(7) . . ?
P2 Rh1 C1 159.36(7) . . ?
P2 Rh1 C2 123.25(7) . . ?
P2 Rh1 C3 101.51(7) . . ?
P2 Rh1 C4 114.14(6) . . ?
P1 Rh1 C5 116.33(6) . . ?
P1 Rh1 C1 112.51(7) . . ?
P1 Rh1 C2 137.49(8) . . ?
P1 Rh1 C3 173.32(7) . . ?
P1 Rh1 C4 142.31(6) . . ?
C1 Rh1 C5 35.02(9) . . ?
C1 Rh1 C4 58.65(9) . . ?
C2 Rh1 C5 58.45(9) . . ?
C2 Rh1 C1 36.16(10) . . ?
C2 Rh1 C4 59.27(10) . . ?
C3 Rh1 C5 58.65(9) . . ?
C3 Rh1 C1 60.81(10) . . ?
C3 Rh1 C2 36.91(10) . . ?
C3 Rh1 C4 35.78(9) . . ?
C4 Rh1 C5 33.87(8) . . ?
C33 P2 Rh1 120.78(8) . . ?
C33 P2 C11 102.64(10) . . ?
C33 P2 C12 101.50(11) . . ?
C11 P2 Rh1 113.62(8) . . ?
C11 P2 C12 105.51(11) . . ?
C12 P2 Rh1 111.13(8) . . ?
C29 P1 Rh1 116.69(8) . . ?
C29 P1 C18 104.04(11) . . ?
C18 P1 Rh1 110.67(8) . . ?
C22 P1 Rh1 121.41(8) . . ?
C22 P1 C29 98.79(10) . . ?
C22 P1 C18 103.03(11) . . ?
C13 C29 P1 123.06(19) . . ?
C13 C29 C31 118.5(2) . . ?
C31 C29 P1 118.41(18) . . ?
C28 C33 P2 123.89(18) . . ?
C28 C33 C21 118.6(2) . . ?
C21 C33 P2 117.41(18) . . ?
C10 C11 P2 118.34(18) . . ?
C27 C11 P2 123.42(18) . . ?
C27 C11 C10 118.1(2) . . ?
C1 C5 Rh1 65.29(13) . . ?
C9 C5 Rh1 128.85(18) . . ?
C9 C5 C1 133.2(3) . . ?
C9 C5 C4 119.6(3) . . ?
C4 C5 Rh1 71.37(13) . . ?
C4 C5 C1 107.2(2) . . ?
C11 C10 H10 119.4 . . ?
C34 C10 C11 121.2(2) . . ?
C34 C10 H10 119.4 . . ?
C33 C28 H28 119.7 . . ?
C26 C28 C33 120.5(2) . . ?
C26 C28 H28 119.7 . . ?
C14 C17 H17 119.9 . . ?
C14 C17 C21 120.3(2) . . ?
C21 C17 H17 119.9 . . ?
Rh1 C1 H1 116.3 . . ?
C5 C1 Rh1 79.69(15) . . ?
C5 C1 H1 125.8 . . ?
C2 C1 Rh1 70.15(15) . . ?
C2 C1 C5 108.4(2) . . ?
C2 C1 H1 125.8 . . ?
P2 C12 H12A 109.9 . . ?
P2 C12 H12B 109.9 . . ?
H12A C12 H12B 108.3 . . ?
C18 C12 P2 108.94(16) . . ?
C18 C12 H12A 109.9 . . ?
C18 C12 H12B 109.9 . . ?
Rh1 C2 H2 121.3 . . ?
C1 C2 Rh1 73.69(15) . . ?
C1 C2 H2 125.9 . . ?
C1 C2 C3 108.2(2) . . ?
C3 C2 Rh1 70.87(15) . . ?
C3 C2 H2 125.9 . . ?
C5 C9 H9 120.3 . . ?
C8 C9 C5 119.3(3) . . ?
C8 C9 H9 120.3 . . ?
C6 C7 H7 119.5 . . ?
C6 C7 C8 121.1(3) . . ?
C8 C7 H7 119.5 . . ?
C29 C13 H13 119.6 . . ?
C29 C13 C23 120.9(2) . . ?
C23 C13 H13 119.6 . . ?
C17 C14 H14 120.1 . . ?
C26 C14 C17 119.8(2) . . ?
C26 C14 H14 120.1 . . ?
C23 C15 H15 120.0 . . ?
C24 C15 H15 120.0 . . ?
C24 C15 C23 119.9(3) . . ?
C20 C16 H16 119.7 . . ?
C35 C16 H16 119.7 . . ?
C35 C16 C20 120.5(3) . . ?
C7 C6 H6 120.4 . . ?
C7 C6 C4 119.3(3) . . ?
C4 C6 H6 120.4 . . ?
P1 C18 H18A 110.0 . . ?
P1 C18 H18B 110.0 . . ?
C12 C18 P1 108.41(16) . . ?
C12 C18 H18A 110.0 . . ?
C12 C18 H18B 110.0 . . ?
H18A C18 H18B 108.4 . . ?
C22 C19 H19 119.5 . . ?
C25 C19 H19 119.5 . . ?
C25 C19 C22 121.1(3) . . ?
C16 C20 H20 119.8 . . ?
C22 C20 C16 120.4(3) . . ?
C22 C20 H20 119.8 . . ?
C33 C21 H21 119.9 . . ?
C17 C21 C33 120.3(2) . . ?
C17 C21 H21 119.9 . . ?
C19 C22 P1 117.86(18) . . ?
C20 C22 P1 123.8(2) . . ?
C20 C22 C19 118.4(2) . . ?
C13 C23 H23 120.1 . . ?
C15 C23 C13 119.9(3) . . ?
C15 C23 H23 120.1 . . ?
C15 C24 H24 120.0 . . ?
C15 C24 C31 120.1(3) . . ?
C31 C24 H24 120.0 . . ?
C19 C25 H25 120.1 . . ?
C35 C25 C19 119.8(3) . . ?
C35 C25 H25 120.1 . . ?
C28 C26 H26 119.8 . . ?
C14 C26 C28 120.4(2) . . ?
C14 C26 H26 119.8 . . ?
C11 C27 H27 119.6 . . ?
C11 C27 C30 120.9(2) . . ?
C30 C27 H27 119.6 . . ?
Rh1 C3 H3 114.1 . . ?
C2 C3 Rh1 72.22(15) . . ?
C2 C3 H3 125.8 . . ?
C2 C3 C4 108.4(2) . . ?
C4 C3 Rh1 80.03(15) . . ?
C4 C3 H3 125.8 . . ?
C5 C4 Rh1 74.75(14) . . ?
C5 C4 C3 107.1(2) . . ?
C6 C4 Rh1 125.1(2) . . ?
C6 C4 C5 119.6(2) . . ?
C6 C4 C3 133.2(3) . . ?
C3 C4 Rh1 64.20(13) . . ?
C29 C31 C24 120.7(2) . . ?
C29 C31 H31 119.6 . . ?
C24 C31 H31 119.6 . . ?
C9 C8 C7 121.1(3) . . ?
C9 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
C10 C34 H34 120.1 . . ?
C32 C34 C10 119.7(2) . . ?
C32 C34 H34 120.1 . . ?
C16 C35 C25 119.9(3) . . ?
C16 C35 H35 120.1 . . ?
C25 C35 H35 120.1 . . ?
C34 C32 H32 120.0 . . ?
C30 C32 C34 119.9(2) . . ?
C30 C32 H32 120.0 . . ?
C27 C30 H30 119.9 . . ?
C32 C30 C27 120.2(2) . . ?
C32 C30 H30 119.9 . . ?

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
Rh1 P2 C33 C28 -135.49(18) . . . . ?
Rh1 P2 C33 C21 48.0(2) . . . . ?
Rh1 P2 C11 C10 64.5(2) . . . . ?
Rh1 P2 C11 C27 -111.0(2) . . . . ?
Rh1 P2 C12 C18 36.26(18) . . . . ?
Rh1 P1 C29 C13 -171.57(19) . . . . ?
Rh1 P1 C29 C31 11.3(2) . . . . ?
Rh1 P1 C18 C12 33.49(18) . . . . ?
Rh1 P1 C22 C19 -48.2(2) . . . . ?
Rh1 P1 C22 C20 132.6(2) . . . . ?
Rh1 C5 C1 C2 -64.88(17) . . . . ?
Rh1 C5 C9 C8 88.0(3) . . . . ?
Rh1 C5 C4 C6 -122.0(3) . . . . ?
Rh1 C5 C4 C3 56.22(16) . . . . ?
Rh1 C1 C2 C3 -62.90(18) . . . . ?
Rh1 C2 C3 C4 -72.66(18) . . . . ?
Rh1 C3 C4 C5 -62.97(18) . . . . ?
Rh1 C3 C4 C6 114.9(3) . . . . ?
P2 C33 C28 C26 -175.11(19) . . . . ?
P2 C33 C21 C17 174.8(2) . . . . ?
P2 C11 C10 C34 -177.00(19) . . . . ?
P2 C11 C27 C30 175.8(2) . . . . ?
P2 C12 C18 P1 -42.4(2) . . . . ?
P1 C29 C13 C23 -177.8(2) . . . . ?
P1 C29 C31 C24 176.7(2) . . . . ?
C29 P1 C18 C12 -92.60(18) . . . . ?
C29 P1 C22 C19 80.6(2) . . . . ?
C29 P1 C22 C20 -98.5(2) . . . . ?
C29 C13 C23 C15 1.3(4) . . . . ?
C33 P2 C11 C10 -67.6(2) . . . . ?
C33 P2 C11 C27 116.9(2) . . . . ?
C33 P2 C12 C18 165.93(16) . . . . ?
C33 C28 C26 C14 0.0(4) . . . . ?
C11 P2 C33 C28 -7.8(2) . . . . ?
C11 P2 C33 C21 175.72(19) . . . . ?
C11 P2 C12 C18 -87.31(17) . . . . ?
C11 C10 C34 C32 1.3(4) . . . . ?
C11 C27 C30 C32 0.5(4) . . . . ?
C5 C1 C2 Rh1 71.28(18) . . . . ?
C5 C1 C2 C3 8.4(3) . . . . ?
C5 C9 C8 C7 -0.8(4) . . . . ?
C10 C11 C27 C30 0.3(4) . . . . ?
C10 C34 C32 C30 -0.5(4) . . . . ?
C28 C33 C21 C17 -1.8(4) . . . . ?
C17 C14 C26 C28 -0.8(4) . . . . ?
C1 C5 C9 C8 179.2(3) . . . . ?
C1 C5 C4 Rh1 -55.50(17) . . . . ?
C1 C5 C4 C6 -177.5(2) . . . . ?
C1 C5 C4 C3 0.7(3) . . . . ?
C1 C2 C3 Rh1 64.73(18) . . . . ?
C1 C2 C3 C4 -7.9(3) . . . . ?
C12 P2 C33 C28 101.2(2) . . . . ?
C12 P2 C33 C21 -75.3(2) . . . . ?
C12 P2 C11 C10 -173.54(18) . . . . ?
C12 P2 C11 C27 10.9(2) . . . . ?
C2 C3 C4 Rh1 67.36(18) . . . . ?
C2 C3 C4 C5 4.4(3) . . . . ?
C2 C3 C4 C6 -177.7(3) . . . . ?
C9 C5 C1 Rh1 -121.0(3) . . . . ?
C9 C5 C1 C2 174.1(3) . . . . ?
C9 C5 C4 Rh1 124.7(2) . . . . ?
C9 C5 C4 C6 2.7(4) . . . . ?
C9 C5 C4 C3 -179.0(2) . . . . ?
C7 C6 C4 Rh1 -94.0(3) . . . . ?
C7 C6 C4 C5 -2.3(4) . . . . ?
C7 C6 C4 C3 -180.0(3) . . . . ?
C13 C29 C31 C24 -0.6(4) . . . . ?
C14 C17 C21 C33 1.0(4) . . . . ?
C15 C24 C31 C29 1.2(4) . . . . ?
C16 C20 C22 P1 179.7(2) . . . . ?
C16 C20 C22 C19 0.6(4) . . . . ?
C6 C7 C8 C9 1.3(5) . . . . ?
C18 P1 C29 C13 -49.4(2) . . . . ?
C18 P1 C29 C31 133.5(2) . . . . ?
C18 P1 C22 C19 -172.68(19) . . . . ?
C18 P1 C22 C20 8.2(2) . . . . ?
C19 C25 C35 C16 0.3(4) . . . . ?
C20 C16 C35 C25 0.1(4) . . . . ?
C21 C33 C28 C26 1.3(4) . . . . ?
C21 C17 C14 C26 0.3(4) . . . . ?
C22 P1 C29 C13 56.5(2) . . . . ?
C22 P1 C29 C31 -120.6(2) . . . . ?
C22 P1 C18 C12 164.72(16) . . . . ?
C22 C19 C25 C35 -0.3(4) . . . . ?
C23 C15 C24 C31 -0.6(4) . . . . ?
C24 C15 C23 C13 -0.7(4) . . . . ?
C25 C19 C22 P1 -179.4(2) . . . . ?
C25 C19 C22 C20 -0.2(4) . . . . ?
C27 C11 C10 C34 -1.2(4) . . . . ?
C4 C5 C1 Rh1 59.28(18) . . . . ?
C4 C5 C1 C2 -5.6(3) . . . . ?
C4 C5 C9 C8 -1.2(4) . . . . ?
C31 C29 C13 C23 -0.6(4) . . . . ?
C8 C7 C6 C4 0.4(5) . . . . ?
C34 C32 C30 C27 -0.5(4) . . . . ?
C35 C16 C20 C22 -0.5(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_6d
_database_code_depnum_ccdc_archive 'CCDC 2223982'
loop_
_audit_author_name
_audit_author_address
'Macarena Gonzalez Alferez'
;csic
Spain
;
_audit_update_record             
;
2023-02-21 deposited with the CCDC.	2023-02-22 downloaded from the CCDC.
;
_audit_creation_date             2022-11-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C45 H37 P2 Rh'
_chemical_formula_sum            'C45 H37 P2 Rh'
_chemical_formula_weight         742.59
_chemical_melting_point          ?
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.9920(4)
_cell_length_b                   19.9168(7)
_cell_length_c                   16.4411(5)
_cell_angle_alpha                90
_cell_angle_beta                 104.1791(12)
_cell_angle_gamma                90
_cell_volume                     3489.7(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9889
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.27
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.613
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6783
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1143 before and 0.0778 after correction.
The Ratio of minimum to maximum transmission is 0.9096.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0856
_diffrn_reflns_av_unetI/netI     0.0476
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            63448
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.314
_diffrn_reflns_theta_min         2.266
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6368
_reflns_number_total             8672
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.844
_refine_diff_density_min         -0.616
_refine_diff_density_rms         0.092
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         8672
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0376
_refine_ls_restrained_S_all      1.139
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0186P)²+3.8721P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0718
_refine_ls_wR_factor_ref         0.0893
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C15-C46 = C11-C12 = C13-C14
 1.39 with sigma of 0.01
3. Rigid bond restraints
 C15, C14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C11, C12
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C46, C11
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C15, C46
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C13, C14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C12, C13
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4.a Aromatic/amide H refined with riding coordinates:
 C33(H33), C27(H27), C45(H45), C39(H39), C17(H17), C9(H9), C23(H23), C21(H21),
 C18(H18), C24(H24), C25(H25), C15(H15), C19(H19), C20(H20), C14(H14), C26(H26),
  C11(H11), C29(H29), C35(H35), C6(H6), C38(H38), C2(H2), C32(H32), C36(H36),
 C37(H37), C8(H8), C7(H7), C43(H43), C31(H31), C44(H44), C13(H13), C1(H1),
 C41(H41), C3(H3), C30(H30), C12(H12), C42(H42)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
Rh1 Rh 0.50627(2) 0.46955(2) 0.78369(2) 0.02255(6) Uani 1 1 d . . . . .
P2 P 0.53970(6) 0.37794(3) 0.86508(4) 0.02187(14) Uani 1 1 d . . . . .
P3 P 0.36136(7) 0.42937(4) 0.67383(5) 0.02451(15) Uani 1 1 d . . . . .
C28 C 0.5885(3) 0.30505(14) 0.81286(18) 0.0255(6) Uani 1 1 d . . . . .
C22 C 0.2473(3) 0.36579(15) 0.68884(18) 0.0296(6) Uani 1 1 d . . . . .
C40 C 0.6739(3) 0.38552(14) 0.95698(18) 0.0262(6) Uani 1 1 d . . . . .
C33 C 0.5552(3) 0.23884(15) 0.8230(2) 0.0331(7) Uani 1 1 d . . . . .
H33 H 0.501929 0.228675 0.858927 0.040 Uiso 1 1 calc R U . . .
C27 C 0.2802(3) 0.29816(16) 0.6937(2) 0.0387(8) Uani 1 1 d . . . . .
H27 H 0.359855 0.284943 0.686300 0.046 Uiso 1 1 calc R U . . .
C45 C 0.6626(3) 0.42841(15) 1.02173(19) 0.0333(7) Uani 1 1 d . . . . .
H45 H 0.586710 0.452541 1.017422 0.040 Uiso 1 1 calc R U . . .
C39 C 0.3040(3) 0.37496(15) 0.89882(18) 0.0306(6) Uani 1 1 d . . . . .
H39 H 0.284025 0.408911 0.857084 0.037 Uiso 1 1 calc R U . . .
C17 C 0.3348(3) 0.35130(16) 0.5246(2) 0.0391(8) Uani 1 1 d . . . . .
H17 H 0.250475 0.343727 0.527134 0.047 Uiso 1 1 calc R U . . .
C9 C 0.8278(3) 0.49771(17) 0.8568(2) 0.0426(8) Uani 1 1 d . . . . .
H9 H 0.859937 0.486897 0.914385 0.051 Uiso 1 1 calc R U . . .
C46 C 0.2548(3) 0.49699(14) 0.62202(18) 0.0280(6) Uani 1 1 d D U . . .
C23 C 0.1300(3) 0.38362(17) 0.7004(2) 0.0364(7) Uani 1 1 d . . . . .
H23 H 0.105525 0.429482 0.696802 0.044 Uiso 1 1 calc R U . . .
C21 C 0.5348(3) 0.40141(18) 0.5800(2) 0.0396(8) Uani 1 1 d . . . . .
H21 H 0.589105 0.429001 0.620261 0.047 Uiso 1 1 calc R U . . .
C16 C 0.4129(3) 0.39085(14) 0.58525(18) 0.0290(6) Uani 1 1 d . . . . .
C18 C 0.3789(4) 0.32288(17) 0.4605(2) 0.0471(9) Uani 1 1 d . . . . .
H18 H 0.324301 0.296846 0.418543 0.057 Uiso 1 1 calc R U . . .
C24 C 0.0486(3) 0.3353(2) 0.7171(2) 0.0484(9) Uani 1 1 d . . . . .
H24 H -0.030611 0.348252 0.725438 0.058 Uiso 1 1 calc R U . . .
C25 C 0.0827(3) 0.2682(2) 0.7216(2) 0.0521(10) Uani 1 1 d . . . . .
H25 H 0.027229 0.234997 0.733190 0.062 Uiso 1 1 calc R U . . .
C15 C 0.1995(3) 0.50009(18) 0.5378(2) 0.0467(9) Uani 1 1 d D U . . .
H15 H 0.216294 0.465913 0.501775 0.056 Uiso 1 1 calc R U . . .
C19 C 0.5013(4) 0.33224(18) 0.4576(2) 0.0503(10) Uani 1 1 d . . . . .
H19 H 0.532292 0.311193 0.414842 0.060 Uiso 1 1 calc R U . . .
C20 C 0.5785(4) 0.3717(2) 0.5158(2) 0.0530(10) Uani 1 1 d . . . . .
H20 H 0.662659 0.379052 0.512694 0.064 Uiso 1 1 calc R U . . .
C14 C 0.1196(4) 0.5522(2) 0.5045(2) 0.0615(12) Uani 1 1 d D U . . .
H14 H 0.082026 0.553019 0.445970 0.074 Uiso 1 1 calc R U . . .
C26 C 0.1979(3) 0.24996(19) 0.7092(3) 0.0513(10) Uani 1 1 d . . . . .
H26 H 0.220917 0.203902 0.711381 0.062 Uiso 1 1 calc R U . . .
C11 C 0.2267(4) 0.5476(2) 0.6712(2) 0.0595(12) Uani 1 1 d D U . . .
H11 H 0.263120 0.546862 0.729943 0.071 Uiso 1 1 calc R U . . .
C34 C 0.4228(3) 0.34682(14) 0.91860(17) 0.0255(6) Uani 1 1 d . . . . .
C29 C 0.6661(3) 0.31782(16) 0.7592(2) 0.0377(7) Uani 1 1 d . . . . .
H29 H 0.690268 0.362687 0.751307 0.045 Uiso 1 1 calc R U . . .
C4 C 0.6612(3) 0.54150(14) 0.7417(2) 0.0340(7) Uani 1 1 d . . . . .
C35 C 0.4507(3) 0.29838(16) 0.9818(2) 0.0359(7) Uani 1 1 d . . . . .
H35 H 0.532549 0.279629 0.997642 0.043 Uiso 1 1 calc R U . . .
C5 C 0.7082(3) 0.52667(15) 0.82873(19) 0.0329(7) Uani 1 1 d . . . . .
C6 C 0.7350(4) 0.52812(17) 0.6849(2) 0.0442(8) Uani 1 1 d . . . . .
H6 H 0.704371 0.537941 0.626967 0.053 Uiso 1 1 calc R U . . .
C38 C 0.2134(3) 0.35392(18) 0.9396(2) 0.0404(8) Uani 1 1 d . . . . .
H38 H 0.132142 0.373486 0.925565 0.048 Uiso 1 1 calc R U . . .
C2 C 0.5166(3) 0.57957(14) 0.8122(2) 0.0410(8) Uani 1 1 d . . . . .
H2 H 0.448823 0.603834 0.824393 0.049 Uiso 1 1 calc R U . . .
C32 C 0.5994(3) 0.18740(16) 0.7807(2) 0.0444(9) Uani 1 1 d . . . . .
H32 H 0.576241 0.142295 0.788250 0.053 Uiso 1 1 calc R U . . .
C36 C 0.3601(3) 0.27748(17) 1.0216(2) 0.0419(8) Uani 1 1 d . . . . .
H36 H 0.379762 0.244041 1.063976 0.050 Uiso 1 1 calc R U . . .
C37 C 0.2418(3) 0.30475(18) 1.0001(2) 0.0431(8) Uani 1 1 d . . . . .
H37 H 0.179609 0.289713 1.027104 0.052 Uiso 1 1 calc R U . . .
C8 C 0.8973(3) 0.48534(19) 0.7992(3) 0.0532(10) Uani 1 1 d . . . . .
H8 H 0.978302 0.465871 0.817638 0.064 Uiso 1 1 calc R U . . .
C7 C 0.8517(4) 0.50071(19) 0.7144(3) 0.0518(10) Uani 1 1 d . . . . .
H7 H 0.902510 0.491996 0.676452 0.062 Uiso 1 1 calc R U . . .
C43 C 0.8704(4) 0.40109(19) 1.0999(2) 0.0546(10) Uani 1 1 d . . . . .
H43 H 0.937167 0.406382 1.148575 0.066 Uiso 1 1 calc R U . . .
C31 C 0.6763(3) 0.20110(18) 0.7281(2) 0.0466(9) Uani 1 1 d . . . . .
H31 H 0.706657 0.165718 0.699714 0.056 Uiso 1 1 calc R U . . .
C44 C 0.7599(4) 0.43622(18) 1.0918(2) 0.0478(9) Uani 1 1 d . . . . .
H44 H 0.751008 0.466097 1.135006 0.057 Uiso 1 1 calc R U . . .
C13 C 0.0938(3) 0.60227(17) 0.5539(2) 0.0475(9) Uani 1 1 d D U . . .
H13 H 0.039886 0.638306 0.530447 0.057 Uiso 1 1 calc R U . . .
C1 C 0.6145(3) 0.54737(14) 0.8712(2) 0.0354(7) Uani 1 1 d . . . . .
H1 H 0.617872 0.540579 0.928930 0.042 Uiso 1 1 calc R U . . .
C41 C 0.7855(3) 0.35107(17) 0.9654(2) 0.0407(8) Uani 1 1 d . . . . .
H41 H 0.795956 0.321991 0.921830 0.049 Uiso 1 1 calc R U . . .
C3 C 0.5377(3) 0.56920(15) 0.7319(2) 0.0380(7) Uani 1 1 d . . . . .
H3 H 0.479892 0.578893 0.680067 0.046 Uiso 1 1 calc R U . . .
C30 C 0.7086(4) 0.26608(19) 0.7173(2) 0.0480(9) Uani 1 1 d . . . . .
H30 H 0.760738 0.275865 0.680496 0.058 Uiso 1 1 calc R U . . .
C12 C 0.1470(4) 0.5995(2) 0.6377(3) 0.0660(13) Uani 1 1 d D U . . .
H12 H 0.129078 0.633611 0.673468 0.079 Uiso 1 1 calc R U . . .
C42 C 0.8828(3) 0.3586(2) 1.0372(3) 0.0564(11) Uani 1 1 d . . . . .
H42 H 0.958333 0.333961 1.042577 0.068 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Rh1 P2 2.2391(7) . ?
Rh1 P3 2.2430(8) . ?
Rh1 C4 2.450(3) . ?
Rh1 C5 2.442(3) . ?
Rh1 C2 2.238(3) . ?
Rh1 C1 2.247(3) . ?
Rh1 C3 2.219(3) . ?
P2 C28 1.833(3) . ?
P2 C40 1.841(3) . ?
P2 C34 1.834(3) . ?
P3 C22 1.841(3) . ?
P3 C46 1.850(3) . ?
P3 C16 1.853(3) . ?
C28 C33 1.389(4) . ?
C28 C29 1.393(4) . ?
C22 C27 1.392(4) . ?
C22 C23 1.394(4) . ?
C40 C45 1.394(4) . ?
C40 C41 1.383(4) . ?
C33 H33 0.9500 . ?
C33 C32 1.390(4) . ?
C27 H27 0.9500 . ?
C27 C26 1.386(5) . ?
C45 H45 0.9500 . ?
C45 C44 1.376(4) . ?
C39 H39 0.9500 . ?
C39 C34 1.385(4) . ?
C39 C38 1.394(4) . ?
C17 H17 0.9500 . ?
C17 C16 1.390(4) . ?
C17 C18 1.384(5) . ?
C9 H9 0.9500 . ?
C9 C5 1.406(5) . ?
C9 C8 1.378(5) . ?
C46 C15 1.370(4) . ?
C46 C11 1.375(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.386(5) . ?
C21 H21 0.9500 . ?
C21 C16 1.380(4) . ?
C21 C20 1.393(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.370(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.385(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.379(5) . ?
C15 H15 0.9500 . ?
C15 C14 1.383(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.364(5) . ?
C20 H20 0.9500 . ?
C14 H14 0.9500 . ?
C14 C13 1.359(5) . ?
C26 H26 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.380(4) . ?
C34 C35 1.396(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.383(4) . ?
C4 C5 1.428(4) . ?
C4 C6 1.404(4) . ?
C4 C3 1.437(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.383(4) . ?
C5 C1 1.439(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.369(5) . ?
C38 H38 0.9500 . ?
C38 C37 1.377(5) . ?
C2 H2 0.9500 . ?
C2 C1 1.414(5) . ?
C2 C3 1.409(5) . ?
C32 H32 0.9500 . ?
C32 C31 1.377(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.373(5) . ?
C37 H37 0.9500 . ?
C8 H8 0.9500 . ?
C8 C7 1.395(6) . ?
C7 H7 0.9500 . ?
C43 H43 0.9500 . ?
C43 C44 1.379(5) . ?
C43 C42 1.366(6) . ?
C31 H31 0.9500 . ?
C31 C30 1.365(5) . ?
C44 H44 0.9500 . ?
C13 H13 0.9500 . ?
C13 C12 1.360(5) . ?
C1 H1 0.9500 . ?
C41 H41 0.9500 . ?
C41 C42 1.393(5) . ?
C3 H3 0.9500 . ?
C30 H30 0.9500 . ?
C12 H12 0.9500 . ?
C42 H42 0.9500 . ?

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 Rh1 P3 99.83(3) . . ?
P2 Rh1 C4 128.41(8) . . ?
P2 Rh1 C5 101.22(8) . . ?
P2 Rh1 C1 101.28(9) . . ?
P3 Rh1 C4 112.78(8) . . ?
P3 Rh1 C5 145.47(8) . . ?
P3 Rh1 C1 157.21(9) . . ?
C5 Rh1 C4 33.94(10) . . ?
C2 Rh1 P2 132.88(10) . . ?
C2 Rh1 P3 120.50(10) . . ?
C2 Rh1 C4 58.88(11) . . ?
C2 Rh1 C5 58.97(12) . . ?
C2 Rh1 C1 36.77(12) . . ?
C1 Rh1 C4 58.78(11) . . ?
C1 Rh1 C5 35.43(11) . . ?
C3 Rh1 P2 159.99(9) . . ?
C3 Rh1 P3 99.01(9) . . ?
C3 Rh1 C4 35.42(11) . . ?
C3 Rh1 C5 58.97(12) . . ?
C3 Rh1 C2 36.86(12) . . ?
C3 Rh1 C1 61.39(12) . . ?
C28 P2 Rh1 112.93(9) . . ?
C28 P2 C40 100.47(13) . . ?
C28 P2 C34 106.08(13) . . ?
C40 P2 Rh1 113.88(9) . . ?
C34 P2 Rh1 122.04(9) . . ?
C34 P2 C40 98.53(13) . . ?
C22 P3 Rh1 120.68(10) . . ?
C22 P3 C46 100.78(13) . . ?
C22 P3 C16 99.79(14) . . ?
C46 P3 Rh1 110.84(10) . . ?
C46 P3 C16 102.74(13) . . ?
C16 P3 Rh1 119.15(10) . . ?
C33 C28 P2 125.4(2) . . ?
C33 C28 C29 118.0(3) . . ?
C29 C28 P2 116.6(2) . . ?
C27 C22 P3 119.8(2) . . ?
C27 C22 C23 118.4(3) . . ?
C23 C22 P3 121.7(2) . . ?
C45 C40 P2 118.3(2) . . ?
C41 C40 P2 123.7(2) . . ?
C41 C40 C45 118.0(3) . . ?
C28 C33 H33 119.8 . . ?
C28 C33 C32 120.3(3) . . ?
C32 C33 H33 119.8 . . ?
C22 C27 H27 119.7 . . ?
C26 C27 C22 120.6(3) . . ?
C26 C27 H27 119.7 . . ?
C40 C45 H45 119.6 . . ?
C44 C45 C40 120.8(3) . . ?
C44 C45 H45 119.6 . . ?
C34 C39 H39 119.7 . . ?
C34 C39 C38 120.6(3) . . ?
C38 C39 H39 119.7 . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C18 C17 C16 120.5(3) . . ?
C5 C9 H9 120.7 . . ?
C8 C9 H9 120.7 . . ?
C8 C9 C5 118.6(4) . . ?
C15 C46 P3 124.9(2) . . ?
C15 C46 C11 117.0(3) . . ?
C11 C46 P3 118.1(2) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 C22 120.9(3) . . ?
C24 C23 H23 119.6 . . ?
C16 C21 H21 119.9 . . ?
C16 C21 C20 120.2(3) . . ?
C20 C21 H21 119.9 . . ?
C17 C16 P3 123.0(2) . . ?
C21 C16 P3 118.3(2) . . ?
C21 C16 C17 118.7(3) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.1(3) . . ?
C19 C18 H18 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.1(3) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.3 . . ?
C26 C25 C24 119.5(3) . . ?
C26 C25 H25 120.3 . . ?
C46 C15 H15 119.5 . . ?
C46 C15 C14 121.0(3) . . ?
C14 C15 H15 119.5 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.1(3) . . ?
C20 C19 H19 120.0 . . ?
C21 C20 H20 119.8 . . ?
C19 C20 C21 120.4(4) . . ?
C19 C20 H20 119.8 . . ?
C15 C14 H14 119.4 . . ?
C13 C14 C15 121.3(3) . . ?
C13 C14 H14 119.4 . . ?
C27 C26 H26 119.7 . . ?
C25 C26 C27 120.6(4) . . ?
C25 C26 H26 119.7 . . ?
C46 C11 H11 119.1 . . ?
C46 C11 C12 121.8(3) . . ?
C12 C11 H11 119.1 . . ?
C39 C34 P2 118.8(2) . . ?
C39 C34 C35 118.5(3) . . ?
C35 C34 P2 122.6(2) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 C28 120.9(3) . . ?
C30 C29 H29 119.6 . . ?
C5 C4 Rh1 72.70(16) . . ?
C5 C4 C3 106.9(3) . . ?
C6 C4 Rh1 129.1(2) . . ?
C6 C4 C5 120.1(3) . . ?
C6 C4 C3 133.0(3) . . ?
C3 C4 Rh1 63.49(16) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 C34 120.5(3) . . ?
C36 C35 H35 119.7 . . ?
C9 C5 Rh1 128.0(2) . . ?
C9 C5 C4 119.6(3) . . ?
C9 C5 C1 132.9(3) . . ?
C4 C5 Rh1 73.36(17) . . ?
C4 C5 C1 107.5(3) . . ?
C1 C5 Rh1 64.88(16) . . ?
C4 C6 H6 120.5 . . ?
C7 C6 C4 119.0(4) . . ?
C7 C6 H6 120.5 . . ?
C39 C38 H38 120.0 . . ?
C37 C38 C39 120.0(3) . . ?
C37 C38 H38 120.0 . . ?
Rh1 C2 H2 122.7 . . ?
C1 C2 Rh1 71.98(17) . . ?
C1 C2 H2 126.1 . . ?
C3 C2 Rh1 70.87(17) . . ?
C3 C2 H2 126.1 . . ?
C3 C2 C1 107.7(3) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 C33 120.7(3) . . ?
C31 C32 H32 119.6 . . ?
C35 C36 H36 119.8 . . ?
C37 C36 C35 120.4(3) . . ?
C37 C36 H36 119.8 . . ?
C38 C37 H37 120.0 . . ?
C36 C37 C38 120.0(3) . . ?
C36 C37 H37 120.0 . . ?
C9 C8 H8 119.2 . . ?
C9 C8 C7 121.6(4) . . ?
C7 C8 H8 119.2 . . ?
C6 C7 C8 121.2(3) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
C44 C43 H43 120.4 . . ?
C42 C43 H43 120.4 . . ?
C42 C43 C44 119.3(3) . . ?
C32 C31 H31 120.4 . . ?
C30 C31 C32 119.3(3) . . ?
C30 C31 H31 120.4 . . ?
C45 C44 C43 120.6(3) . . ?
C45 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
C14 C13 H13 120.8 . . ?
C14 C13 C12 118.3(3) . . ?
C12 C13 H13 120.8 . . ?
Rh1 C1 H1 115.2 . . ?
C5 C1 Rh1 79.69(17) . . ?
C5 C1 H1 125.9 . . ?
C2 C1 Rh1 71.25(17) . . ?
C2 C1 C5 108.1(3) . . ?
C2 C1 H1 125.9 . . ?
C40 C41 H41 119.7 . . ?
C40 C41 C42 120.6(3) . . ?
C42 C41 H41 119.7 . . ?
Rh1 C3 H3 113.2 . . ?
C4 C3 Rh1 81.09(18) . . ?
C4 C3 H3 125.7 . . ?
C2 C3 Rh1 72.28(17) . . ?
C2 C3 C4 108.6(3) . . ?
C2 C3 H3 125.7 . . ?
C29 C30 H30 119.6 . . ?
C31 C30 C29 120.8(3) . . ?
C31 C30 H30 119.6 . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.6(4) . . ?
C13 C12 H12 119.7 . . ?
C43 C42 C41 120.6(3) . . ?
C43 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?

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
Rh1 P2 C28 C33 -144.3(2) . . . . ?
Rh1 P2 C28 C29 36.1(3) . . . . ?
Rh1 P2 C40 C45 70.6(2) . . . . ?
Rh1 P2 C40 C41 -109.3(3) . . . . ?
Rh1 P2 C34 C39 9.3(3) . . . . ?
Rh1 P2 C34 C35 -167.1(2) . . . . ?
Rh1 P3 C22 C27 -84.0(3) . . . . ?
Rh1 P3 C22 C23 92.3(2) . . . . ?
Rh1 P3 C46 C15 147.4(3) . . . . ?
Rh1 P3 C46 C11 -33.7(3) . . . . ?
Rh1 P3 C16 C17 164.7(2) . . . . ?
Rh1 P3 C16 C21 -14.6(3) . . . . ?
Rh1 C4 C5 C9 124.7(3) . . . . ?
Rh1 C4 C5 C1 -56.02(19) . . . . ?
Rh1 C4 C6 C7 -91.5(4) . . . . ?
Rh1 C4 C3 C2 67.8(2) . . . . ?
Rh1 C5 C1 C2 -66.2(2) . . . . ?
Rh1 C2 C1 C5 71.9(2) . . . . ?
Rh1 C2 C3 C4 -73.8(2) . . . . ?
P2 C28 C33 C32 -179.2(2) . . . . ?
P2 C28 C29 C30 179.6(3) . . . . ?
P2 C40 C45 C44 -179.8(3) . . . . ?
P2 C40 C41 C42 -179.2(3) . . . . ?
P2 C34 C35 C36 178.6(3) . . . . ?
P3 C22 C27 C26 176.7(3) . . . . ?
P3 C22 C23 C24 -175.7(3) . . . . ?
P3 C46 C15 C14 179.2(3) . . . . ?
P3 C46 C11 C12 -179.3(4) . . . . ?
C28 P2 C40 C45 -168.4(2) . . . . ?
C28 P2 C40 C41 11.7(3) . . . . ?
C28 P2 C34 C39 -121.9(2) . . . . ?
C28 P2 C34 C35 61.7(3) . . . . ?
C28 C33 C32 C31 -0.2(5) . . . . ?
C28 C29 C30 C31 -0.6(6) . . . . ?
C22 P3 C46 C15 -83.7(3) . . . . ?
C22 P3 C46 C11 95.2(3) . . . . ?
C22 P3 C16 C17 31.2(3) . . . . ?
C22 P3 C16 C21 -148.1(3) . . . . ?
C22 C27 C26 C25 -1.2(6) . . . . ?
C22 C23 C24 C25 -0.7(5) . . . . ?
C40 P2 C28 C33 94.0(3) . . . . ?
C40 P2 C28 C29 -85.6(3) . . . . ?
C40 P2 C34 C39 134.5(2) . . . . ?
C40 P2 C34 C35 -41.9(3) . . . . ?
C40 C45 C44 C43 -0.8(5) . . . . ?
C40 C41 C42 C43 -1.2(6) . . . . ?
C33 C28 C29 C30 0.0(5) . . . . ?
C33 C32 C31 C30 -0.4(5) . . . . ?
C27 C22 C23 C24 0.6(5) . . . . ?
C45 C40 C41 C42 0.8(5) . . . . ?
C39 C34 C35 C36 2.2(5) . . . . ?
C39 C38 C37 C36 1.3(5) . . . . ?
C17 C18 C19 C20 -2.6(5) . . . . ?
C9 C5 C1 Rh1 -119.5(3) . . . . ?
C9 C5 C1 C2 174.3(3) . . . . ?
C9 C8 C7 C6 -0.7(6) . . . . ?
C46 P3 C22 C27 153.7(3) . . . . ?
C46 P3 C22 C23 -30.0(3) . . . . ?
C46 P3 C16 C17 -72.4(3) . . . . ?
C46 P3 C16 C21 108.4(3) . . . . ?
C46 C15 C14 C13 0.4(7) . . . . ?
C46 C11 C12 C13 -0.3(7) . . . . ?
C23 C22 C27 C26 0.3(5) . . . . ?
C23 C24 C25 C26 -0.1(6) . . . . ?
C16 P3 C22 C27 48.6(3) . . . . ?
C16 P3 C22 C23 -135.1(3) . . . . ?
C16 P3 C46 C15 19.1(3) . . . . ?
C16 P3 C46 C11 -162.0(3) . . . . ?
C16 C17 C18 C19 1.6(5) . . . . ?
C16 C21 C20 C19 0.2(6) . . . . ?
C18 C17 C16 P3 -178.9(2) . . . . ?
C18 C17 C16 C21 0.3(5) . . . . ?
C18 C19 C20 C21 1.7(6) . . . . ?
C24 C25 C26 C27 1.1(6) . . . . ?
C15 C46 C11 C12 -0.3(6) . . . . ?
C15 C14 C13 C12 -1.1(7) . . . . ?
C20 C21 C16 P3 178.1(3) . . . . ?
C20 C21 C16 C17 -1.2(5) . . . . ?
C14 C13 C12 C11 1.0(7) . . . . ?
C11 C46 C15 C14 0.3(6) . . . . ?
C34 P2 C28 C33 -8.1(3) . . . . ?
C34 P2 C28 C29 172.3(2) . . . . ?
C34 P2 C40 C45 -60.1(2) . . . . ?
C34 P2 C40 C41 119.9(3) . . . . ?
C34 C39 C38 C37 0.0(5) . . . . ?
C34 C35 C36 C37 -0.9(5) . . . . ?
C29 C28 C33 C32 0.4(4) . . . . ?
C4 C5 C1 Rh1 61.3(2) . . . . ?
C4 C5 C1 C2 -4.9(3) . . . . ?
C4 C6 C7 C8 0.7(5) . . . . ?
C35 C36 C37 C38 -0.9(5) . . . . ?
C5 C9 C8 C7 -0.1(5) . . . . ?
C5 C4 C6 C7 0.1(5) . . . . ?
C5 C4 C3 Rh1 -60.0(2) . . . . ?
C5 C4 C3 C2 7.8(3) . . . . ?
C6 C4 C5 Rh1 -125.7(3) . . . . ?
C6 C4 C5 C9 -1.0(4) . . . . ?
C6 C4 C5 C1 178.3(3) . . . . ?
C6 C4 C3 Rh1 119.9(3) . . . . ?
C6 C4 C3 C2 -172.3(3) . . . . ?
C38 C39 C34 P2 -178.4(2) . . . . ?
C38 C39 C34 C35 -1.8(4) . . . . ?
C32 C31 C30 C29 0.8(6) . . . . ?
C8 C9 C5 Rh1 92.4(4) . . . . ?
C8 C9 C5 C4 1.0(4) . . . . ?
C8 C9 C5 C1 -178.1(3) . . . . ?
C44 C43 C42 C41 0.5(6) . . . . ?
C1 C2 C3 Rh1 63.0(2) . . . . ?
C1 C2 C3 C4 -10.8(3) . . . . ?
C41 C40 C45 C44 0.1(5) . . . . ?
C3 C4 C5 Rh1 54.29(19) . . . . ?
C3 C4 C5 C9 179.0(3) . . . . ?
C3 C4 C5 C1 -1.7(3) . . . . ?
C3 C4 C6 C7 -179.8(3) . . . . ?
C3 C2 C1 Rh1 -62.2(2) . . . . ?
C3 C2 C1 C5 9.7(3) . . . . ?
C42 C43 C44 C45 0.5(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_7aCyp
_database_code_depnum_ccdc_archive 'CCDC 2223981'
loop_
_audit_author_name
_audit_author_address
'Macarena Gonzalez Alferez'
;csic
Spain
;
_audit_update_record             
;
2023-02-21 deposited with the CCDC.	2023-02-22 downloaded from the CCDC.
;
_vrf_PLAT213_7aCyp               
;
PROBLEM: Type_2 Test ratio adp max/min in main residue(s)
RESPONSE: This value is due to the unresolved disorder
. Modeling of disorder was attempted but unsuccessful.
;
_vrf_PLAT214_7aCyp               
;
PROBLEM: Type_2 Test ratio adp max/min in main residue(s)
RESPONSE: This value is due to the unresolved disorder
. Modeling of disorder was attempted but unsuccessful.
;
_vrf_PLAT220_7aCyp               
;
PROBLEM: Type_2 Test ratio adp max/min in main residue(s)
RESPONSE: This value is due to the unresolved disorder
. Modeling of disorder was attempted but unsuccessful.
;
_vrf_PLAT230_7aCyp               
;
PROBLEM: Type_2 Test ratio adp max/min in main residue(s)
RESPONSE: This value is due to the unresolved disorder
. Modeling of disorder was attempted but unsuccessful.
;
_vrf_PLAT234_7aCyp               
;
PROBLEM: Type_2 Test ratio adp max/min in main residue(s)
RESPONSE: This value is due to the unresolved disorder
. Modeling of disorder was attempted but unsuccessful.
;
_vrf_PLAT241_7aCyp               
;
PROBLEM: Type_2 Test ratio adp max/min in main residue(s)
RESPONSE: This value is due to the unresolved disorder
. Modeling of disorder was attempted but unsuccessful.
;
_vrf_PLAT242_7aCyp               
;
PROBLEM: Type_2 Test ratio adp max/min in main residue(s)
RESPONSE: This value is due to the unresolved disorder
. Modeling of disorder was attempted but unsuccessful.
;
_vrf_PLAT342_7aCyp               
;
PROBLEM: Type_2 Test ratio adp max/min in main residue(s)
RESPONSE: This value is due to the unresolved disorder
. Modeling of disorder was attempted but unsuccessful.
;

_audit_creation_date             2022-11-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C47 H64 Au P3 Rh), 2(C2 F6 N O4 S2), 2(C6 H6)'
_chemical_formula_sum            'C110 H140 Au2 F12 N2 O8 P6 Rh2 S4'
_chemical_formula_weight         2760.04
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.1319(13)
_cell_length_b                   17.4134(15)
_cell_length_c                   23.475(2)
_cell_angle_alpha                85.692(4)
_cell_angle_beta                 88.744(4)
_cell_angle_gamma                86.622(4)
_cell_volume                     5749.6(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    115
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      25.88
_cell_measurement_theta_min      3.03
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.055
_exptl_absorpt_correction_T_max  0.754
_exptl_absorpt_correction_T_min  0.524
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2008/4 (Bruker,2010) was used for absorption correction.

Final HKLF 4 output contains 316790 reflections, Rint = 0.1526
 (71194 with I > 3sig(I), Rint = 0.0982)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       prysm
_exptl_crystal_F_000             2776
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.1328
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            28874
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.434
_diffrn_reflns_theta_min         1.808
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                18490
_reflns_number_total             28874
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.781
_refine_diff_density_min         -2.192
_refine_diff_density_rms         0.205
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1337
_refine_ls_number_reflns         28874
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1510
_refine_ls_R_factor_gt           0.0863
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+89.7588P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1661
_refine_ls_wR_factor_ref         0.1991
_refine_special_details          
;
 Refined as a 3-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.6865(13)
 0.3090(12) 0.0045(6)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Rigid bond restraints
 S2, C49
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4.a Ternary CH refined with riding coordinates:
 C37(H37), C42(H42), C88(H88), C93(H93)
4.b Secondary CH2 refined with riding coordinates:
 C38(H38A,H38B), C39(H39A,H39B), C40(H40A,H40B), C41(H41A,H41B), C43(H43A,
 H43B), C44(H44A,H44B), C45(H45A,H45B), C46(H46A,H46B), C18(H18A,H18B),
 C89(H89A,H89B), C90(H90A,H90B), C92(H92A,H92B), C94(H94A,H94B), C95(H95A,H95B),
  C96(H96A,H96B), C97(H97A,H97B)
4.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C1(H1), C6(H6), C7(H7), C8(H8), C9(H9), C17(H17), C19(H19),
 C23(H23), C24(H24), C25(H25), C31(H31), C32(H32), C33(H33), C91(H91), C50(H50),
  C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C58(H58), C68(H68),
 C69(H69), C70(H70), C74(H74), C75(H75), C76(H76), C82(H82), C83(H83), C84(H84),
  C100(H100), C101(H101), C102(H102), C103(H103), C104(H104), C105(H105),
 C106(H106), C107(H107), C108(H108), C109(H109), C110(H110), C111(H111)
4.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,
 H13C), C14(H14A,H14B,H14C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C35(H35A,
 H35B,H35C), C36(H36A,H36B,H36C), C65(H65A,H65B,H65C), C59(H59A,H59B,H59C),
 C60(H60A,H60B,H60C), C61(H61A,H61B,H61C), C62(H62A,H62B,H62C), C63(H63A,H63B,
 H63C), C64(H64A,H64B,H64C), C78(H78A,H78B,H78C), C79(H79A,H79B,H79C), C86(H86A,
 H86B,H86C), C87(H87A,H87B,H87C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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 0.83559(4) 0.79035(3) 0.43730(2) 0.03665(14) Uani 1 1 d . . . . .
Rh1 Rh 0.86159(8) 0.68533(6) 0.52090(4) 0.0350(3) Uani 1 1 d . . . . .
P1 P 0.8782(3) 0.7792(2) 0.57994(15) 0.0396(9) Uani 1 1 d . . . . .
P2 P 0.7041(3) 0.6760(2) 0.53687(16) 0.0416(9) Uani 1 1 d . . . . .
P3 P 0.8381(3) 0.8949(2) 0.37129(14) 0.0343(8) Uani 1 1 d . . . . .
C2 C 0.9546(12) 0.6263(10) 0.4569(7) 0.055(5) Uani 1 1 d . . . . .
H2 H 0.958118 0.642252 0.417321 0.066 Uiso 1 1 calc R U . . .
C3 C 0.8938(11) 0.5751(10) 0.4812(6) 0.048(4) Uani 1 1 d . . . . .
H3 H 0.842012 0.555299 0.462966 0.057 Uiso 1 1 calc R U . . .
C4 C 0.9221(10) 0.5562(9) 0.5396(6) 0.043(4) Uani 1 1 d . . . . .
C5 C 0.9968(10) 0.6052(7) 0.5508(6) 0.035(3) Uani 1 1 d . . . . .
C1 C 1.0123(10) 0.6526(10) 0.4999(7) 0.047(4) Uani 1 1 d . . . . .
H1 H 1.053315 0.694040 0.495313 0.057 Uiso 1 1 calc R U . . .
C6 C 0.8896(12) 0.5042(9) 0.5834(7) 0.052(4) Uani 1 1 d . . . . .
H6 H 0.839786 0.471736 0.577029 0.063 Uiso 1 1 calc R U . . .
C7 C 0.9318(13) 0.5017(10) 0.6356(7) 0.060(5) Uani 1 1 d . . . . .
H7 H 0.909682 0.467185 0.665539 0.072 Uiso 1 1 calc R U . . .
C8 C 1.0052(12) 0.5473(11) 0.6464(8) 0.060(5) Uani 1 1 d . . . . .
H8 H 1.033277 0.542659 0.683036 0.073 Uiso 1 1 calc R U . . .
C9 C 1.0384(11) 0.6001(9) 0.6043(7) 0.048(4) Uani 1 1 d . . . . .
H9 H 1.088398 0.631861 0.611817 0.058 Uiso 1 1 calc R U . . .
C10 C 0.8729(13) 0.7416(9) 0.6553(6) 0.054(4) Uani 1 1 d . . . . .
H10A H 0.815445 0.713094 0.662277 0.081 Uiso 1 1 calc R U . . .
H10B H 0.871476 0.784656 0.679979 0.081 Uiso 1 1 calc R U . . .
H10C H 0.928805 0.707022 0.663879 0.081 Uiso 1 1 calc R U . . .
C11 C 0.9937(12) 0.8172(10) 0.5771(7) 0.057(4) Uani 1 1 d . . . . .
H11A H 1.041616 0.775344 0.586404 0.085 Uiso 1 1 calc R U . . .
H11B H 0.996255 0.856387 0.604770 0.085 Uiso 1 1 calc R U . . .
H11C H 1.006339 0.840468 0.538590 0.085 Uiso 1 1 calc R U . . .
C12 C 0.6665(12) 0.6596(12) 0.6112(6) 0.066(5) Uani 1 1 d . . . . .
H12A H 0.702677 0.614651 0.628853 0.098 Uiso 1 1 calc R U . . .
H12B H 0.598770 0.650328 0.613077 0.098 Uiso 1 1 calc R U . . .
H12C H 0.677869 0.705169 0.631640 0.098 Uiso 1 1 calc R U . . .
C13 C 0.6530(14) 0.5969(13) 0.5063(9) 0.088(7) Uani 1 1 d . . . . .
H13A H 0.654762 0.605176 0.464568 0.132 Uiso 1 1 calc R U . . .
H13B H 0.587113 0.593485 0.519726 0.132 Uiso 1 1 calc R U . . .
H13C H 0.689239 0.548750 0.517995 0.132 Uiso 1 1 calc R U . . .
C14 C 0.6229(12) 0.7534(11) 0.5139(9) 0.072(6) Uani 1 1 d . . . . .
H14A H 0.649248 0.802529 0.521099 0.109 Uiso 1 1 calc R U . . .
H14B H 0.562727 0.748421 0.534974 0.109 Uiso 1 1 calc R U . . .
H14C H 0.612074 0.751997 0.472892 0.109 Uiso 1 1 calc R U . . .
C15 C 0.8217(10) 0.8901(8) 0.2920(6) 0.037(3) Uani 1 1 d . . . . .
C16 C 0.8041(10) 0.8204(7) 0.2711(5) 0.034(3) Uani 1 1 d . . . . .
C17 C 0.8117(12) 0.8121(9) 0.2112(6) 0.049(4) Uani 1 1 d . . . . .
H17 H 0.800676 0.764088 0.196499 0.058 Uiso 1 1 calc R U . . .
C19 C 0.8449(11) 0.9432(8) 0.1943(5) 0.044(4) Uani 1 1 d . . . . .
H19 H 0.855802 0.985573 0.167494 0.053 Uiso 1 1 calc R U . . .
C20 C 0.8399(10) 0.9549(8) 0.2530(5) 0.037(3) Uani 1 1 d . . . . .
C21 C 0.7683(11) 0.7494(8) 0.3042(6) 0.042(3) Uani 1 1 d . . . . .
C22 C 0.8300(13) 0.6847(9) 0.3143(6) 0.048(4) Uani 1 1 d . . . . .
C23 C 0.7948(15) 0.6163(10) 0.3398(7) 0.059(5) Uani 1 1 d . . . . .
H23 H 0.835677 0.571839 0.348186 0.071 Uiso 1 1 calc R U . . .
C24 C 0.6996(17) 0.6158(10) 0.3523(7) 0.070(6) Uani 1 1 d . . . . .
H24 H 0.674811 0.569459 0.368644 0.084 Uiso 1 1 calc R U . . .
C25 C 0.6386(14) 0.6793(10) 0.3423(7) 0.057(4) Uani 1 1 d . . . . .
H25 H 0.573505 0.676678 0.352780 0.069 Uiso 1 1 calc R U . . .
C26 C 0.6724(11) 0.7489(9) 0.3165(6) 0.045(4) Uani 1 1 d . . . . .
C27 C 0.9343(12) 0.6834(9) 0.2978(7) 0.057(5) Uani 1 1 d . . . . .
H27A H 0.941408 0.702147 0.257636 0.086 Uiso 1 1 calc R U . . .
H27B H 0.962025 0.630487 0.303301 0.086 Uiso 1 1 calc R U . . .
H27C H 0.966959 0.716703 0.321878 0.086 Uiso 1 1 calc R U . . .
C28 C 0.6042(12) 0.8155(10) 0.3005(8) 0.062(5) Uani 1 1 d . . . . .
H28A H 0.598868 0.821840 0.258886 0.093 Uiso 1 1 calc R U . . .
H28B H 0.627194 0.862592 0.314457 0.093 Uiso 1 1 calc R U . . .
H28C H 0.541946 0.805772 0.317853 0.093 Uiso 1 1 calc R U . . .
C29 C 0.8443(13) 1.0369(9) 0.2660(5) 0.046(4) Uani 1 1 d . . . . .
C30 C 0.7581(15) 1.0817(9) 0.2746(6) 0.055(5) Uani 1 1 d . . . . .
C31 C 0.761(2) 1.1596(11) 0.2855(7) 0.083(8) Uani 1 1 d . . . . .
H31 H 0.704202 1.189431 0.291939 0.100 Uiso 1 1 calc R U . . .
C32 C 0.847(3) 1.1929(15) 0.2870(9) 0.109(11) Uani 1 1 d . . . . .
H32 H 0.849882 1.244830 0.296544 0.131 Uiso 1 1 calc R U . . .
C33 C 0.928(2) 1.1515(14) 0.2747(8) 0.090(9) Uani 1 1 d . . . . .
H33 H 0.986339 1.176636 0.273363 0.108 Uiso 1 1 calc R U . . .
C34 C 0.9307(16) 1.0724(11) 0.2638(7) 0.066(6) Uani 1 1 d . . . . .
C35 C 0.6613(12) 1.0497(11) 0.2654(7) 0.060(5) Uani 1 1 d . . . . .
H35A H 0.649242 1.050858 0.224410 0.089 Uiso 1 1 calc R U . . .
H35B H 0.611667 1.081275 0.283942 0.089 Uiso 1 1 calc R U . . .
H35C H 0.660998 0.996360 0.282111 0.089 Uiso 1 1 calc R U . . .
C36 C 1.0219(15) 1.0341(15) 0.2457(8) 0.093(8) Uani 1 1 d . . . . .
H36A H 1.019039 0.978042 0.252524 0.139 Uiso 1 1 calc R U . . .
H36B H 1.073610 1.051615 0.267745 0.139 Uiso 1 1 calc R U . . .
H36C H 1.033421 1.047310 0.204928 0.139 Uiso 1 1 calc R U . . .
C37 C 0.9593(10) 0.9280(8) 0.3715(5) 0.036(3) Uani 1 1 d . . . . .
H37 H 0.961563 0.977914 0.347676 0.043 Uiso 1 1 calc R U . . .
C38 C 1.0302(10) 0.8685(10) 0.3466(7) 0.048(4) Uani 1 1 d . . . . .
H38A H 1.016513 0.815374 0.361231 0.058 Uiso 1 1 calc R U . . .
H38B H 1.028322 0.872157 0.304373 0.058 Uiso 1 1 calc R U . . .
C39 C 1.1254(13) 0.8903(14) 0.3671(8) 0.076(6) Uani 1 1 d . . . . .
H39A H 1.148874 0.934651 0.343181 0.092 Uiso 1 1 calc R U . . .
H39B H 1.172998 0.846291 0.366201 0.092 Uiso 1 1 calc R U . . .
C40 C 1.1053(13) 0.9114(14) 0.4280(9) 0.081(6) Uani 1 1 d . . . . .
H40A H 1.118530 0.866081 0.455311 0.097 Uiso 1 1 calc R U . . .
H40B H 1.145347 0.953228 0.437467 0.097 Uiso 1 1 calc R U . . .
C41 C 1.0015(10) 0.9377(10) 0.4308(6) 0.048(4) Uani 1 1 d . . . . .
H41A H 0.994435 0.992440 0.439792 0.058 Uiso 1 1 calc R U . . .
H41B H 0.968175 0.906225 0.460881 0.058 Uiso 1 1 calc R U . . .
C42 C 0.7558(10) 0.9726(8) 0.3942(5) 0.036(3) Uani 1 1 d . . . . .
H42 H 0.743319 1.008859 0.359748 0.044 Uiso 1 1 calc R U . . .
C43 C 0.7890(16) 1.0199(14) 0.4397(10) 0.096(8) Uani 1 1 d . . . . .
H43A H 0.830781 1.059854 0.423225 0.116 Uiso 1 1 calc R U . . .
H43B H 0.823994 0.986957 0.469330 0.116 Uiso 1 1 calc R U . . .
C44 C 0.698(2) 1.057(2) 0.4646(13) 0.144(15) Uani 1 1 d . . . . .
H44A H 0.707983 1.072652 0.503493 0.173 Uiso 1 1 calc R U . . .
H44B H 0.673795 1.101706 0.439869 0.173 Uiso 1 1 calc R U . . .
C45 C 0.634(2) 0.991(2) 0.4654(8) 0.133(14) Uani 1 1 d . . . . .
H45A H 0.566823 1.011694 0.462629 0.159 Uiso 1 1 calc R U . . .
H45B H 0.640520 0.958614 0.501609 0.159 Uiso 1 1 calc R U . . .
C46 C 0.6595(14) 0.9440(11) 0.4153(10) 0.082(7) Uani 1 1 d . . . . .
H46A H 0.611597 0.953206 0.384983 0.099 Uiso 1 1 calc R U . . .
H46B H 0.664761 0.888276 0.427385 0.099 Uiso 1 1 calc R U . . .
C65 C 0.8020(14) 0.8641(10) 0.5814(8) 0.068(5) Uani 1 1 d . . . . .
H65A H 0.799558 0.890669 0.543072 0.103 Uiso 1 1 calc R U . . .
H65B H 0.826260 0.898299 0.608225 0.103 Uiso 1 1 calc R U . . .
H65C H 0.738101 0.850073 0.593579 0.103 Uiso 1 1 calc R U . . .
C91 C 0.8347(12) 0.8731(9) 0.1753(5) 0.048(4) Uani 1 1 d . . . . .
H91 H 0.843802 0.866199 0.135737 0.058 Uiso 1 1 calc R U . . .
Au2 Au 0.66856(4) 0.26181(3) 0.94324(2) 0.03724(14) Uani 1 1 d . . . . .
Rh2 Rh 0.64184(9) 0.16253(7) 1.02875(4) 0.0377(3) Uani 1 1 d . . . . .
P4 P 0.5967(3) 0.2603(2) 1.08194(17) 0.0514(11) Uani 1 1 d . . . . .
P5 P 0.7957(3) 0.1576(2) 1.05376(15) 0.0430(9) Uani 1 1 d . . . . .
P6 P 0.6617(3) 0.3584(2) 0.87159(14) 0.0342(8) Uani 1 1 d . . . . .
C18 C 0.3875(15) 0.3297(17) 0.8337(11) 0.112(9) Uani 1 1 d . . . . .
H18A H 0.363649 0.354035 0.796899 0.134 Uiso 1 1 calc R U . . .
H18B H 0.353050 0.282486 0.843454 0.134 Uiso 1 1 calc R U . . .
C50 C 0.5047(12) 0.1244(11) 0.9980(8) 0.062(5) Uani 1 1 d . . . . .
H50 H 0.455575 0.162971 0.989622 0.075 Uiso 1 1 calc R U . . .
C51 C 0.5175(11) 0.0790(10) 1.0532(7) 0.050(4) Uani 1 1 d . . . . .
C52 C 0.6011(11) 0.0318(8) 1.0463(6) 0.042(3) Uani 1 1 d . . . . .
C53 C 0.6388(11) 0.0504(9) 0.9897(6) 0.045(4) Uani 1 1 d . . . . .
H53 H 0.697507 0.030767 0.974567 0.054 Uiso 1 1 calc R U . . .
C54 C 0.5745(11) 0.1021(9) 0.9611(7) 0.049(4) Uani 1 1 d . . . . .
H54 H 0.578709 0.119209 0.921759 0.058 Uiso 1 1 calc R U . . .
C55 C 0.4648(12) 0.0737(12) 1.1065(8) 0.064(5) Uani 1 1 d . . . . .
H55 H 0.409626 0.105823 1.113040 0.076 Uiso 1 1 calc R U . . .
C56 C 0.4994(14) 0.0196(11) 1.1467(8) 0.064(5) Uani 1 1 d . . . . .
H56 H 0.465380 0.013986 1.181969 0.077 Uiso 1 1 calc R U . . .
C57 C 0.5788(14) -0.0270(11) 1.1404(7) 0.061(5) Uani 1 1 d . . . . .
H57 H 0.597273 -0.064259 1.170320 0.073 Uiso 1 1 calc R U . . .
C58 C 0.6320(13) -0.0207(9) 1.0917(6) 0.052(4) Uani 1 1 d . . . . .
H58 H 0.689412 -0.051303 1.088201 0.063 Uiso 1 1 calc R U . . .
C59 C 0.4827(15) 0.3065(12) 1.0657(9) 0.083(7) Uani 1 1 d . . . . .
H59A H 0.486571 0.337491 1.029156 0.125 Uiso 1 1 calc R U . . .
H59B H 0.462790 0.340101 1.095973 0.125 Uiso 1 1 calc R U . . .
H59C H 0.436361 0.267295 1.063020 0.125 Uiso 1 1 calc R U . . .
C60 C 0.6682(18) 0.3417(11) 1.0884(7) 0.086(7) Uani 1 1 d . . . . .
H60A H 0.715769 0.328553 1.117847 0.128 Uiso 1 1 calc R U . . .
H60B H 0.627584 0.386086 1.099103 0.128 Uiso 1 1 calc R U . . .
H60C H 0.700125 0.354692 1.051745 0.128 Uiso 1 1 calc R U . . .
C61 C 0.5790(14) 0.2285(10) 1.1580(6) 0.063(5) Uani 1 1 d . . . . .
H61A H 0.530288 0.190478 1.161555 0.094 Uiso 1 1 calc R U . . .
H61B H 0.558540 0.272968 1.179301 0.094 Uiso 1 1 calc R U . . .
H61C H 0.638637 0.204993 1.173435 0.094 Uiso 1 1 calc R U . . .
C62 C 0.8167(14) 0.1570(10) 1.1302(6) 0.062(5) Uani 1 1 d . . . . .
H62A H 0.801311 0.208591 1.143006 0.092 Uiso 1 1 calc R U . . .
H62B H 0.883436 0.142079 1.137674 0.092 Uiso 1 1 calc R U . . .
H62C H 0.776473 0.119897 1.150932 0.092 Uiso 1 1 calc R U . . .
C63 C 0.8750(11) 0.2305(10) 1.0246(7) 0.056(4) Uani 1 1 d . . . . .
H63A H 0.884483 0.225701 0.983469 0.085 Uiso 1 1 calc R U . . .
H63B H 0.936157 0.222904 1.043633 0.085 Uiso 1 1 calc R U . . .
H63C H 0.846780 0.282005 1.030895 0.085 Uiso 1 1 calc R U . . .
C64 C 0.8629(11) 0.0688(10) 1.0386(7) 0.055(4) Uani 1 1 d . . . . .
H64A H 0.834177 0.024862 1.059372 0.082 Uiso 1 1 calc R U . . .
H64B H 0.928504 0.071245 1.050693 0.082 Uiso 1 1 calc R U . . .
H64C H 0.862185 0.062468 0.997446 0.082 Uiso 1 1 calc R U . . .
C66 C 0.7199(9) 0.3479(7) 0.7999(5) 0.032(3) Uani 1 1 d . . . . .
C67 C 0.7700(9) 0.2792(8) 0.7885(6) 0.036(3) Uani 1 1 d . . . . .
C68 C 0.8089(11) 0.2684(9) 0.7344(6) 0.047(4) Uani 1 1 d . . . . .
H68 H 0.843870 0.221626 0.727375 0.056 Uiso 1 1 calc R U . . .
C69 C 0.7961(12) 0.3263(9) 0.6907(6) 0.049(4) Uani 1 1 d . . . . .
H69 H 0.821092 0.318972 0.653517 0.059 Uiso 1 1 calc R U . . .
C70 C 0.7477(12) 0.3934(9) 0.7017(6) 0.048(4) Uani 1 1 d . . . . .
H70 H 0.738864 0.432155 0.671320 0.057 Uiso 1 1 calc R U . . .
C71 C 0.7108(10) 0.4077(9) 0.7548(6) 0.042(3) Uani 1 1 d . . . . .
C72 C 0.7898(10) 0.2075(9) 0.8287(6) 0.041(3) Uani 1 1 d . . . . .
C73 C 0.7327(12) 0.1452(9) 0.8254(6) 0.046(4) Uani 1 1 d . . . . .
C74 C 0.7622(14) 0.0732(9) 0.8516(7) 0.058(5) Uani 1 1 d . . . . .
H74 H 0.725488 0.029684 0.848717 0.069 Uiso 1 1 calc R U . . .
C75 C 0.8465(14) 0.0662(9) 0.8819(6) 0.056(5) Uani 1 1 d . . . . .
H75 H 0.866627 0.017812 0.900390 0.068 Uiso 1 1 calc R U . . .
C76 C 0.9007(12) 0.1286(10) 0.8853(7) 0.054(4) Uani 1 1 d . . . . .
H76 H 0.957662 0.122584 0.906306 0.065 Uiso 1 1 calc R U . . .
C77 C 0.8744(10) 0.1996(9) 0.8588(5) 0.041(3) Uani 1 1 d . . . . .
C78 C 0.6445(14) 0.1492(9) 0.7893(7) 0.062(5) Uani 1 1 d . . . . .
H78A H 0.591320 0.173659 0.810000 0.094 Uiso 1 1 calc R U . . .
H78B H 0.629262 0.096906 0.781347 0.094 Uiso 1 1 calc R U . . .
H78C H 0.656027 0.179556 0.753210 0.094 Uiso 1 1 calc R U . . .
C79 C 0.9397(11) 0.2644(10) 0.8587(7) 0.056(4) Uani 1 1 d . . . . .
H79A H 0.944303 0.289566 0.820102 0.084 Uiso 1 1 calc R U . . .
H79B H 1.002748 0.243919 0.870931 0.084 Uiso 1 1 calc R U . . .
H79C H 0.914839 0.301982 0.885124 0.084 Uiso 1 1 calc R U . . .
C80 C 0.6658(12) 0.4882(9) 0.7578(6) 0.048(4) Uani 1 1 d . . . . .
C81 C 0.5753(12) 0.5064(10) 0.7387(6) 0.052(4) Uani 1 1 d . . . . .
C82 C 0.5399(16) 0.5818(14) 0.7392(9) 0.080(7) Uani 1 1 d . . . . .
H82 H 0.477917 0.595056 0.725532 0.096 Uiso 1 1 calc R U . . .
C83 C 0.592(2) 0.6382(12) 0.7590(9) 0.083(7) Uani 1 1 d . . . . .
H83 H 0.563675 0.688790 0.761729 0.100 Uiso 1 1 calc R U . . .
C84 C 0.682(2) 0.6219(11) 0.7744(8) 0.082(7) Uani 1 1 d . . . . .
H84 H 0.718352 0.661937 0.786310 0.098 Uiso 1 1 calc R U . . .
C85 C 0.7236(14) 0.5482(10) 0.7732(6) 0.056(5) Uani 1 1 d . . . . .
C86 C 0.5202(12) 0.4505(12) 0.7110(8) 0.065(5) Uani 1 1 d . . . . .
H86A H 0.522873 0.461615 0.669476 0.098 Uiso 1 1 calc R U . . .
H86B H 0.454034 0.454745 0.724441 0.098 Uiso 1 1 calc R U . . .
H86C H 0.547002 0.398120 0.720748 0.098 Uiso 1 1 calc R U . . .
C87 C 0.8280(14) 0.5335(11) 0.7838(8) 0.072(6) Uani 1 1 d . . . . .
H87A H 0.843466 0.477742 0.788068 0.108 Uiso 1 1 calc R U . . .
H87B H 0.844380 0.556704 0.818756 0.108 Uiso 1 1 calc R U . . .
H87C H 0.864251 0.556366 0.751396 0.108 Uiso 1 1 calc R U . . .
C88 C 0.5371(10) 0.3792(9) 0.8528(6) 0.041(3) Uani 1 1 d . . . . .
H88 H 0.533075 0.423430 0.823122 0.049 Uiso 1 1 calc R U . . .
C89 C 0.4661(13) 0.3973(13) 0.9029(8) 0.072(6) Uani 1 1 d . . . . .
H89A H 0.479636 0.362186 0.937254 0.087 Uiso 1 1 calc R U . . .
H89B H 0.469393 0.451270 0.912870 0.087 Uiso 1 1 calc R U . . .
C90 C 0.3720(17) 0.384(3) 0.8795(15) 0.20(2) Uani 1 1 d . . . . .
H90A H 0.341574 0.433662 0.863526 0.236 Uiso 1 1 calc R U . . .
H90B H 0.330151 0.362110 0.910022 0.236 Uiso 1 1 calc R U . . .
C92 C 0.4951(12) 0.3090(11) 0.8286(7) 0.058(5) Uani 1 1 d . . . . .
H92A H 0.513264 0.260583 0.851527 0.070 Uiso 1 1 calc R U . . .
H92B H 0.515267 0.303998 0.788297 0.070 Uiso 1 1 calc R U . . .
C93 C 0.7053(12) 0.4449(9) 0.8984(6) 0.047(4) Uani 1 1 d . . . . .
H93 H 0.706135 0.486249 0.866476 0.057 Uiso 1 1 calc R U . . .
C94 C 0.6491(15) 0.4768(9) 0.9500(7) 0.063(5) Uani 1 1 d . . . . .
H94A H 0.592951 0.509518 0.936892 0.076 Uiso 1 1 calc R U . . .
H94B H 0.627671 0.434057 0.976494 0.076 Uiso 1 1 calc R U . . .
C95 C 0.717(2) 0.5228(16) 0.9784(11) 0.120(10) Uani 1 1 d . . . . .
H95A H 0.709167 0.514960 1.020401 0.144 Uiso 1 1 calc R U . . .
H95B H 0.704662 0.578343 0.966956 0.144 Uiso 1 1 calc R U . . .
C96 C 0.8145(19) 0.4958(12) 0.9599(9) 0.088(7) Uani 1 1 d . . . . .
H96A H 0.846759 0.538473 0.938791 0.106 Uiso 1 1 calc R U . . .
H96B H 0.852747 0.477141 0.993521 0.106 Uiso 1 1 calc R U . . .
C97 C 0.8031(14) 0.4328(10) 0.9227(8) 0.066(5) Uani 1 1 d . . . . .
H97A H 0.810090 0.382280 0.945016 0.079 Uiso 1 1 calc R U . . .
H97B H 0.851640 0.434020 0.891677 0.079 Uiso 1 1 calc R U . . .
S1 S 0.8238(4) 0.8296(3) 0.9951(2) 0.0703(13) Uani 1 1 d . . . . .
S2 S 0.8153(5) 0.8183(4) 0.8783(2) 0.0908(18) Uani 1 1 d . U . . .
F1 F 0.8222(13) 0.7247(10) 1.0787(5) 0.142(7) Uani 1 1 d . . . . .
F2 F 0.7746(17) 0.6886(10) 1.0020(7) 0.186(10) Uani 1 1 d . . . . .
F3 F 0.9230(16) 0.7028(12) 1.0144(9) 0.162(8) Uani 1 1 d . . . . .
F4 F 0.8692(12) 0.7377(11) 0.7977(6) 0.147(7) Uani 1 1 d . . . . .
F5 F 0.9792(12) 0.7723(12) 0.8458(6) 0.145(7) Uani 1 1 d . . . . .
F6 F 0.8928(14) 0.6802(8) 0.8812(6) 0.139(6) Uani 1 1 d . . . . .
O1 O 0.7334(14) 0.8575(15) 0.9970(13) 0.204(13) Uani 1 1 d . . . . .
O2 O 0.8904(13) 0.8657(10) 1.0263(7) 0.113(6) Uani 1 1 d . . . . .
O3 O 0.7290(13) 0.7715(12) 0.8860(8) 0.128(7) Uani 1 1 d . . . . .
O4 O 0.8116(14) 0.8807(9) 0.8384(7) 0.121(6) Uani 1 1 d . . . . .
N1 N 0.8714(15) 0.8284(14) 0.9324(8) 0.111(7) Uani 1 1 d . . . . .
C48 C 0.834(2) 0.7326(17) 1.0248(9) 0.107(9) Uani 1 1 d . . . . .
C49 C 0.872(3) 0.7455(14) 0.862(2) 0.24(3) Uani 1 1 d . U . . .
S3 S 0.3286(3) 0.7069(3) 0.5715(2) 0.0668(13) Uani 1 1 d . . . . .
S4 S 0.3464(6) 0.6813(4) 0.4557(2) 0.099(2) Uani 1 1 d . . . . .
F7 F 0.2828(13) 0.6098(13) 0.6542(6) 0.178(9) Uani 1 1 d . . . . .
F8 F 0.2747(10) 0.5675(7) 0.5712(6) 0.101(4) Uani 1 1 d . . . . .
F9 F 0.4101(11) 0.5770(9) 0.6083(7) 0.136(6) Uani 1 1 d . . . . .
F10 F 0.3257(17) 0.8286(11) 0.4351(7) 0.179(9) Uani 1 1 d . . . . .
F11 F 0.4606(11) 0.7843(12) 0.4204(6) 0.146(8) Uani 1 1 d . . . . .
F12 F 0.3567(9) 0.7678(8) 0.3618(4) 0.098(4) Uani 1 1 d . . . . .
O5 O 0.3875(11) 0.7418(11) 0.6101(6) 0.108(6) Uani 1 1 d . . . . .
O6 O 0.2320(10) 0.7343(9) 0.5660(8) 0.103(5) Uani 1 1 d . . . . .
O7 O 0.415(2) 0.6266(13) 0.4269(8) 0.202(14) Uani 1 1 d . . . . .
O8 O 0.2540(15) 0.6755(18) 0.4506(7) 0.211(15) Uani 1 1 d . . . . .
N2 N 0.3873(10) 0.6922(10) 0.5163(6) 0.069(4) Uani 1 1 d . . . . .
C98 C 0.3288(18) 0.6090(14) 0.6001(11) 0.093(8) Uani 1 1 d . . . . .
C99 C 0.3747(14) 0.7673(13) 0.4170(8) 0.070(5) Uani 1 1 d . . . . .
C100 C 0.5500(15) 0.9019(15) 0.6385(9) 0.082(6) Uani 1 1 d . . . . .
H100 H 0.508701 0.889565 0.609603 0.098 Uiso 1 1 calc R U . . .
C101 C 0.5859(15) 0.9731(14) 0.6351(9) 0.079(6) Uani 1 1 d . . . . .
H101 H 0.567069 1.010286 0.605221 0.094 Uiso 1 1 calc R U . . .
C102 C 0.6486(16) 0.9906(13) 0.6743(10) 0.079(6) Uani 1 1 d . . . . .
H102 H 0.675196 1.039665 0.671764 0.095 Uiso 1 1 calc R U . . .
C103 C 0.6734(16) 0.9355(16) 0.7185(8) 0.089(7) Uani 1 1 d . . . . .
H103 H 0.717141 0.946755 0.746533 0.107 Uiso 1 1 calc R U . . .
C104 C 0.6342(19) 0.8648(14) 0.7213(11) 0.091(7) Uani 1 1 d . . . . .
H104 H 0.651601 0.827330 0.751354 0.109 Uiso 1 1 calc R U . . .
C105 C 0.5716(17) 0.8475(11) 0.6824(11) 0.082(7) Uani 1 1 d . . . . .
H105 H 0.543256 0.799244 0.685292 0.098 Uiso 1 1 calc R U . . .
C106 C 0.847(3) 0.547(3) 0.187(3) 0.17(2) Uani 1 1 d . . . . .
H106 H 0.830523 0.598717 0.195817 0.201 Uiso 1 1 calc R U . . .
C107 C 0.812(3) 0.487(4) 0.2181(14) 0.155(16) Uani 1 1 d . . . . .
H107 H 0.768663 0.496323 0.248727 0.186 Uiso 1 1 calc R U . . .
C108 C 0.834(3) 0.416(2) 0.207(2) 0.163(17) Uani 1 1 d . . . . .
H108 H 0.807305 0.375229 0.230313 0.196 Uiso 1 1 calc R U . . .
C109 C 0.890(3) 0.398(2) 0.1679(19) 0.131(12) Uani 1 1 d . . . . .
H109 H 0.906968 0.344907 0.164867 0.157 Uiso 1 1 calc R U . . .
C110 C 0.927(3) 0.449(4) 0.1295(15) 0.161(17) Uani 1 1 d . . . . .
H110 H 0.960347 0.434358 0.096329 0.194 Uiso 1 1 calc R U . . .
C111 C 0.911(3) 0.530(3) 0.142(3) 0.20(3) Uani 1 1 d . . . . .
H111 H 0.942699 0.569990 0.120412 0.237 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Rh1 2.5970(12) . ?
Au1 P3 2.302(3) . ?
Rh1 P1 2.246(4) . ?
Rh1 P2 2.262(4) . ?
Rh1 C2 2.242(13) . ?
Rh1 C3 2.216(16) . ?
Rh1 C4 2.371(15) . ?
Rh1 C5 2.385(13) . ?
Rh1 C1 2.226(14) . ?
P1 C10 1.842(15) . ?
P1 C11 1.796(17) . ?
P1 C65 1.780(18) . ?
P2 C12 1.819(15) . ?
P2 C13 1.795(18) . ?
P2 C14 1.778(18) . ?
P3 C15 1.889(13) . ?
P3 C37 1.839(14) . ?
P3 C42 1.835(14) . ?
C2 H2 0.9500 . ?
C2 C3 1.36(2) . ?
C2 C1 1.43(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.45(2) . ?
C4 C5 1.44(2) . ?
C4 C6 1.41(2) . ?
C5 C1 1.421(19) . ?
C5 C9 1.39(2) . ?
C1 H1 0.9500 . ?
C6 H6 0.9500 . ?
C6 C7 1.37(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.38(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.39(2) . ?
C9 H9 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.381(18) . ?
C15 C20 1.431(18) . ?
C16 C17 1.426(18) . ?
C16 C21 1.517(18) . ?
C17 H17 0.9500 . ?
C17 C91 1.36(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.408(18) . ?
C19 C91 1.35(2) . ?
C20 C29 1.489(19) . ?
C21 C22 1.39(2) . ?
C21 C26 1.38(2) . ?
C22 C23 1.40(2) . ?
C22 C27 1.52(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.37(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.37(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.42(2) . ?
C26 C28 1.49(2) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.43(2) . ?
C29 C34 1.40(2) . ?
C30 C31 1.40(2) . ?
C30 C35 1.53(2) . ?
C31 H31 0.9500 . ?
C31 C32 1.38(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.35(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.42(3) . ?
C34 C36 1.48(3) . ?
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 H37 1.0000 . ?
C37 C38 1.54(2) . ?
C37 C41 1.550(19) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.52(2) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.52(3) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.51(2) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42 1.0000 . ?
C42 C43 1.49(2) . ?
C42 C46 1.54(2) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C44 1.52(3) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C45 1.50(4) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.51(3) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C91 H91 0.9500 . ?
Au2 Rh2 2.5852(12) . ?
Au2 P6 2.288(3) . ?
Rh2 P4 2.241(4) . ?
Rh2 P5 2.260(4) . ?
Rh2 C50 2.237(16) . ?
Rh2 C51 2.381(15) . ?
Rh2 C52 2.385(13) . ?
Rh2 C53 2.221(15) . ?
Rh2 C54 2.230(15) . ?
P4 C59 1.794(19) . ?
P4 C60 1.81(2) . ?
P4 C61 1.845(15) . ?
P5 C62 1.824(14) . ?
P5 C63 1.827(15) . ?
P5 C64 1.821(17) . ?
P6 C66 1.873(13) . ?
P6 C88 1.833(15) . ?
P6 C93 1.819(15) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C90 1.49(4) . ?
C18 C92 1.55(3) . ?
C50 H50 0.9500 . ?
C50 C51 1.48(2) . ?
C50 C54 1.36(2) . ?
C51 C52 1.41(2) . ?
C51 C55 1.44(2) . ?
C52 C53 1.44(2) . ?
C52 C58 1.41(2) . ?
C53 H53 0.9500 . ?
C53 C54 1.39(2) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C55 C56 1.36(3) . ?
C56 H56 0.9500 . ?
C56 C57 1.36(3) . ?
C57 H57 0.9500 . ?
C57 C58 1.35(2) . ?
C58 H58 0.9500 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C66 C67 1.394(18) . ?
C66 C71 1.431(19) . ?
C67 C68 1.395(19) . ?
C67 C72 1.524(19) . ?
C68 H68 0.9500 . ?
C68 C69 1.39(2) . ?
C69 H69 0.9500 . ?
C69 C70 1.36(2) . ?
C70 H70 0.9500 . ?
C70 C71 1.374(19) . ?
C71 C80 1.51(2) . ?
C72 C73 1.40(2) . ?
C72 C77 1.40(2) . ?
C73 C74 1.40(2) . ?
C73 C78 1.52(2) . ?
C74 H74 0.9500 . ?
C74 C75 1.40(2) . ?
C75 H75 0.9500 . ?
C75 C76 1.37(2) . ?
C76 H76 0.9500 . ?
C76 C77 1.38(2) . ?
C77 C79 1.50(2) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 C81 1.38(2) . ?
C80 C85 1.44(2) . ?
C81 C82 1.38(3) . ?
C81 C86 1.48(2) . ?
C82 H82 0.9500 . ?
C82 C83 1.37(3) . ?
C83 H83 0.9500 . ?
C83 C84 1.34(3) . ?
C84 H84 0.9500 . ?
C84 C85 1.38(3) . ?
C85 C87 1.51(3) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 H88 1.0000 . ?
C88 C89 1.57(2) . ?
C88 C92 1.54(2) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C89 C90 1.49(3) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 H93 1.0000 . ?
C93 C94 1.56(2) . ?
C93 C97 1.50(2) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C94 C95 1.48(3) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C95 C96 1.50(3) . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C96 C97 1.47(2) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
S1 O1 1.340(18) . ?
S1 O2 1.411(16) . ?
S1 N1 1.607(19) . ?
S1 C48 1.78(3) . ?
S2 O3 1.508(18) . ?
S2 O4 1.379(15) . ?
S2 N1 1.537(19) . ?
S2 C49 1.52(3) . ?
F1 C48 1.27(2) . ?
F2 C48 1.32(3) . ?
F3 C48 1.36(3) . ?
F4 C49 1.54(5) . ?
F5 C49 1.65(5) . ?
F6 C49 1.21(3) . ?
S3 O5 1.434(13) . ?
S3 O6 1.426(15) . ?
S3 N2 1.554(15) . ?
S3 C98 1.78(2) . ?
S4 O7 1.50(2) . ?
S4 O8 1.324(19) . ?
S4 N2 1.576(15) . ?
S4 C99 1.75(2) . ?
F7 C98 1.41(3) . ?
F8 C98 1.32(2) . ?
F9 C98 1.26(2) . ?
F10 C99 1.33(2) . ?
F11 C99 1.27(2) . ?
F12 C99 1.32(2) . ?
C100 H100 0.9500 . ?
C100 C101 1.36(3) . ?
C100 C105 1.37(3) . ?
C101 H101 0.9500 . ?
C101 C102 1.36(3) . ?
C102 H102 0.9500 . ?
C102 C103 1.40(3) . ?
C103 H103 0.9500 . ?
C103 C104 1.38(3) . ?
C104 H104 0.9500 . ?
C104 C105 1.35(3) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C106 C107 1.34(5) . ?
C106 C111 1.42(6) . ?
C107 H107 0.9500 . ?
C107 C108 1.31(5) . ?
C108 H108 0.9500 . ?
C108 C109 1.24(5) . ?
C109 H109 0.9500 . ?
C109 C110 1.34(5) . ?
C110 H110 0.9500 . ?
C110 C111 1.46(6) . ?
C111 H111 0.9500 . ?

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
P3 Au1 Rh1 168.21(10) . . ?
P1 Rh1 Au1 89.02(10) . . ?
P1 Rh1 P2 95.90(15) . . ?
P1 Rh1 C4 123.9(4) . . ?
P1 Rh1 C5 97.4(4) . . ?
P2 Rh1 Au1 92.77(11) . . ?
P2 Rh1 C4 102.6(4) . . ?
P2 Rh1 C5 132.8(3) . . ?
C2 Rh1 Au1 83.6(5) . . ?
C2 Rh1 P1 135.6(5) . . ?
C2 Rh1 P2 128.0(5) . . ?
C2 Rh1 C4 58.8(6) . . ?
C2 Rh1 C5 59.3(6) . . ?
C3 Rh1 Au1 106.3(4) . . ?
C3 Rh1 P1 157.9(4) . . ?
C3 Rh1 P2 99.1(4) . . ?
C3 Rh1 C2 35.5(6) . . ?
C3 Rh1 C4 36.5(5) . . ?
C3 Rh1 C5 60.4(5) . . ?
C3 Rh1 C1 61.8(6) . . ?
C4 Rh1 Au1 141.1(4) . . ?
C4 Rh1 C5 35.2(5) . . ?
C5 Rh1 Au1 132.5(3) . . ?
C1 Rh1 Au1 96.8(4) . . ?
C1 Rh1 P1 101.2(5) . . ?
C1 Rh1 P2 160.5(5) . . ?
C1 Rh1 C2 37.3(6) . . ?
C1 Rh1 C4 59.9(6) . . ?
C1 Rh1 C5 35.7(5) . . ?
C10 P1 Rh1 111.4(5) . . ?
C11 P1 Rh1 114.1(6) . . ?
C11 P1 C10 100.2(7) . . ?
C65 P1 Rh1 124.3(6) . . ?
C65 P1 C10 101.2(9) . . ?
C65 P1 C11 102.4(9) . . ?
C12 P2 Rh1 116.0(6) . . ?
C13 P2 Rh1 115.5(7) . . ?
C13 P2 C12 100.7(9) . . ?
C14 P2 Rh1 120.2(6) . . ?
C14 P2 C12 100.5(10) . . ?
C14 P2 C13 100.8(10) . . ?
C15 P3 Au1 124.5(4) . . ?
C37 P3 Au1 105.9(5) . . ?
C37 P3 C15 100.3(6) . . ?
C42 P3 Au1 109.7(4) . . ?
C42 P3 C15 106.9(6) . . ?
C42 P3 C37 108.4(6) . . ?
Rh1 C2 H2 124.5 . . ?
C3 C2 Rh1 71.2(9) . . ?
C3 C2 H2 125.1 . . ?
C3 C2 C1 109.7(14) . . ?
C1 C2 Rh1 70.7(8) . . ?
C1 C2 H2 125.1 . . ?
Rh1 C3 H3 115.2 . . ?
C2 C3 Rh1 73.3(9) . . ?
C2 C3 H3 126.1 . . ?
C2 C3 C4 107.8(15) . . ?
C4 C3 Rh1 77.6(9) . . ?
C4 C3 H3 126.1 . . ?
C3 C4 Rh1 65.9(8) . . ?
C5 C4 Rh1 72.9(8) . . ?
C5 C4 C3 107.2(13) . . ?
C6 C4 Rh1 125.2(11) . . ?
C6 C4 C3 133.2(16) . . ?
C6 C4 C5 119.6(14) . . ?
C4 C5 Rh1 71.9(8) . . ?
C1 C5 Rh1 66.1(8) . . ?
C1 C5 C4 107.1(13) . . ?
C9 C5 Rh1 126.9(11) . . ?
C9 C5 C4 120.3(12) . . ?
C9 C5 C1 132.6(14) . . ?
Rh1 C1 H1 115.6 . . ?
C2 C1 Rh1 71.9(8) . . ?
C2 C1 H1 126.4 . . ?
C5 C1 Rh1 78.2(8) . . ?
C5 C1 C2 107.1(14) . . ?
C5 C1 H1 126.4 . . ?
C4 C6 H6 120.9 . . ?
C7 C6 C4 118.2(16) . . ?
C7 C6 H6 120.9 . . ?
C6 C7 H7 118.6 . . ?
C6 C7 C8 122.7(16) . . ?
C8 C7 H7 118.6 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.7(16) . . ?
C9 C8 H8 119.7 . . ?
C5 C9 H9 120.8 . . ?
C8 C9 C5 118.5(15) . . ?
C8 C9 H9 120.8 . . ?
P1 C10 H10A 109.5 . . ?
P1 C10 H10B 109.5 . . ?
P1 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
P1 C11 H11A 109.5 . . ?
P1 C11 H11B 109.5 . . ?
P1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P2 C12 H12A 109.5 . . ?
P2 C12 H12B 109.5 . . ?
P2 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P2 C13 H13A 109.5 . . ?
P2 C13 H13B 109.5 . . ?
P2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P2 C14 H14A 109.5 . . ?
P2 C14 H14B 109.5 . . ?
P2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 P3 119.3(10) . . ?
C16 C15 C20 119.5(12) . . ?
C20 C15 P3 120.7(10) . . ?
C15 C16 C17 119.7(12) . . ?
C15 C16 C21 127.5(12) . . ?
C17 C16 C21 112.6(12) . . ?
C16 C17 H17 120.2 . . ?
C91 C17 C16 119.6(13) . . ?
C91 C17 H17 120.2 . . ?
C20 C19 H19 119.3 . . ?
C91 C19 H19 119.3 . . ?
C91 C19 C20 121.3(13) . . ?
C15 C20 C29 127.6(12) . . ?
C19 C20 C15 117.9(13) . . ?
C19 C20 C29 114.2(12) . . ?
C22 C21 C16 119.2(14) . . ?
C26 C21 C16 117.4(13) . . ?
C26 C21 C22 122.8(15) . . ?
C21 C22 C23 119.4(17) . . ?
C21 C22 C27 123.1(14) . . ?
C23 C22 C27 117.6(15) . . ?
C22 C23 H23 121.0 . . ?
C24 C23 C22 117.9(17) . . ?
C24 C23 H23 121.0 . . ?
C23 C24 H24 118.6 . . ?
C25 C24 C23 122.9(17) . . ?
C25 C24 H24 118.6 . . ?
C24 C25 H25 119.9 . . ?
C24 C25 C26 120.2(18) . . ?
C26 C25 H25 119.9 . . ?
C21 C26 C25 116.7(15) . . ?
C21 C26 C28 123.2(14) . . ?
C25 C26 C28 120.0(15) . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C20 119.0(15) . . ?
C34 C29 C20 120.7(16) . . ?
C34 C29 C30 119.9(16) . . ?
C29 C30 C35 121.6(14) . . ?
C31 C30 C29 120(2) . . ?
C31 C30 C35 118.5(19) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 C30 120(2) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 120.1 . . ?
C33 C32 C31 120(2) . . ?
C33 C32 H32 120.1 . . ?
C32 C33 H33 118.4 . . ?
C32 C33 C34 123(2) . . ?
C34 C33 H33 118.4 . . ?
C29 C34 C33 117(2) . . ?
C29 C34 C36 123.8(19) . . ?
C33 C34 C36 119(2) . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
P3 C37 H37 108.9 . . ?
C38 C37 P3 110.7(10) . . ?
C38 C37 H37 108.9 . . ?
C38 C37 C41 102.4(12) . . ?
C41 C37 P3 116.6(10) . . ?
C41 C37 H37 108.9 . . ?
C37 C38 H38A 111.0 . . ?
C37 C38 H38B 111.0 . . ?
H38A C38 H38B 109.0 . . ?
C39 C38 C37 103.7(13) . . ?
C39 C38 H38A 111.0 . . ?
C39 C38 H38B 111.0 . . ?
C38 C39 H39A 110.9 . . ?
C38 C39 H39B 110.9 . . ?
C38 C39 C40 104.1(15) . . ?
H39A C39 H39B 109.0 . . ?
C40 C39 H39A 110.9 . . ?
C40 C39 H39B 110.9 . . ?
C39 C40 H40A 110.5 . . ?
C39 C40 H40B 110.5 . . ?
H40A C40 H40B 108.7 . . ?
C41 C40 C39 106.3(14) . . ?
C41 C40 H40A 110.5 . . ?
C41 C40 H40B 110.5 . . ?
C37 C41 H41A 110.2 . . ?
C37 C41 H41B 110.2 . . ?
C40 C41 C37 107.4(13) . . ?
C40 C41 H41A 110.2 . . ?
C40 C41 H41B 110.2 . . ?
H41A C41 H41B 108.5 . . ?
P3 C42 H42 106.7 . . ?
C43 C42 P3 117.0(12) . . ?
C43 C42 H42 106.7 . . ?
C43 C42 C46 106.1(15) . . ?
C46 C42 P3 113.0(11) . . ?
C46 C42 H42 106.7 . . ?
C42 C43 H43A 110.9 . . ?
C42 C43 H43B 110.9 . . ?
C42 C43 C44 104.5(17) . . ?
H43A C43 H43B 108.9 . . ?
C44 C43 H43A 110.9 . . ?
C44 C43 H43B 110.9 . . ?
C43 C44 H44A 111.5 . . ?
C43 C44 H44B 111.5 . . ?
H44A C44 H44B 109.3 . . ?
C45 C44 C43 101(2) . . ?
C45 C44 H44A 111.5 . . ?
C45 C44 H44B 111.5 . . ?
C44 C45 H45A 110.0 . . ?
C44 C45 H45B 110.0 . . ?
C44 C45 C46 108.5(19) . . ?
H45A C45 H45B 108.4 . . ?
C46 C45 H45A 110.0 . . ?
C46 C45 H45B 110.0 . . ?
C42 C46 H46A 111.0 . . ?
C42 C46 H46B 111.0 . . ?
C45 C46 C42 104(2) . . ?
C45 C46 H46A 111.0 . . ?
C45 C46 H46B 111.0 . . ?
H46A C46 H46B 109.0 . . ?
P1 C65 H65A 109.5 . . ?
P1 C65 H65B 109.5 . . ?
P1 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C17 C91 H91 119.2 . . ?
C19 C91 C17 121.7(13) . . ?
C19 C91 H91 119.2 . . ?
P6 Au2 Rh2 168.47(10) . . ?
P4 Rh2 Au2 88.87(11) . . ?
P4 Rh2 P5 95.20(17) . . ?
P4 Rh2 C51 99.5(5) . . ?
P4 Rh2 C52 126.1(4) . . ?
P5 Rh2 Au2 92.82(10) . . ?
P5 Rh2 C51 132.0(4) . . ?
P5 Rh2 C52 102.8(4) . . ?
C50 Rh2 Au2 95.5(4) . . ?
C50 Rh2 P4 103.4(6) . . ?
C50 Rh2 P5 159.7(6) . . ?
C50 Rh2 C51 37.1(5) . . ?
C50 Rh2 C52 59.5(6) . . ?
C51 Rh2 Au2 132.6(4) . . ?
C51 Rh2 C52 34.5(5) . . ?
C52 Rh2 Au2 139.2(4) . . ?
C53 Rh2 Au2 104.4(4) . . ?
C53 Rh2 P4 159.5(4) . . ?
C53 Rh2 P5 99.6(4) . . ?
C53 Rh2 C50 60.4(7) . . ?
C53 Rh2 C51 60.0(6) . . ?
C53 Rh2 C52 36.3(5) . . ?
C53 Rh2 C54 36.3(6) . . ?
C54 Rh2 Au2 81.3(4) . . ?
C54 Rh2 P4 135.0(5) . . ?
C54 Rh2 P5 128.9(5) . . ?
C54 Rh2 C50 35.4(6) . . ?
C54 Rh2 C51 59.9(6) . . ?
C54 Rh2 C52 59.4(5) . . ?
C59 P4 Rh2 115.3(8) . . ?
C59 P4 C60 102.1(11) . . ?
C59 P4 C61 100.8(9) . . ?
C60 P4 Rh2 122.7(7) . . ?
C60 P4 C61 100.4(8) . . ?
C61 P4 Rh2 112.5(6) . . ?
C62 P5 Rh2 115.5(6) . . ?
C62 P5 C63 101.8(8) . . ?
C63 P5 Rh2 121.0(5) . . ?
C64 P5 Rh2 114.6(5) . . ?
C64 P5 C62 99.4(8) . . ?
C64 P5 C63 101.5(8) . . ?
C66 P6 Au2 122.6(4) . . ?
C88 P6 Au2 108.2(5) . . ?
C88 P6 C66 102.1(6) . . ?
C93 P6 Au2 108.7(5) . . ?
C93 P6 C66 106.5(6) . . ?
C93 P6 C88 107.9(8) . . ?
H18A C18 H18B 108.4 . . ?
C90 C18 H18A 110.1 . . ?
C90 C18 H18B 110.1 . . ?
C90 C18 C92 108.1(18) . . ?
C92 C18 H18A 110.1 . . ?
C92 C18 H18B 110.1 . . ?
Rh2 C50 H50 117.6 . . ?
C51 C50 Rh2 76.7(9) . . ?
C51 C50 H50 125.5 . . ?
C54 C50 Rh2 72.0(9) . . ?
C54 C50 H50 125.5 . . ?
C54 C50 C51 108.9(15) . . ?
C50 C51 Rh2 66.1(8) . . ?
C52 C51 Rh2 72.9(8) . . ?
C52 C51 C50 105.3(14) . . ?
C52 C51 C55 120.0(16) . . ?
C55 C51 Rh2 126.4(12) . . ?
C55 C51 C50 134.6(17) . . ?
C51 C52 Rh2 72.6(8) . . ?
C51 C52 C53 107.6(13) . . ?
C53 C52 Rh2 65.7(8) . . ?
C58 C52 Rh2 126.9(11) . . ?
C58 C52 C51 119.4(14) . . ?
C58 C52 C53 132.9(15) . . ?
Rh2 C53 H53 115.9 . . ?
C52 C53 Rh2 78.0(8) . . ?
C52 C53 H53 125.9 . . ?
C54 C53 Rh2 72.2(9) . . ?
C54 C53 C52 108.2(14) . . ?
C54 C53 H53 125.9 . . ?
Rh2 C54 H54 122.3 . . ?
C50 C54 Rh2 72.6(10) . . ?
C50 C54 C53 109.5(14) . . ?
C50 C54 H54 125.3 . . ?
C53 C54 Rh2 71.5(9) . . ?
C53 C54 H54 125.3 . . ?
C51 C55 H55 122.2 . . ?
C56 C55 C51 115.6(18) . . ?
C56 C55 H55 122.2 . . ?
C55 C56 H56 117.5 . . ?
C57 C56 C55 125.1(17) . . ?
C57 C56 H56 117.5 . . ?
C56 C57 H57 119.8 . . ?
C58 C57 C56 120.5(17) . . ?
C58 C57 H57 119.8 . . ?
C52 C58 H58 120.3 . . ?
C57 C58 C52 119.3(17) . . ?
C57 C58 H58 120.3 . . ?
P4 C59 H59A 109.5 . . ?
P4 C59 H59B 109.5 . . ?
P4 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
P4 C60 H60A 109.5 . . ?
P4 C60 H60B 109.5 . . ?
P4 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
P4 C61 H61A 109.5 . . ?
P4 C61 H61B 109.5 . . ?
P4 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
P5 C62 H62A 109.5 . . ?
P5 C62 H62B 109.5 . . ?
P5 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
P5 C63 H63A 109.5 . . ?
P5 C63 H63B 109.5 . . ?
P5 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
P5 C64 H64A 109.5 . . ?
P5 C64 H64B 109.5 . . ?
P5 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C67 C66 P6 120.1(10) . . ?
C67 C66 C71 118.1(12) . . ?
C71 C66 P6 121.7(10) . . ?
C66 C67 C68 121.1(13) . . ?
C66 C67 C72 128.4(12) . . ?
C68 C67 C72 110.4(13) . . ?
C67 C68 H68 120.2 . . ?
C69 C68 C67 119.6(14) . . ?
C69 C68 H68 120.2 . . ?
C68 C69 H69 120.2 . . ?
C70 C69 C68 119.5(13) . . ?
C70 C69 H69 120.2 . . ?
C69 C70 H70 118.5 . . ?
C69 C70 C71 123.0(15) . . ?
C71 C70 H70 118.5 . . ?
C66 C71 C80 127.8(12) . . ?
C70 C71 C66 118.5(14) . . ?
C70 C71 C80 113.6(13) . . ?
C73 C72 C67 118.3(13) . . ?
C77 C72 C67 119.2(13) . . ?
C77 C72 C73 121.2(14) . . ?
C72 C73 C74 119.2(16) . . ?
C72 C73 C78 123.1(14) . . ?
C74 C73 C78 117.3(14) . . ?
C73 C74 H74 120.5 . . ?
C75 C74 C73 118.9(16) . . ?
C75 C74 H74 120.5 . . ?
C74 C75 H75 119.6 . . ?
C76 C75 C74 120.7(15) . . ?
C76 C75 H75 119.6 . . ?
C75 C76 H76 119.3 . . ?
C75 C76 C77 121.5(16) . . ?
C77 C76 H76 119.3 . . ?
C72 C77 C79 121.4(13) . . ?
C76 C77 C72 118.4(15) . . ?
C76 C77 C79 120.0(14) . . ?
C73 C78 H78A 109.5 . . ?
C73 C78 H78B 109.5 . . ?
C73 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C77 C79 H79A 109.5 . . ?
C77 C79 H79B 109.5 . . ?
C77 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C81 C80 C71 120.9(15) . . ?
C81 C80 C85 119.9(16) . . ?
C85 C80 C71 118.6(15) . . ?
C80 C81 C82 118.4(19) . . ?
C80 C81 C86 122.1(16) . . ?
C82 C81 C86 119.0(18) . . ?
C81 C82 H82 119.0 . . ?
C83 C82 C81 122(2) . . ?
C83 C82 H82 119.0 . . ?
C82 C83 H83 120.0 . . ?
C84 C83 C82 120(2) . . ?
C84 C83 H83 120.0 . . ?
C83 C84 H84 119.3 . . ?
C83 C84 C85 121(2) . . ?
C85 C84 H84 119.3 . . ?
C80 C85 C87 121.7(16) . . ?
C84 C85 C80 118.0(19) . . ?
C84 C85 C87 120.2(19) . . ?
C81 C86 H86A 109.5 . . ?
C81 C86 H86B 109.5 . . ?
C81 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C85 C87 H87A 109.5 . . ?
C85 C87 H87B 109.5 . . ?
C85 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
P6 C88 H88 108.7 . . ?
C89 C88 P6 116.8(11) . . ?
C89 C88 H88 108.7 . . ?
C92 C88 P6 111.2(11) . . ?
C92 C88 H88 108.7 . . ?
C92 C88 C89 102.5(13) . . ?
C88 C89 H89A 111.0 . . ?
C88 C89 H89B 111.0 . . ?
H89A C89 H89B 109.0 . . ?
C90 C89 C88 103.7(16) . . ?
C90 C89 H89A 111.0 . . ?
C90 C89 H89B 111.0 . . ?
C18 C90 H90A 110.2 . . ?
C18 C90 H90B 110.2 . . ?
C89 C90 C18 108(2) . . ?
C89 C90 H90A 110.2 . . ?
C89 C90 H90B 110.2 . . ?
H90A C90 H90B 108.5 . . ?
C18 C92 H92A 111.4 . . ?
C18 C92 H92B 111.4 . . ?
C88 C92 C18 101.7(16) . . ?
C88 C92 H92A 111.4 . . ?
C88 C92 H92B 111.4 . . ?
H92A C92 H92B 109.3 . . ?
P6 C93 H93 108.8 . . ?
C94 C93 P6 115.7(11) . . ?
C94 C93 H93 108.8 . . ?
C97 C93 P6 113.5(12) . . ?
C97 C93 H93 108.8 . . ?
C97 C93 C94 100.7(13) . . ?
C93 C94 H94A 110.7 . . ?
C93 C94 H94B 110.7 . . ?
H94A C94 H94B 108.8 . . ?
C95 C94 C93 105.2(17) . . ?
C95 C94 H94A 110.7 . . ?
C95 C94 H94B 110.7 . . ?
C94 C95 H95A 110.3 . . ?
C94 C95 H95B 110.3 . . ?
C94 C95 C96 107.2(18) . . ?
H95A C95 H95B 108.5 . . ?
C96 C95 H95A 110.3 . . ?
C96 C95 H95B 110.3 . . ?
C95 C96 H96A 110.4 . . ?
C95 C96 H96B 110.4 . . ?
H96A C96 H96B 108.6 . . ?
C97 C96 C95 106.5(18) . . ?
C97 C96 H96A 110.4 . . ?
C97 C96 H96B 110.4 . . ?
C93 C97 H97A 110.4 . . ?
C93 C97 H97B 110.4 . . ?
C96 C97 C93 106.8(17) . . ?
C96 C97 H97A 110.4 . . ?
C96 C97 H97B 110.4 . . ?
H97A C97 H97B 108.6 . . ?
O1 S1 O2 117.5(13) . . ?
O1 S1 N1 115.6(16) . . ?
O1 S1 C48 110.6(18) . . ?
O2 S1 N1 103.4(11) . . ?
O2 S1 C48 102.7(12) . . ?
N1 S1 C48 105.7(13) . . ?
O3 S2 N1 116.6(12) . . ?
O3 S2 C49 88(2) . . ?
O4 S2 O3 117.7(12) . . ?
O4 S2 N1 115.7(13) . . ?
O4 S2 C49 118(2) . . ?
C49 S2 N1 95.5(14) . . ?
S2 N1 S1 123.4(14) . . ?
F1 C48 S1 115(2) . . ?
F1 C48 F2 108(2) . . ?
F1 C48 F3 105(3) . . ?
F2 C48 S1 112(2) . . ?
F2 C48 F3 107(3) . . ?
F3 C48 S1 108.7(19) . . ?
S2 C49 F4 110.7(19) . . ?
S2 C49 F5 106(2) . . ?
F4 C49 F5 82(3) . . ?
F6 C49 S2 141(5) . . ?
F6 C49 F4 103(3) . . ?
F6 C49 F5 98(3) . . ?
O5 S3 N2 108.5(9) . . ?
O5 S3 C98 103.2(11) . . ?
O6 S3 O5 119.0(11) . . ?
O6 S3 N2 118.3(10) . . ?
O6 S3 C98 107.1(11) . . ?
N2 S3 C98 97.2(12) . . ?
O7 S4 N2 106.9(12) . . ?
O7 S4 C99 98.6(13) . . ?
O8 S4 O7 119.9(18) . . ?
O8 S4 N2 119.2(11) . . ?
O8 S4 C99 106.7(14) . . ?
N2 S4 C99 102.0(9) . . ?
S3 N2 S4 126.3(10) . . ?
F7 C98 S3 106.6(19) . . ?
F8 C98 S3 112.3(15) . . ?
F8 C98 F7 103(2) . . ?
F9 C98 S3 114.5(17) . . ?
F9 C98 F7 107(2) . . ?
F9 C98 F8 112(2) . . ?
F10 C99 S4 112.5(16) . . ?
F11 C99 S4 114.8(17) . . ?
F11 C99 F10 104(2) . . ?
F11 C99 F12 106.4(17) . . ?
F12 C99 S4 113.1(15) . . ?
F12 C99 F10 105.5(18) . . ?
C101 C100 H100 118.9 . . ?
C101 C100 C105 122(2) . . ?
C105 C100 H100 118.9 . . ?
C100 C101 H101 120.0 . . ?
C102 C101 C100 120(2) . . ?
C102 C101 H101 120.0 . . ?
C101 C102 H102 120.6 . . ?
C101 C102 C103 119(2) . . ?
C103 C102 H102 120.6 . . ?
C102 C103 H103 120.2 . . ?
C104 C103 C102 120(2) . . ?
C104 C103 H103 120.2 . . ?
C103 C104 H104 119.3 . . ?
C105 C104 C103 121(2) . . ?
C105 C104 H104 119.3 . . ?
C100 C105 H105 121.0 . . ?
C104 C105 C100 118(2) . . ?
C104 C105 H105 121.0 . . ?
C107 C106 H106 121.4 . . ?
C107 C106 C111 117(4) . . ?
C111 C106 H106 121.4 . . ?
C106 C107 H107 118.9 . . ?
C108 C107 C106 122(5) . . ?
C108 C107 H107 118.9 . . ?
C107 C108 H108 118.4 . . ?
C109 C108 C107 123(5) . . ?
C109 C108 H108 118.4 . . ?
C108 C109 H109 118.0 . . ?
C108 C109 C110 124(4) . . ?
C110 C109 H109 118.0 . . ?
C109 C110 H110 122.2 . . ?
C109 C110 C111 116(4) . . ?
C111 C110 H110 122.2 . . ?
C106 C111 C110 117(4) . . ?
C106 C111 H111 121.4 . . ?
C110 C111 H111 121.4 . . ?

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
Au1 P3 C15 C16 2.0(14) . . . . ?
Au1 P3 C15 C20 -169.5(9) . . . . ?
Au1 P3 C37 C38 68.3(10) . . . . ?
Au1 P3 C37 C41 -48.1(12) . . . . ?
Au1 P3 C42 C43 78.4(14) . . . . ?
Au1 P3 C42 C46 -45.2(13) . . . . ?
Rh1 C2 C3 C4 -70.6(11) . . . . ?
Rh1 C2 C1 C5 71.1(10) . . . . ?
Rh1 C3 C4 C5 -61.6(10) . . . . ?
Rh1 C3 C4 C6 116.4(18) . . . . ?
Rh1 C4 C5 C1 -56.9(10) . . . . ?
Rh1 C4 C5 C9 122.8(13) . . . . ?
Rh1 C4 C6 C7 -90.0(18) . . . . ?
Rh1 C5 C1 C2 -66.7(10) . . . . ?
Rh1 C5 C9 C8 88.7(17) . . . . ?
P3 C15 C16 C17 -166.6(12) . . . . ?
P3 C15 C16 C21 19(2) . . . . ?
P3 C15 C20 C19 167.5(11) . . . . ?
P3 C15 C20 C29 -20(2) . . . . ?
P3 C37 C38 C39 -162.2(12) . . . . ?
P3 C37 C41 C40 142.1(13) . . . . ?
P3 C42 C43 C44 -159.7(19) . . . . ?
P3 C42 C46 C45 141.6(13) . . . . ?
C2 C3 C4 Rh1 67.7(11) . . . . ?
C2 C3 C4 C5 6.1(17) . . . . ?
C2 C3 C4 C6 -175.9(16) . . . . ?
C3 C2 C1 Rh1 -60.8(11) . . . . ?
C3 C2 C1 C5 10.3(18) . . . . ?
C3 C4 C5 Rh1 57.1(10) . . . . ?
C3 C4 C5 C1 0.2(16) . . . . ?
C3 C4 C5 C9 179.9(13) . . . . ?
C3 C4 C6 C7 -178.6(16) . . . . ?
C4 C5 C1 Rh1 60.6(10) . . . . ?
C4 C5 C1 C2 -6.2(16) . . . . ?
C4 C5 C9 C8 -1(2) . . . . ?
C4 C6 C7 C8 -1(3) . . . . ?
C5 C4 C6 C7 -1(2) . . . . ?
C1 C2 C3 Rh1 60.5(11) . . . . ?
C1 C2 C3 C4 -10.1(18) . . . . ?
C1 C5 C9 C8 178.7(16) . . . . ?
C6 C4 C5 Rh1 -121.3(14) . . . . ?
C6 C4 C5 C1 -178.1(14) . . . . ?
C6 C4 C5 C9 2(2) . . . . ?
C6 C7 C8 C9 2(3) . . . . ?
C7 C8 C9 C5 -1(3) . . . . ?
C9 C5 C1 Rh1 -119.0(17) . . . . ?
C9 C5 C1 C2 174.3(15) . . . . ?
C15 P3 C37 C38 -62.2(11) . . . . ?
C15 P3 C37 C41 -178.7(11) . . . . ?
C15 P3 C42 C43 -144.1(14) . . . . ?
C15 P3 C42 C46 92.3(13) . . . . ?
C15 C16 C17 C91 -1(2) . . . . ?
C15 C16 C21 C22 -108.7(17) . . . . ?
C15 C16 C21 C26 79.4(19) . . . . ?
C15 C20 C29 C30 -77.7(19) . . . . ?
C15 C20 C29 C34 109.4(17) . . . . ?
C16 C15 C20 C19 -4(2) . . . . ?
C16 C15 C20 C29 168.9(15) . . . . ?
C16 C17 C91 C19 -4(3) . . . . ?
C16 C21 C22 C23 -173.7(13) . . . . ?
C16 C21 C22 C27 5(2) . . . . ?
C16 C21 C26 C25 173.9(13) . . . . ?
C16 C21 C26 C28 -2(2) . . . . ?
C17 C16 C21 C22 76.6(17) . . . . ?
C17 C16 C21 C26 -95.3(16) . . . . ?
C19 C20 C29 C30 95.4(16) . . . . ?
C19 C20 C29 C34 -77.5(18) . . . . ?
C20 C15 C16 C17 5(2) . . . . ?
C20 C15 C16 C21 -169.4(14) . . . . ?
C20 C19 C91 C17 5(3) . . . . ?
C20 C29 C30 C31 -178.4(12) . . . . ?
C20 C29 C30 C35 -5.4(19) . . . . ?
C20 C29 C34 C33 177.6(13) . . . . ?
C20 C29 C34 C36 3(2) . . . . ?
C21 C16 C17 C91 174.2(15) . . . . ?
C21 C22 C23 C24 2(2) . . . . ?
C22 C21 C26 C25 2(2) . . . . ?
C22 C21 C26 C28 -173.8(14) . . . . ?
C22 C23 C24 C25 -2(3) . . . . ?
C23 C24 C25 C26 2(3) . . . . ?
C24 C25 C26 C21 -2(2) . . . . ?
C24 C25 C26 C28 174.1(16) . . . . ?
C26 C21 C22 C23 -2(2) . . . . ?
C26 C21 C22 C27 176.3(14) . . . . ?
C27 C22 C23 C24 -176.9(15) . . . . ?
C29 C30 C31 C32 1(2) . . . . ?
C30 C29 C34 C33 5(2) . . . . ?
C30 C29 C34 C36 -169.5(15) . . . . ?
C30 C31 C32 C33 4(3) . . . . ?
C31 C32 C33 C34 -4(3) . . . . ?
C32 C33 C34 C29 0(3) . . . . ?
C32 C33 C34 C36 174.6(19) . . . . ?
C34 C29 C30 C31 -5(2) . . . . ?
C34 C29 C30 C35 167.5(14) . . . . ?
C35 C30 C31 C32 -172.0(17) . . . . ?
C37 P3 C15 C16 119.6(12) . . . . ?
C37 P3 C15 C20 -51.9(13) . . . . ?
C37 P3 C42 C43 -36.8(15) . . . . ?
C37 P3 C42 C46 -160.4(12) . . . . ?
C37 C38 C39 C40 40(2) . . . . ?
C38 C37 C41 C40 21.2(18) . . . . ?
C38 C39 C40 C41 -26(2) . . . . ?
C39 C40 C41 C37 3(2) . . . . ?
C41 C37 C38 C39 -37.3(16) . . . . ?
C42 P3 C15 C16 -127.4(12) . . . . ?
C42 P3 C15 C20 61.1(13) . . . . ?
C42 P3 C37 C38 -174.0(10) . . . . ?
C42 P3 C37 C41 69.5(12) . . . . ?
C42 C43 C44 C45 40(3) . . . . ?
C43 C42 C46 C45 12(2) . . . . ?
C43 C44 C45 C46 -33(3) . . . . ?
C44 C45 C46 C42 13(2) . . . . ?
C46 C42 C43 C44 -33(3) . . . . ?
C91 C19 C20 C15 -1(2) . . . . ?
C91 C19 C20 C29 -174.9(15) . . . . ?
Au2 P6 C66 C67 0.0(13) . . . . ?
Au2 P6 C66 C71 176.9(9) . . . . ?
Au2 P6 C88 C89 53.5(14) . . . . ?
Au2 P6 C88 C92 -63.7(11) . . . . ?
Au2 P6 C93 C94 -60.6(13) . . . . ?
Au2 P6 C93 C97 55.2(11) . . . . ?
Rh2 C50 C51 C52 -63.0(11) . . . . ?
Rh2 C50 C51 C55 118(2) . . . . ?
Rh2 C50 C54 C53 62.4(11) . . . . ?
Rh2 C51 C52 C53 -56.5(10) . . . . ?
Rh2 C51 C52 C58 123.1(13) . . . . ?
Rh2 C51 C55 C56 -93(2) . . . . ?
Rh2 C52 C53 C54 -66.5(10) . . . . ?
Rh2 C52 C58 C57 92.2(18) . . . . ?
Rh2 C53 C54 C50 -63.1(12) . . . . ?
P6 C66 C67 C68 175.9(11) . . . . ?
P6 C66 C67 C72 -3(2) . . . . ?
P6 C66 C71 C70 -173.8(11) . . . . ?
P6 C66 C71 C80 7(2) . . . . ?
P6 C88 C89 C90 -161(2) . . . . ?
P6 C88 C92 C18 163.4(13) . . . . ?
P6 C93 C94 C95 157.0(16) . . . . ?
P6 C93 C97 C96 -160.2(13) . . . . ?
C50 C51 C52 Rh2 58.5(11) . . . . ?
C50 C51 C52 C53 2.0(17) . . . . ?
C50 C51 C52 C58 -178.4(14) . . . . ?
C50 C51 C55 C56 176.2(18) . . . . ?
C51 C50 C54 Rh2 -68.5(12) . . . . ?
C51 C50 C54 C53 -6.1(19) . . . . ?
C51 C52 C53 Rh2 60.8(11) . . . . ?
C51 C52 C53 C54 -5.7(17) . . . . ?
C51 C52 C58 C57 2(2) . . . . ?
C51 C55 C56 C57 1(3) . . . . ?
C52 C51 C55 C56 -2(2) . . . . ?
C52 C53 C54 Rh2 70.5(10) . . . . ?
C52 C53 C54 C50 7.4(18) . . . . ?
C53 C52 C58 C57 -178.1(16) . . . . ?
C54 C50 C51 Rh2 65.4(11) . . . . ?
C54 C50 C51 C52 2.4(19) . . . . ?
C54 C50 C51 C55 -176.2(19) . . . . ?
C55 C51 C52 Rh2 -122.6(16) . . . . ?
C55 C51 C52 C53 -179.1(15) . . . . ?
C55 C51 C52 C58 0(2) . . . . ?
C55 C56 C57 C58 2(3) . . . . ?
C56 C57 C58 C52 -4(3) . . . . ?
C58 C52 C53 Rh2 -118.7(17) . . . . ?
C58 C52 C53 C54 174.8(16) . . . . ?
C66 P6 C88 C89 -176.0(13) . . . . ?
C66 P6 C88 C92 66.9(11) . . . . ?
C66 P6 C93 C94 165.5(12) . . . . ?
C66 P6 C93 C97 -78.7(12) . . . . ?
C66 C67 C68 C69 -1(2) . . . . ?
C66 C67 C72 C73 99.2(18) . . . . ?
C66 C67 C72 C77 -93.6(18) . . . . ?
C66 C71 C80 C81 -100.3(18) . . . . ?
C66 C71 C80 C85 88.6(18) . . . . ?
C67 C66 C71 C70 3(2) . . . . ?
C67 C66 C71 C80 -175.8(14) . . . . ?
C67 C68 C69 C70 1(2) . . . . ?
C67 C72 C73 C74 165.1(14) . . . . ?
C67 C72 C73 C78 -8(2) . . . . ?
C67 C72 C77 C76 -166.5(13) . . . . ?
C67 C72 C77 C79 8(2) . . . . ?
C68 C67 C72 C73 -79.9(17) . . . . ?
C68 C67 C72 C77 87.3(16) . . . . ?
C68 C69 C70 C71 1(3) . . . . ?
C69 C70 C71 C66 -3(2) . . . . ?
C69 C70 C71 C80 176.0(15) . . . . ?
C70 C71 C80 C81 80.7(17) . . . . ?
C70 C71 C80 C85 -90.4(17) . . . . ?
C71 C66 C67 C68 -1(2) . . . . ?
C71 C66 C67 C72 179.9(13) . . . . ?
C71 C80 C81 C82 -176.1(14) . . . . ?
C71 C80 C81 C86 -4(2) . . . . ?
C71 C80 C85 C84 178.3(14) . . . . ?
C71 C80 C85 C87 3(2) . . . . ?
C72 C67 C68 C69 178.0(14) . . . . ?
C72 C73 C74 C75 2(2) . . . . ?
C73 C72 C77 C76 0(2) . . . . ?
C73 C72 C77 C79 175.2(14) . . . . ?
C73 C74 C75 C76 -1(2) . . . . ?
C74 C75 C76 C77 0(2) . . . . ?
C75 C76 C77 C72 1(2) . . . . ?
C75 C76 C77 C79 -174.2(15) . . . . ?
C77 C72 C73 C74 -2(2) . . . . ?
C77 C72 C73 C78 -174.9(14) . . . . ?
C78 C73 C74 C75 175.7(14) . . . . ?
C80 C81 C82 C83 -1(3) . . . . ?
C81 C80 C85 C84 7(2) . . . . ?
C81 C80 C85 C87 -168.5(14) . . . . ?
C81 C82 C83 C84 5(3) . . . . ?
C82 C83 C84 C85 -3(3) . . . . ?
C83 C84 C85 C80 -3(3) . . . . ?
C83 C84 C85 C87 172.6(18) . . . . ?
C85 C80 C81 C82 -5(2) . . . . ?
C85 C80 C81 C86 166.9(14) . . . . ?
C86 C81 C82 C83 -173.2(17) . . . . ?
C88 P6 C66 C67 -121.1(11) . . . . ?
C88 P6 C66 C71 55.9(12) . . . . ?
C88 P6 C93 C94 56.5(14) . . . . ?
C88 P6 C93 C97 172.3(11) . . . . ?
C88 C89 C90 C18 24(4) . . . . ?
C89 C88 C92 C18 37.8(18) . . . . ?
C90 C18 C92 C88 -24(3) . . . . ?
C92 C18 C90 C89 0(4) . . . . ?
C92 C88 C89 C90 -39(3) . . . . ?
C93 P6 C66 C67 125.8(12) . . . . ?
C93 P6 C66 C71 -57.2(13) . . . . ?
C93 P6 C88 C89 -63.9(14) . . . . ?
C93 P6 C88 C92 178.9(10) . . . . ?
C93 C94 C95 C96 -20(2) . . . . ?
C94 C93 C97 C96 -35.9(18) . . . . ?
C94 C95 C96 C97 -2(3) . . . . ?
C95 C96 C97 C93 25(2) . . . . ?
C97 C93 C94 C95 34.1(19) . . . . ?
O1 S1 N1 S2 -31(2) . . . . ?
O1 S1 C48 F1 -71(3) . . . . ?
O1 S1 C48 F2 52(3) . . . . ?
O1 S1 C48 F3 171.0(19) . . . . ?
O2 S1 N1 S2 -160.3(17) . . . . ?
O2 S1 C48 F1 55(3) . . . . ?
O2 S1 C48 F2 179(2) . . . . ?
O2 S1 C48 F3 -63(2) . . . . ?
O3 S2 N1 S1 -30(2) . . . . ?
O3 S2 C49 F4 90(3) . . . . ?
O3 S2 C49 F5 177(2) . . . . ?
O3 S2 C49 F6 -58(4) . . . . ?
O4 S2 N1 S1 115.1(18) . . . . ?
O4 S2 C49 F4 -31(3) . . . . ?
O4 S2 C49 F5 56(2) . . . . ?
O4 S2 C49 F6 -178(4) . . . . ?
N1 S1 C48 F1 163(2) . . . . ?
N1 S1 C48 F2 -73(3) . . . . ?
N1 S1 C48 F3 45(2) . . . . ?
N1 S2 C49 F4 -153(3) . . . . ?
N1 S2 C49 F5 -66(2) . . . . ?
N1 S2 C49 F6 59(4) . . . . ?
C48 S1 N1 S2 92.1(19) . . . . ?
C49 S2 N1 S1 -121(3) . . . . ?
O5 S3 N2 S4 -158.3(14) . . . . ?
O5 S3 C98 F7 65.1(17) . . . . ?
O5 S3 C98 F8 177.6(18) . . . . ?
O5 S3 C98 F9 -53(2) . . . . ?
O6 S3 N2 S4 -18.7(18) . . . . ?
O6 S3 C98 F7 -61.3(18) . . . . ?
O6 S3 C98 F8 51(2) . . . . ?
O6 S3 C98 F9 -179(2) . . . . ?
O7 S4 N2 S3 -147.9(16) . . . . ?
O7 S4 C99 F10 -177.6(19) . . . . ?
O7 S4 C99 F11 -59(2) . . . . ?
O7 S4 C99 F12 63.0(19) . . . . ?
O8 S4 N2 S3 -8(2) . . . . ?
O8 S4 C99 F10 58(2) . . . . ?
O8 S4 C99 F11 176(2) . . . . ?
O8 S4 C99 F12 -62(2) . . . . ?
N2 S3 C98 F7 176.1(15) . . . . ?
N2 S3 C98 F8 -71(2) . . . . ?
N2 S3 C98 F9 58(2) . . . . ?
N2 S4 C99 F10 -68.1(17) . . . . ?
N2 S4 C99 F11 50(2) . . . . ?
N2 S4 C99 F12 172.5(15) . . . . ?
C98 S3 N2 S4 95.1(15) . . . . ?
C99 S4 N2 S3 109.1(14) . . . . ?
C100 C101 C102 C103 -1(3) . . . . ?
C101 C100 C105 C104 -3(3) . . . . ?
C101 C102 C103 C104 0(3) . . . . ?
C102 C103 C104 C105 0(4) . . . . ?
C103 C104 C105 C100 2(4) . . . . ?
C105 C100 C101 C102 3(3) . . . . ?
C106 C107 C108 C109 0(7) . . . . ?
C107 C106 C111 C110 5(6) . . . . ?
C107 C108 C109 C110 -6(7) . . . . ?
C108 C109 C110 C111 10(6) . . . . ?
C109 C110 C111 C106 -10(5) . . . . ?
C111 C106 C107 C108 0(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.6865(13)
2 0.3090(12)
3 0.0045(6)

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_7dMe
_database_code_depnum_ccdc_archive 'CCDC 2223983'
loop_
_audit_author_name
_audit_author_address
'Macarena Gonzalez Alferez'
;csic
Spain
;
_audit_update_record             
;
2023-02-21 deposited with the CCDC.	2023-02-22 downloaded from the CCDC.
;
_audit_creation_date             2022-11-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C69 H64 Au P3 Rh, C2 F6 N O4 S2, 2(C6 H6)'
_chemical_formula_sum            'C83 H76 Au F6 N O4 P3 Rh S2'
_chemical_formula_weight         1722.35
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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'

_cell_length_a                   22.0242(17)
_cell_length_b                   15.0200(10)
_cell_length_c                   24.1969(18)
_cell_angle_alpha                90
_cell_angle_beta                 110.708(3)
_cell_angle_gamma                90
_cell_volume                     7487.3(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9110
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.25
_shelx_estimated_absorpt_T_max   0.833
_shelx_estimated_absorpt_T_min   0.749
_exptl_absorpt_coefficient_mu    2.364
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4036
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1479 before and 0.0843 after correction.
The Ratio of minimum to maximum transmission is 0.5415.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prysm
_exptl_crystal_F_000             3472
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0723
_diffrn_reflns_av_unetI/netI     0.0464
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            93036
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.421
_diffrn_reflns_theta_min         1.977
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12836
_reflns_number_total             15320
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.270
_refine_diff_density_min         -1.678
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     916
_refine_ls_number_reflns         15320
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0374
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0495P)²+8.0826P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0921
_refine_ls_wR_factor_ref         0.0996
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C72-C73 = C74-C75 = C76-C77
 1.39 with sigma of 0.001
 C73-C74 = C75-C76 = C77-C72
 1.39 with sigma of 0.001
 C83-C79 = C78-C80 = C81-C82
 1.39 with sigma of 0.001
 C79-C78 = C80-C81 = C82-C83
 1.39 with sigma of 0.001
3. Restrained planarity
 C75, C76, C77, C72, C73, C74
 with sigma of 0.1
 C82, C83, C79, C78, C80, C81
 with sigma of 0.1
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C6(H6), C7(H7), C8(H8), C9(H9), C11(H11), C12(H12),
 C13(H13), C14(H14), C15(H15), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21),
  C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C29(H29), C30(H30),
 C31(H31), C32(H32), C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39),
  C41(H41), C42(H42), C43(H43), C44(H44), C45(H45), C48(H48), C49(H49),
 C50(H50), C54(H54), C55(H55), C56(H56), C62(H62), C63(H63), C64(H64), C72(H72),
  C73(H73), C74(H74), C75(H75), C76(H76), C77(H77), C78(H78), C79(H79),
 C82(H82), C83(H83), C80(H80), C81(H81)
4.b Idealised Me refined as rotating group:
 C58(H58A,H58B,H58C), C59(H59A,H59B,H59C), C66(H66A,H66B,H66C), C67(H67A,H67B,
 H67C), C68(H68A,H68B,H68C), C69(H69A,H69B,H69C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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 0.30997(2) 0.23292(2) 0.23925(2) 0.03029(6) Uani 1 1 d . . . . .
Rh1 Rh 0.33892(2) 0.39228(2) 0.28022(2) 0.02740(7) Uani 1 1 d . . . . .
P1 P 0.26199(5) 0.44261(6) 0.19487(4) 0.0309(2) Uani 1 1 d . . . . .
P2 P 0.28582(5) 0.34015(6) 0.34081(4) 0.0290(2) Uani 1 1 d . . . . .
P3 P 0.27949(5) 0.08947(6) 0.21411(4) 0.0305(2) Uani 1 1 d . . . . .
C5 C 0.41718(18) 0.5167(3) 0.30926(17) 0.0340(8) Uani 1 1 d . . . . .
C1 C 0.41595(18) 0.4624(3) 0.25916(17) 0.0349(8) Uani 1 1 d . . . . .
H1 H 0.402662 0.481625 0.219218 0.042 Uiso 1 1 calc R U . . .
C2 C 0.43801(18) 0.3760(3) 0.28020(18) 0.0381(9) Uani 1 1 d . . . . .
H2 H 0.447921 0.329818 0.257946 0.046 Uiso 1 1 calc R U . . .
C3 C 0.44277(19) 0.3702(3) 0.33961(18) 0.0378(9) Uani 1 1 d . . . . .
H3 H 0.449811 0.317381 0.362656 0.045 Uiso 1 1 calc R U . . .
C4 C 0.43499(18) 0.4594(3) 0.35939(16) 0.0345(8) Uani 1 1 d . . . . .
C6 C 0.4427(2) 0.4949(3) 0.41537(18) 0.0417(10) Uani 1 1 d . . . . .
H6 H 0.454930 0.457842 0.449360 0.050 Uiso 1 1 calc R U . . .
C7 C 0.4322(2) 0.5841(3) 0.41968(19) 0.0478(11) Uani 1 1 d . . . . .
H7 H 0.437898 0.608708 0.457370 0.057 Uiso 1 1 calc R U . . .
C8 C 0.4132(2) 0.6400(3) 0.37033(19) 0.0461(10) Uani 1 1 d . . . . .
H8 H 0.405605 0.701352 0.374915 0.055 Uiso 1 1 calc R U . . .
C9 C 0.4054(2) 0.6069(3) 0.31467(18) 0.0403(9) Uani 1 1 d . . . . .
H9 H 0.392367 0.644778 0.281065 0.048 Uiso 1 1 calc R U . . .
C10 C 0.2795(2) 0.4179(3) 0.12760(16) 0.0357(9) Uani 1 1 d . . . . .
C11 C 0.3372(2) 0.3781(3) 0.13021(17) 0.0383(9) Uani 1 1 d . . . . .
H11 H 0.366505 0.357545 0.167113 0.046 Uiso 1 1 calc R U . . .
C12 C 0.3529(2) 0.3678(3) 0.07973(19) 0.0467(10) Uani 1 1 d . . . . .
H12 H 0.392909 0.341163 0.082221 0.056 Uiso 1 1 calc R U . . .
C13 C 0.3096(3) 0.3966(3) 0.0258(2) 0.0546(13) Uani 1 1 d . . . . .
H13 H 0.320302 0.390835 -0.008777 0.065 Uiso 1 1 calc R U . . .
C14 C 0.2512(3) 0.4336(3) 0.02234(19) 0.0549(12) Uani 1 1 d . . . . .
H14 H 0.221418 0.452005 -0.014925 0.066 Uiso 1 1 calc R U . . .
C15 C 0.2354(2) 0.4442(3) 0.07237(17) 0.0444(10) Uani 1 1 d . . . . .
H15 H 0.194774 0.469316 0.069339 0.053 Uiso 1 1 calc R U . . .
C16 C 0.2632(2) 0.5647(3) 0.19518(17) 0.0386(9) Uani 1 1 d . . . . .
C17 C 0.2884(2) 0.6136(3) 0.1593(2) 0.0498(11) Uani 1 1 d . . . . .
H17 H 0.302442 0.583415 0.131502 0.060 Uiso 1 1 calc R U . . .
C18 C 0.2932(3) 0.7059(3) 0.1636(3) 0.0668(15) Uani 1 1 d . . . . .
H18 H 0.310097 0.738324 0.138496 0.080 Uiso 1 1 calc R U . . .
C19 C 0.2738(3) 0.7496(3) 0.2038(3) 0.0702(18) Uani 1 1 d . . . . .
H19 H 0.277033 0.812593 0.206548 0.084 Uiso 1 1 calc R U . . .
C20 C 0.2497(3) 0.7037(3) 0.2401(2) 0.0619(14) Uani 1 1 d . . . . .
H20 H 0.236494 0.734804 0.268162 0.074 Uiso 1 1 calc R U . . .
C21 C 0.2444(2) 0.6110(3) 0.2363(2) 0.0469(11) Uani 1 1 d . . . . .
H21 H 0.227811 0.579419 0.261950 0.056 Uiso 1 1 calc R U . . .
C22 C 0.17627(19) 0.4134(3) 0.16877(16) 0.0351(8) Uani 1 1 d . . . . .
C23 C 0.1268(2) 0.4700(3) 0.17022(18) 0.0425(10) Uani 1 1 d . . . . .
H23 H 0.137040 0.528196 0.186172 0.051 Uiso 1 1 calc R U . . .
C24 C 0.0623(2) 0.4420(3) 0.1484(2) 0.0495(11) Uani 1 1 d . . . . .
H24 H 0.028997 0.481354 0.149542 0.059 Uiso 1 1 calc R U . . .
C25 C 0.0465(2) 0.3579(3) 0.12539(19) 0.0488(11) Uani 1 1 d . . . . .
H25 H 0.002380 0.339375 0.110494 0.059 Uiso 1 1 calc R U . . .
C26 C 0.0948(2) 0.3004(3) 0.12393(19) 0.0468(10) Uani 1 1 d . . . . .
H26 H 0.084026 0.242024 0.108376 0.056 Uiso 1 1 calc R U . . .
C27 C 0.1587(2) 0.3279(3) 0.14514(17) 0.0399(9) Uani 1 1 d . . . . .
H27 H 0.191607 0.287982 0.143705 0.048 Uiso 1 1 calc R U . . .
C28 C 0.21901(19) 0.2603(2) 0.32283(16) 0.0317(8) Uani 1 1 d . . . . .
C29 C 0.2235(2) 0.1798(3) 0.35363(17) 0.0379(9) Uani 1 1 d . . . . .
H29 H 0.263493 0.163316 0.383184 0.046 Uiso 1 1 calc R U . . .
C30 C 0.1705(2) 0.1247(3) 0.34132(19) 0.0429(10) Uani 1 1 d . . . . .
H30 H 0.174102 0.070791 0.362746 0.051 Uiso 1 1 calc R U . . .
C31 C 0.1120(2) 0.1471(3) 0.29802(19) 0.0439(10) Uani 1 1 d . . . . .
H31 H 0.075827 0.108092 0.288913 0.053 Uiso 1 1 calc R U . . .
C32 C 0.1069(2) 0.2274(3) 0.26799(18) 0.0383(9) Uani 1 1 d . . . . .
H32 H 0.066766 0.243997 0.238725 0.046 Uiso 1 1 calc R U . . .
C33 C 0.15972(19) 0.2826(3) 0.28058(17) 0.0361(9) Uani 1 1 d . . . . .
H33 H 0.155523 0.337277 0.259866 0.043 Uiso 1 1 calc R U . . .
C34 C 0.34757(19) 0.2913(3) 0.40635(15) 0.0332(8) Uani 1 1 d . . . . .
C35 C 0.3651(2) 0.3315(3) 0.46135(17) 0.0405(9) Uani 1 1 d . . . . .
H35 H 0.341620 0.381756 0.466817 0.049 Uiso 1 1 calc R U . . .
C36 C 0.4171(2) 0.2984(3) 0.50863(18) 0.0493(11) Uani 1 1 d . . . . .
H36 H 0.429620 0.327208 0.545948 0.059 Uiso 1 1 calc R U . . .
C37 C 0.4504(2) 0.2248(4) 0.5017(2) 0.0535(13) Uani 1 1 d . . . . .
H37 H 0.486090 0.203275 0.534162 0.064 Uiso 1 1 calc R U . . .
C38 C 0.3815(2) 0.2150(3) 0.40016(18) 0.0397(9) Uani 1 1 d . . . . .
H38 H 0.369620 0.186067 0.362902 0.048 Uiso 1 1 calc R U . . .
C39 C 0.4322(2) 0.1814(3) 0.44780(19) 0.0491(11) Uani 1 1 d . . . . .
H39 H 0.454319 0.129042 0.443524 0.059 Uiso 1 1 calc R U . . .
C40 C 0.25245(18) 0.4310(3) 0.37125(16) 0.0331(8) Uani 1 1 d . . . . .
C41 C 0.2753(2) 0.5169(3) 0.37010(17) 0.0370(9) Uani 1 1 d . . . . .
H41 H 0.307716 0.527119 0.353349 0.044 Uiso 1 1 calc R U . . .
C42 C 0.2518(2) 0.5876(3) 0.39280(19) 0.0455(10) Uani 1 1 d . . . . .
H42 H 0.268049 0.645992 0.391918 0.055 Uiso 1 1 calc R U . . .
C43 C 0.2040(2) 0.5729(3) 0.41704(17) 0.0442(10) Uani 1 1 d . . . . .
H43 H 0.186986 0.621409 0.432201 0.053 Uiso 1 1 calc R U . . .
C44 C 0.1815(2) 0.4883(3) 0.41898(17) 0.0426(10) Uani 1 1 d . . . . .
H44 H 0.149037 0.478578 0.435747 0.051 Uiso 1 1 calc R U . . .
C45 C 0.2054(2) 0.4171(3) 0.39692(16) 0.0389(9) Uani 1 1 d . . . . .
H45 H 0.189870 0.358633 0.399154 0.047 Uiso 1 1 calc R U . . .
C46 C 0.31133(18) 0.0260(2) 0.16493(15) 0.0316(8) Uani 1 1 d . . . . .
C47 C 0.37686(19) -0.0012(3) 0.18748(16) 0.0355(8) Uani 1 1 d . . . . .
C48 C 0.4007(2) -0.0564(3) 0.15330(19) 0.0481(11) Uani 1 1 d . . . . .
H48 H 0.444506 -0.076195 0.169024 0.058 Uiso 1 1 calc R U . . .
C49 C 0.3623(2) -0.0826(4) 0.0974(2) 0.0559(13) Uani 1 1 d . . . . .
H49 H 0.378878 -0.121566 0.075227 0.067 Uiso 1 1 calc R U . . .
C50 C 0.2999(2) -0.0520(3) 0.07424(18) 0.0461(11) Uani 1 1 d . . . . .
H50 H 0.273918 -0.068538 0.035126 0.055 Uiso 1 1 calc R U . . .
C51 C 0.27330(19) 0.0030(3) 0.10639(17) 0.0357(9) Uani 1 1 d . . . . .
C52 C 0.42701(19) 0.0320(3) 0.24387(17) 0.0377(9) Uani 1 1 d . . . . .
C53 C 0.45547(19) 0.1148(3) 0.24203(17) 0.0365(9) Uani 1 1 d . . . . .
C54 C 0.5036(2) 0.1462(3) 0.2933(2) 0.0489(11) Uani 1 1 d . . . . .
H54 H 0.522817 0.202767 0.293072 0.059 Uiso 1 1 calc R U . . .
C55 C 0.5234(2) 0.0957(4) 0.34381(19) 0.0556(13) Uani 1 1 d . . . . .
H55 H 0.554941 0.118777 0.378788 0.067 Uiso 1 1 calc R U . . .
C56 C 0.4984(2) 0.0130(4) 0.34439(19) 0.0544(12) Uani 1 1 d . . . . .
H56 H 0.513946 -0.021642 0.379468 0.065 Uiso 1 1 calc R U . . .
C57 C 0.4500(2) -0.0223(3) 0.29417(18) 0.0442(10) Uani 1 1 d . . . . .
C58 C 0.4377(2) 0.1678(3) 0.18571(18) 0.0410(9) Uani 1 1 d . . . . .
H58A H 0.392971 0.189196 0.174678 0.061 Uiso 1 1 calc R U . . .
H58B H 0.441586 0.130032 0.154099 0.061 Uiso 1 1 calc R U . . .
H58C H 0.467150 0.218831 0.191689 0.061 Uiso 1 1 calc R U . . .
C59 C 0.4270(2) -0.1161(3) 0.2956(2) 0.0559(12) Uani 1 1 d . . . . .
H59A H 0.464139 -0.154230 0.316408 0.084 Uiso 1 1 calc R U . . .
H59B H 0.405932 -0.137769 0.255086 0.084 Uiso 1 1 calc R U . . .
H59C H 0.395871 -0.117419 0.316200 0.084 Uiso 1 1 calc R U . . .
C60 C 0.20649(18) 0.0381(3) 0.07291(15) 0.0330(8) Uani 1 1 d . . . . .
C61 C 0.2001(2) 0.1262(3) 0.05240(17) 0.0361(9) Uani 1 1 d . . . . .
C62 C 0.1386(2) 0.1585(3) 0.01989(18) 0.0433(10) Uani 1 1 d . . . . .
H62 H 0.133636 0.218608 0.006783 0.052 Uiso 1 1 calc R U . . .
C63 C 0.0846(2) 0.1042(3) 0.00645(19) 0.0483(11) Uani 1 1 d . . . . .
H63 H 0.042639 0.127115 -0.014975 0.058 Uiso 1 1 calc R U . . .
C64 C 0.0922(2) 0.0167(3) 0.02438(19) 0.0450(10) Uani 1 1 d . . . . .
H64 H 0.055152 -0.020888 0.013778 0.054 Uiso 1 1 calc R U . . .
C65 C 0.15252(19) -0.0181(3) 0.05757(17) 0.0367(9) Uani 1 1 d . . . . .
C66 C 0.2580(2) 0.1857(3) 0.0638(2) 0.0483(11) Uani 1 1 d . . . . .
H66A H 0.274337 0.203636 0.105426 0.072 Uiso 1 1 calc R U . . .
H66B H 0.245329 0.238672 0.038720 0.072 Uiso 1 1 calc R U . . .
H66C H 0.292021 0.153535 0.054723 0.072 Uiso 1 1 calc R U . . .
C67 C 0.1574(2) -0.1148(3) 0.0763(2) 0.0540(12) Uani 1 1 d . . . . .
H67A H 0.180852 -0.148290 0.055367 0.081 Uiso 1 1 calc R U . . .
H67B H 0.113767 -0.139587 0.066680 0.081 Uiso 1 1 calc R U . . .
H67C H 0.180925 -0.119012 0.118982 0.081 Uiso 1 1 calc R U . . .
C68 C 0.19164(19) 0.0817(3) 0.18719(18) 0.0408(9) Uani 1 1 d . . . . .
H68A H 0.175471 0.103852 0.217516 0.061 Uiso 1 1 calc R U . . .
H68B H 0.178566 0.019472 0.178216 0.061 Uiso 1 1 calc R U . . .
H68C H 0.173430 0.117691 0.151305 0.061 Uiso 1 1 calc R U . . .
C69 C 0.2976(2) 0.0215(3) 0.28031(17) 0.0408(9) Uani 1 1 d . . . . .
H69A H 0.344126 0.024558 0.303331 0.061 Uiso 1 1 calc R U . . .
H69B H 0.285251 -0.040379 0.268996 0.061 Uiso 1 1 calc R U . . .
H69C H 0.273013 0.043821 0.304222 0.061 Uiso 1 1 calc R U . . .
S1 S 0.16557(7) -0.15330(8) 0.40254(6) 0.0587(3) Uani 1 1 d . . . . .
F1 F 0.1518(2) -0.0977(3) 0.29724(17) 0.1060(13) Uani 1 1 d . . . . .
F2 F 0.0640(2) -0.1359(5) 0.3099(2) 0.154(2) Uani 1 1 d . . . . .
F3 F 0.1278(3) -0.2343(4) 0.3011(2) 0.136(2) Uani 1 1 d . . . . .
O1 O 0.1574(2) -0.0660(2) 0.4192(2) 0.0805(12) Uani 1 1 d . . . . .
O2 O 0.1339(2) -0.2231(3) 0.4240(2) 0.0873(13) Uani 1 1 d . . . . .
N1 N 0.2347(2) -0.1854(3) 0.4100(2) 0.0763(14) Uani 1 1 d . . . . .
C70 C 0.1250(3) -0.1536(6) 0.3235(3) 0.087(2) Uani 1 1 d . . . . .
S2 S 0.29458(6) -0.12520(8) 0.41161(5) 0.0500(3) Uani 1 1 d . . . . .
F4 F 0.4032(2) -0.1020(4) 0.4965(2) 0.1297(18) Uani 1 1 d . . . . .
F5 F 0.3251(2) -0.1282(3) 0.52626(14) 0.0962(12) Uani 1 1 d . . . . .
F6 F 0.3671(2) -0.2335(3) 0.49263(19) 0.1114(16) Uani 1 1 d . . . . .
O3 O 0.3244(2) -0.1646(3) 0.37516(17) 0.0858(13) Uani 1 1 d . . . . .
O4 O 0.28483(19) -0.0320(2) 0.40996(15) 0.0636(9) Uani 1 1 d . . . . .
C71 C 0.3475(3) -0.1526(4) 0.4854(2) 0.0694(16) Uani 1 1 d . . . . .
C72 C 0.0536(3) 0.5678(4) 0.3015(2) 0.0815(19) Uani 1 1 d D . . . .
H72 H 0.077403 0.598727 0.281572 0.098 Uiso 1 1 calc R U . . .
C73 C 0.0404(3) 0.4775(4) 0.2917(3) 0.0827(19) Uani 1 1 d D . . . .
H73 H 0.055639 0.446667 0.264854 0.099 Uiso 1 1 calc R U . . .
C74 C 0.0054(3) 0.4315(4) 0.3203(3) 0.096(2) Uani 1 1 d D . . . .
H74 H -0.001954 0.369426 0.313754 0.115 Uiso 1 1 calc R U . . .
C75 C -0.0190(3) 0.4758(4) 0.3583(3) 0.096(2) Uani 1 1 d D . . . .
H75 H -0.044394 0.445401 0.376990 0.115 Uiso 1 1 calc R U . . .
C76 C -0.0052(3) 0.5659(4) 0.3683(3) 0.086(2) Uani 1 1 d D . . . .
H76 H -0.021156 0.596961 0.394529 0.103 Uiso 1 1 calc R U . . .
C77 C 0.0312(3) 0.6119(4) 0.3410(2) 0.086(2) Uani 1 1 d D . . . .
H77 H 0.040668 0.673211 0.349320 0.103 Uiso 1 1 calc R U . . .
C78 C 0.0898(4) -0.3281(4) 0.0866(3) 0.095(2) Uani 1 1 d D . . . .
H78 H 0.133715 -0.319531 0.089900 0.114 Uiso 1 1 calc R U . . .
C79 C 0.0684(3) -0.2993(4) 0.1311(3) 0.096(2) Uani 1 1 d D . . . .
H79 H 0.097638 -0.270735 0.165092 0.115 Uiso 1 1 calc R U . . .
C82 C -0.0391(4) -0.3547(5) 0.0765(3) 0.108(3) Uani 1 1 d D . . . .
H82 H -0.082727 -0.364321 0.073563 0.130 Uiso 1 1 calc R U . . .
C83 C 0.0041(3) -0.3123(4) 0.1258(3) 0.100(2) Uani 1 1 d D . . . .
H83 H -0.010429 -0.292065 0.156245 0.121 Uiso 1 1 calc R U . . .
C80 C 0.0462(4) -0.3696(5) 0.0371(3) 0.115(3) Uani 1 1 d D . . . .
H80 H 0.060618 -0.389185 0.006460 0.138 Uiso 1 1 calc R U . . .
C81 C -0.0181(4) -0.3829(5) 0.0316(3) 0.114(3) Uani 1 1 d D . . . .
H81 H -0.047488 -0.410977 -0.002613 0.137 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Rh1 2.5828(3) . ?
Au1 P3 2.2748(10) . ?
Rh1 P1 2.2876(10) . ?
Rh1 P2 2.3114(10) . ?
Rh1 C5 2.470(4) . ?
Rh1 C1 2.205(4) . ?
Rh1 C2 2.196(4) . ?
Rh1 C3 2.254(4) . ?
Rh1 C4 2.509(4) . ?
P1 C10 1.838(4) . ?
P1 C16 1.834(4) . ?
P1 C22 1.820(4) . ?
P2 C28 1.828(4) . ?
P2 C34 1.838(4) . ?
P2 C40 1.824(4) . ?
P3 C46 1.845(4) . ?
P3 C68 1.814(4) . ?
P3 C69 1.821(4) . ?
C5 C1 1.453(5) . ?
C5 C4 1.425(5) . ?
C5 C9 1.394(6) . ?
C1 H1 0.9500 . ?
C1 C2 1.416(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.407(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.453(6) . ?
C4 C6 1.409(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.370(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.397(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.388(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.385(6) . ?
C10 C15 1.402(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.391(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.385(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.376(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.382(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.393(6) . ?
C16 C21 1.392(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.391(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.363(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.364(9) . ?
C20 H20 0.9500 . ?
C20 C21 1.397(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.393(6) . ?
C22 C27 1.403(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.393(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.376(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.380(7) . ?
C26 H26 0.9500 . ?
C26 C27 1.381(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.405(5) . ?
C28 C33 1.385(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.374(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.384(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.392(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.372(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.386(5) . ?
C34 C38 1.406(6) . ?
C35 H35 0.9500 . ?
C35 C36 1.393(6) . ?
C36 H36 0.9500 . ?
C36 C37 1.369(7) . ?
C37 H37 0.9500 . ?
C37 C39 1.385(7) . ?
C38 H38 0.9500 . ?
C38 C39 1.385(6) . ?
C39 H39 0.9500 . ?
C40 C41 1.389(5) . ?
C40 C45 1.400(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.379(6) . ?
C42 H42 0.9500 . ?
C42 C43 1.391(6) . ?
C43 H43 0.9500 . ?
C43 C44 1.371(6) . ?
C44 H44 0.9500 . ?
C44 C45 1.380(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.411(5) . ?
C46 C51 1.410(5) . ?
C47 C48 1.398(6) . ?
C47 C52 1.505(5) . ?
C48 H48 0.9500 . ?
C48 C49 1.375(6) . ?
C49 H49 0.9500 . ?
C49 C50 1.367(6) . ?
C50 H50 0.9500 . ?
C50 C51 1.398(5) . ?
C51 C60 1.502(5) . ?
C52 C53 1.401(6) . ?
C52 C57 1.403(6) . ?
C53 C54 1.398(6) . ?
C53 C58 1.506(6) . ?
C54 H54 0.9500 . ?
C54 C55 1.372(7) . ?
C55 H55 0.9500 . ?
C55 C56 1.362(7) . ?
C56 H56 0.9500 . ?
C56 C57 1.407(6) . ?
C57 C59 1.501(7) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 C61 1.403(5) . ?
C60 C65 1.397(5) . ?
C61 C62 1.392(6) . ?
C61 C66 1.499(6) . ?
C62 H62 0.9500 . ?
C62 C63 1.383(6) . ?
C63 H63 0.9500 . ?
C63 C64 1.375(6) . ?
C64 H64 0.9500 . ?
C64 C65 1.389(6) . ?
C65 C67 1.513(6) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
S1 O1 1.402(4) . ?
S1 O2 1.454(4) . ?
S1 N1 1.545(5) . ?
S1 C70 1.803(7) . ?
F1 C70 1.312(8) . ?
F2 C70 1.293(8) . ?
F3 C70 1.337(9) . ?
N1 S2 1.588(5) . ?
S2 O3 1.403(4) . ?
S2 O4 1.415(4) . ?
S2 C71 1.801(5) . ?
F4 C71 1.386(8) . ?
F5 C71 1.304(7) . ?
F6 C71 1.280(7) . ?
C72 H72 0.9500 . ?
C72 C73 1.3891(10) . ?
C72 C77 1.3895(10) . ?
C73 H73 0.9500 . ?
C73 C74 1.3891(10) . ?
C74 H74 0.9500 . ?
C74 C75 1.3890(10) . ?
C75 H75 0.9500 . ?
C75 C76 1.3889(10) . ?
C76 H76 0.9500 . ?
C76 C77 1.3891(10) . ?
C77 H77 0.9500 . ?
C78 H78 0.9500 . ?
C78 C79 1.3893(10) . ?
C78 C80 1.3896(10) . ?
C79 H79 0.9500 . ?
C79 C83 1.3892(10) . ?
C82 H82 0.9500 . ?
C82 C83 1.3893(10) . ?
C82 C81 1.3895(10) . ?
C83 H83 0.9500 . ?
C80 H80 0.9500 . ?
C80 C81 1.3895(10) . ?
C81 H81 0.9500 . ?

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
P3 Au1 Rh1 171.83(3) . . ?
P1 Rh1 Au1 87.49(3) . . ?
P1 Rh1 P2 107.77(4) . . ?
P1 Rh1 C5 103.08(9) . . ?
P1 Rh1 C4 135.39(9) . . ?
P2 Rh1 Au1 79.51(2) . . ?
P2 Rh1 C5 122.31(9) . . ?
P2 Rh1 C4 97.53(9) . . ?
C5 Rh1 Au1 149.67(9) . . ?
C5 Rh1 C4 33.25(12) . . ?
C1 Rh1 Au1 117.39(10) . . ?
C1 Rh1 P1 91.04(11) . . ?
C1 Rh1 P2 155.77(10) . . ?
C1 Rh1 C5 35.65(13) . . ?
C1 Rh1 C3 61.81(14) . . ?
C1 Rh1 C4 58.29(13) . . ?
C2 Rh1 Au1 90.42(11) . . ?
C2 Rh1 P1 117.08(11) . . ?
C2 Rh1 P2 133.49(11) . . ?
C2 Rh1 C5 59.38(14) . . ?
C2 Rh1 C1 37.54(15) . . ?
C2 Rh1 C3 36.82(14) . . ?
C2 Rh1 C4 58.33(14) . . ?
C3 Rh1 Au1 99.51(11) . . ?
C3 Rh1 P1 152.22(11) . . ?
C3 Rh1 P2 99.94(11) . . ?
C3 Rh1 C5 58.77(14) . . ?
C3 Rh1 C4 35.01(14) . . ?
C4 Rh1 Au1 133.81(9) . . ?
C10 P1 Rh1 114.37(14) . . ?
C16 P1 Rh1 108.77(13) . . ?
C16 P1 C10 101.42(18) . . ?
C22 P1 Rh1 125.43(12) . . ?
C22 P1 C10 99.24(18) . . ?
C22 P1 C16 104.73(19) . . ?
C28 P2 Rh1 128.06(12) . . ?
C28 P2 C34 103.37(17) . . ?
C34 P2 Rh1 107.25(13) . . ?
C40 P2 Rh1 111.66(13) . . ?
C40 P2 C28 100.48(18) . . ?
C40 P2 C34 103.36(17) . . ?
C46 P3 Au1 121.19(13) . . ?
C68 P3 Au1 109.47(14) . . ?
C68 P3 C46 109.62(18) . . ?
C68 P3 C69 98.8(2) . . ?
C69 P3 Au1 110.10(14) . . ?
C69 P3 C46 105.26(18) . . ?
C1 C5 Rh1 62.2(2) . . ?
C4 C5 Rh1 74.9(2) . . ?
C4 C5 C1 106.8(3) . . ?
C9 C5 Rh1 128.9(3) . . ?
C9 C5 C1 132.4(4) . . ?
C9 C5 C4 120.8(4) . . ?
Rh1 C1 H1 113.2 . . ?
C5 C1 Rh1 82.2(2) . . ?
C5 C1 H1 125.9 . . ?
C2 C1 Rh1 70.9(2) . . ?
C2 C1 C5 108.1(3) . . ?
C2 C1 H1 125.9 . . ?
Rh1 C2 H2 120.6 . . ?
C1 C2 Rh1 71.6(2) . . ?
C1 C2 H2 125.8 . . ?
C3 C2 Rh1 73.8(2) . . ?
C3 C2 C1 108.5(4) . . ?
C3 C2 H2 125.8 . . ?
Rh1 C3 H3 114.5 . . ?
C2 C3 Rh1 69.3(2) . . ?
C2 C3 H3 126.2 . . ?
C2 C3 C4 107.7(4) . . ?
C4 C3 Rh1 82.1(2) . . ?
C4 C3 H3 126.2 . . ?
C5 C4 Rh1 71.9(2) . . ?
C5 C4 C3 107.8(3) . . ?
C3 C4 Rh1 62.9(2) . . ?
C6 C4 Rh1 131.9(3) . . ?
C6 C4 C5 119.5(4) . . ?
C6 C4 C3 132.7(4) . . ?
C4 C6 H6 120.7 . . ?
C7 C6 C4 118.5(4) . . ?
C7 C6 H6 120.7 . . ?
C6 C7 H7 119.0 . . ?
C6 C7 C8 122.0(4) . . ?
C8 C7 H7 119.0 . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.7(4) . . ?
C9 C8 H8 119.6 . . ?
C5 C9 H9 120.8 . . ?
C8 C9 C5 118.4(4) . . ?
C8 C9 H9 120.8 . . ?
C11 C10 P1 121.5(3) . . ?
C11 C10 C15 118.6(4) . . ?
C15 C10 P1 119.7(3) . . ?
C10 C11 H11 119.4 . . ?
C10 C11 C12 121.2(4) . . ?
C12 C11 H11 119.4 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.4(5) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.0(4) . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 119.6 . . ?
C13 C14 C15 120.9(4) . . ?
C15 C14 H14 119.6 . . ?
C10 C15 H15 120.1 . . ?
C14 C15 C10 119.9(4) . . ?
C14 C15 H15 120.1 . . ?
C17 C16 P1 122.2(3) . . ?
C21 C16 P1 119.7(3) . . ?
C21 C16 C17 117.8(4) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 C16 121.1(5) . . ?
C18 C17 H17 119.4 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.8(6) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.6(5) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.2(5) . . ?
C21 C20 H20 119.9 . . ?
C16 C21 C20 120.4(5) . . ?
C16 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C23 C22 P1 124.7(3) . . ?
C23 C22 C27 117.6(4) . . ?
C27 C22 P1 117.7(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.5(4) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 119.7 . . ?
C25 C24 C23 120.6(4) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.9(4) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.8(4) . . ?
C27 C26 H26 120.1 . . ?
C22 C27 H27 119.2 . . ?
C26 C27 C22 121.5(4) . . ?
C26 C27 H27 119.2 . . ?
C29 C28 P2 122.6(3) . . ?
C33 C28 P2 119.1(3) . . ?
C33 C28 C29 118.1(4) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.5(4) . . ?
C30 C29 H29 119.8 . . ?
C29 C30 H30 119.7 . . ?
C29 C30 C31 120.7(4) . . ?
C31 C30 H30 119.7 . . ?
C30 C31 H31 120.4 . . ?
C30 C31 C32 119.1(4) . . ?
C32 C31 H31 120.4 . . ?
C31 C32 H32 119.9 . . ?
C33 C32 C31 120.1(4) . . ?
C33 C32 H32 119.9 . . ?
C28 C33 H33 119.3 . . ?
C32 C33 C28 121.5(4) . . ?
C32 C33 H33 119.3 . . ?
C35 C34 P2 121.6(3) . . ?
C35 C34 C38 118.7(4) . . ?
C38 C34 P2 119.5(3) . . ?
C34 C35 H35 119.9 . . ?
C34 C35 C36 120.1(4) . . ?
C36 C35 H35 119.9 . . ?
C35 C36 H36 119.7 . . ?
C37 C36 C35 120.6(4) . . ?
C37 C36 H36 119.7 . . ?
C36 C37 H37 119.8 . . ?
C36 C37 C39 120.4(4) . . ?
C39 C37 H37 119.8 . . ?
C34 C38 H38 119.7 . . ?
C39 C38 C34 120.7(4) . . ?
C39 C38 H38 119.7 . . ?
C37 C39 H39 120.2 . . ?
C38 C39 C37 119.5(4) . . ?
C38 C39 H39 120.2 . . ?
C41 C40 P2 119.1(3) . . ?
C41 C40 C45 118.6(4) . . ?
C45 C40 P2 122.3(3) . . ?
C40 C41 H41 119.4 . . ?
C42 C41 C40 121.2(4) . . ?
C42 C41 H41 119.4 . . ?
C41 C42 H42 120.3 . . ?
C41 C42 C43 119.5(4) . . ?
C43 C42 H42 120.3 . . ?
C42 C43 H43 120.1 . . ?
C44 C43 C42 119.9(4) . . ?
C44 C43 H43 120.1 . . ?
C43 C44 H44 119.5 . . ?
C43 C44 C45 120.9(4) . . ?
C45 C44 H44 119.5 . . ?
C40 C45 H45 120.1 . . ?
C44 C45 C40 119.9(4) . . ?
C44 C45 H45 120.1 . . ?
C47 C46 P3 118.1(3) . . ?
C51 C46 P3 123.2(3) . . ?
C51 C46 C47 118.7(3) . . ?
C46 C47 C52 125.2(3) . . ?
C48 C47 C46 119.4(3) . . ?
C48 C47 C52 115.1(3) . . ?
C47 C48 H48 119.3 . . ?
C49 C48 C47 121.4(4) . . ?
C49 C48 H48 119.3 . . ?
C48 C49 H49 120.4 . . ?
C50 C49 C48 119.2(4) . . ?
C50 C49 H49 120.4 . . ?
C49 C50 H50 119.0 . . ?
C49 C50 C51 121.9(4) . . ?
C51 C50 H50 119.0 . . ?
C46 C51 C60 125.2(3) . . ?
C50 C51 C46 119.1(4) . . ?
C50 C51 C60 115.5(3) . . ?
C53 C52 C47 117.3(4) . . ?
C53 C52 C57 121.1(4) . . ?
C57 C52 C47 121.2(4) . . ?
C52 C53 C58 121.5(3) . . ?
C54 C53 C52 118.6(4) . . ?
C54 C53 C58 119.8(4) . . ?
C53 C54 H54 119.8 . . ?
C55 C54 C53 120.4(5) . . ?
C55 C54 H54 119.8 . . ?
C54 C55 H55 119.6 . . ?
C56 C55 C54 120.7(4) . . ?
C56 C55 H55 119.6 . . ?
C55 C56 H56 119.3 . . ?
C55 C56 C57 121.4(4) . . ?
C57 C56 H56 119.3 . . ?
C52 C57 C56 117.5(4) . . ?
C52 C57 C59 123.0(4) . . ?
C56 C57 C59 119.5(4) . . ?
C53 C58 H58A 109.5 . . ?
C53 C58 H58B 109.5 . . ?
C53 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C61 C60 C51 118.6(3) . . ?
C65 C60 C51 120.7(3) . . ?
C65 C60 C61 120.4(4) . . ?
C60 C61 C66 121.6(4) . . ?
C62 C61 C60 119.0(4) . . ?
C62 C61 C66 119.4(4) . . ?
C61 C62 H62 119.6 . . ?
C63 C62 C61 120.8(4) . . ?
C63 C62 H62 119.6 . . ?
C62 C63 H63 120.3 . . ?
C64 C63 C62 119.4(4) . . ?
C64 C63 H63 120.3 . . ?
C63 C64 H64 119.1 . . ?
C63 C64 C65 121.8(4) . . ?
C65 C64 H64 119.1 . . ?
C60 C65 C67 122.4(4) . . ?
C64 C65 C60 118.4(4) . . ?
C64 C65 C67 119.2(4) . . ?
C61 C66 H66A 109.5 . . ?
C61 C66 H66B 109.5 . . ?
C61 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
P3 C68 H68A 109.5 . . ?
P3 C68 H68B 109.5 . . ?
P3 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
P3 C69 H69A 109.5 . . ?
P3 C69 H69B 109.5 . . ?
P3 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
O1 S1 O2 116.4(3) . . ?
O1 S1 N1 118.7(3) . . ?
O1 S1 C70 104.0(3) . . ?
O2 S1 N1 108.2(3) . . ?
O2 S1 C70 104.9(3) . . ?
N1 S1 C70 102.7(3) . . ?
S1 N1 S2 127.0(3) . . ?
F1 C70 S1 111.9(5) . . ?
F1 C70 F3 106.9(6) . . ?
F2 C70 S1 110.4(5) . . ?
F2 C70 F1 110.5(7) . . ?
F2 C70 F3 106.0(7) . . ?
F3 C70 S1 110.8(6) . . ?
N1 S2 C71 97.8(3) . . ?
O3 S2 N1 108.2(3) . . ?
O3 S2 O4 120.0(3) . . ?
O3 S2 C71 104.1(3) . . ?
O4 S2 N1 116.5(2) . . ?
O4 S2 C71 107.0(3) . . ?
F4 C71 S2 106.6(4) . . ?
F5 C71 S2 113.7(4) . . ?
F5 C71 F4 104.2(5) . . ?
F6 C71 S2 114.9(5) . . ?
F6 C71 F4 105.2(5) . . ?
F6 C71 F5 111.2(5) . . ?
C73 C72 H72 120.7 . . ?
C73 C72 C77 118.7(5) . . ?
C77 C72 H72 120.7 . . ?
C72 C73 H73 119.3 . . ?
C74 C73 C72 121.3(6) . . ?
C74 C73 H73 119.3 . . ?
C73 C74 H74 119.8 . . ?
C73 C74 C75 120.4(6) . . ?
C75 C74 H74 119.8 . . ?
C74 C75 H75 121.0 . . ?
C76 C75 C74 118.0(6) . . ?
C76 C75 H75 121.0 . . ?
C75 C76 H76 119.0 . . ?
C75 C76 C77 122.0(6) . . ?
C77 C76 H76 119.0 . . ?
C72 C77 H77 120.2 . . ?
C76 C77 C72 119.6(6) . . ?
C76 C77 H77 120.2 . . ?
C79 C78 H78 120.4 . . ?
C79 C78 C80 119.1(7) . . ?
C80 C78 H78 120.4 . . ?
C78 C79 H79 120.0 . . ?
C83 C79 C78 120.0(7) . . ?
C83 C79 H79 120.0 . . ?
C83 C82 H82 120.1 . . ?
C83 C82 C81 119.8(7) . . ?
C81 C82 H82 120.1 . . ?
C79 C83 C82 120.5(7) . . ?
C79 C83 H83 119.7 . . ?
C82 C83 H83 119.7 . . ?
C78 C80 H80 119.4 . . ?
C81 C80 C78 121.2(7) . . ?
C81 C80 H80 119.4 . . ?
C82 C81 H81 120.3 . . ?
C80 C81 C82 119.4(7) . . ?
C80 C81 H81 120.3 . . ?

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
Au1 P3 C46 C47 71.7(3) . . . . ?
Au1 P3 C46 C51 -108.9(3) . . . . ?
Rh1 P1 C10 C11 -4.6(4) . . . . ?
Rh1 P1 C10 C15 179.0(3) . . . . ?
Rh1 P1 C16 C17 107.0(3) . . . . ?
Rh1 P1 C16 C21 -66.6(4) . . . . ?
Rh1 P1 C22 C23 106.1(3) . . . . ?
Rh1 P1 C22 C27 -74.3(3) . . . . ?
Rh1 P2 C28 C29 120.7(3) . . . . ?
Rh1 P2 C28 C33 -64.7(4) . . . . ?
Rh1 P2 C34 C35 109.7(3) . . . . ?
Rh1 P2 C34 C38 -65.5(3) . . . . ?
Rh1 P2 C40 C41 -17.3(3) . . . . ?
Rh1 P2 C40 C45 164.0(3) . . . . ?
Rh1 C5 C1 C2 -66.9(3) . . . . ?
Rh1 C5 C4 C3 52.5(3) . . . . ?
Rh1 C5 C4 C6 -128.5(4) . . . . ?
Rh1 C5 C9 C8 97.0(4) . . . . ?
Rh1 C1 C2 C3 -65.1(3) . . . . ?
Rh1 C2 C3 C4 -74.1(3) . . . . ?
Rh1 C3 C4 C5 -57.9(3) . . . . ?
Rh1 C3 C4 C6 123.3(4) . . . . ?
Rh1 C4 C6 C7 -91.0(5) . . . . ?
P1 C10 C11 C12 -173.5(3) . . . . ?
P1 C10 C15 C14 173.7(3) . . . . ?
P1 C16 C17 C18 -175.1(4) . . . . ?
P1 C16 C21 C20 175.1(3) . . . . ?
P1 C22 C23 C24 179.1(3) . . . . ?
P1 C22 C27 C26 -179.5(3) . . . . ?
P2 C28 C29 C30 175.4(3) . . . . ?
P2 C28 C33 C32 -176.0(3) . . . . ?
P2 C34 C35 C36 -172.7(3) . . . . ?
P2 C34 C38 C39 174.3(3) . . . . ?
P2 C40 C41 C42 -179.7(3) . . . . ?
P2 C40 C45 C44 -179.6(3) . . . . ?
P3 C46 C47 C48 174.0(3) . . . . ?
P3 C46 C47 C52 -12.9(5) . . . . ?
P3 C46 C51 C50 -174.3(3) . . . . ?
P3 C46 C51 C60 10.3(6) . . . . ?
C5 C1 C2 Rh1 74.6(3) . . . . ?
C5 C1 C2 C3 9.5(4) . . . . ?
C5 C4 C6 C7 0.6(6) . . . . ?
C1 C5 C4 Rh1 -54.1(2) . . . . ?
C1 C5 C4 C3 -1.6(4) . . . . ?
C1 C5 C4 C6 177.4(3) . . . . ?
C1 C5 C9 C8 -177.4(4) . . . . ?
C1 C2 C3 Rh1 63.6(3) . . . . ?
C1 C2 C3 C4 -10.5(4) . . . . ?
C2 C3 C4 Rh1 65.3(3) . . . . ?
C2 C3 C4 C5 7.4(4) . . . . ?
C2 C3 C4 C6 -171.4(4) . . . . ?
C3 C4 C6 C7 179.3(4) . . . . ?
C4 C5 C1 Rh1 62.1(3) . . . . ?
C4 C5 C1 C2 -4.8(4) . . . . ?
C4 C5 C9 C8 1.8(6) . . . . ?
C4 C6 C7 C8 0.9(7) . . . . ?
C6 C7 C8 C9 -1.1(7) . . . . ?
C7 C8 C9 C5 -0.3(6) . . . . ?
C9 C5 C1 Rh1 -118.6(4) . . . . ?
C9 C5 C1 C2 174.5(4) . . . . ?
C9 C5 C4 Rh1 126.6(4) . . . . ?
C9 C5 C4 C3 179.1(4) . . . . ?
C9 C5 C4 C6 -1.9(6) . . . . ?
C10 P1 C16 C17 -13.9(4) . . . . ?
C10 P1 C16 C21 172.5(3) . . . . ?
C10 P1 C22 C23 -124.9(3) . . . . ?
C10 P1 C22 C27 54.6(3) . . . . ?
C10 C11 C12 C13 -1.0(6) . . . . ?
C11 C10 C15 C14 -2.7(6) . . . . ?
C11 C12 C13 C14 -1.2(7) . . . . ?
C12 C13 C14 C15 1.4(7) . . . . ?
C13 C14 C15 C10 0.6(7) . . . . ?
C15 C10 C11 C12 2.9(6) . . . . ?
C16 P1 C10 C11 112.3(3) . . . . ?
C16 P1 C10 C15 -64.1(4) . . . . ?
C16 P1 C22 C23 -20.4(4) . . . . ?
C16 P1 C22 C27 159.1(3) . . . . ?
C16 C17 C18 C19 0.7(8) . . . . ?
C17 C16 C21 C20 1.2(6) . . . . ?
C17 C18 C19 C20 0.2(8) . . . . ?
C18 C19 C20 C21 -0.3(8) . . . . ?
C19 C20 C21 C16 -0.4(7) . . . . ?
C21 C16 C17 C18 -1.4(7) . . . . ?
C22 P1 C10 C11 -140.5(3) . . . . ?
C22 P1 C10 C15 43.1(4) . . . . ?
C22 P1 C16 C17 -116.7(4) . . . . ?
C22 P1 C16 C21 69.7(4) . . . . ?
C22 C23 C24 C25 0.3(7) . . . . ?
C23 C22 C27 C26 0.1(6) . . . . ?
C23 C24 C25 C26 0.2(7) . . . . ?
C24 C25 C26 C27 -0.6(7) . . . . ?
C25 C26 C27 C22 0.4(6) . . . . ?
C27 C22 C23 C24 -0.4(6) . . . . ?
C28 P2 C34 C35 -112.8(3) . . . . ?
C28 P2 C34 C38 72.0(4) . . . . ?
C28 P2 C40 C41 -155.8(3) . . . . ?
C28 P2 C40 C45 25.5(4) . . . . ?
C28 C29 C30 C31 0.6(6) . . . . ?
C29 C28 C33 C32 -1.2(6) . . . . ?
C29 C30 C31 C32 -1.7(7) . . . . ?
C30 C31 C32 C33 1.2(6) . . . . ?
C31 C32 C33 C28 0.2(6) . . . . ?
C33 C28 C29 C30 0.8(6) . . . . ?
C34 P2 C28 C29 -4.2(4) . . . . ?
C34 P2 C28 C33 170.3(3) . . . . ?
C34 P2 C40 C41 97.6(3) . . . . ?
C34 P2 C40 C45 -81.1(3) . . . . ?
C34 C35 C36 C37 -1.6(7) . . . . ?
C34 C38 C39 C37 -1.4(7) . . . . ?
C35 C34 C38 C39 -1.0(6) . . . . ?
C35 C36 C37 C39 -0.8(7) . . . . ?
C36 C37 C39 C38 2.3(7) . . . . ?
C38 C34 C35 C36 2.5(6) . . . . ?
C40 P2 C28 C29 -110.8(3) . . . . ?
C40 P2 C28 C33 63.7(3) . . . . ?
C40 P2 C34 C35 -8.4(4) . . . . ?
C40 P2 C34 C38 176.4(3) . . . . ?
C40 C41 C42 C43 -0.4(6) . . . . ?
C41 C40 C45 C44 1.7(6) . . . . ?
C41 C42 C43 C44 1.0(6) . . . . ?
C42 C43 C44 C45 -0.3(6) . . . . ?
C43 C44 C45 C40 -1.1(6) . . . . ?
C45 C40 C41 C42 -1.0(6) . . . . ?
C46 C47 C48 C49 1.9(7) . . . . ?
C46 C47 C52 C53 -79.9(5) . . . . ?
C46 C47 C52 C57 107.6(5) . . . . ?
C46 C51 C60 C61 73.7(5) . . . . ?
C46 C51 C60 C65 -112.4(5) . . . . ?
C47 C46 C51 C50 5.1(6) . . . . ?
C47 C46 C51 C60 -170.3(4) . . . . ?
C47 C48 C49 C50 1.9(8) . . . . ?
C47 C52 C53 C54 -178.1(4) . . . . ?
C47 C52 C53 C58 -1.2(6) . . . . ?
C47 C52 C57 C56 178.0(4) . . . . ?
C47 C52 C57 C59 0.3(6) . . . . ?
C48 C47 C52 C53 93.4(5) . . . . ?
C48 C47 C52 C57 -79.1(5) . . . . ?
C48 C49 C50 C51 -2.1(8) . . . . ?
C49 C50 C51 C46 -1.4(7) . . . . ?
C49 C50 C51 C60 174.4(5) . . . . ?
C50 C51 C60 C61 -101.9(4) . . . . ?
C50 C51 C60 C65 72.0(5) . . . . ?
C51 C46 C47 C48 -5.4(6) . . . . ?
C51 C46 C47 C52 167.6(4) . . . . ?
C51 C60 C61 C62 178.2(3) . . . . ?
C51 C60 C61 C66 -0.8(5) . . . . ?
C51 C60 C65 C64 -177.2(4) . . . . ?
C51 C60 C65 C67 3.4(6) . . . . ?
C52 C47 C48 C49 -171.8(5) . . . . ?
C52 C53 C54 C55 1.4(6) . . . . ?
C53 C52 C57 C56 5.8(6) . . . . ?
C53 C52 C57 C59 -171.9(4) . . . . ?
C53 C54 C55 C56 2.5(7) . . . . ?
C54 C55 C56 C57 -2.3(7) . . . . ?
C55 C56 C57 C52 -1.8(7) . . . . ?
C55 C56 C57 C59 176.0(4) . . . . ?
C57 C52 C53 C54 -5.6(6) . . . . ?
C57 C52 C53 C58 171.2(4) . . . . ?
C58 C53 C54 C55 -175.5(4) . . . . ?
C60 C61 C62 C63 -1.8(6) . . . . ?
C61 C60 C65 C64 -3.4(6) . . . . ?
C61 C60 C65 C67 177.2(4) . . . . ?
C61 C62 C63 C64 -1.4(7) . . . . ?
C62 C63 C64 C65 2.3(7) . . . . ?
C63 C64 C65 C60 0.1(6) . . . . ?
C63 C64 C65 C67 179.5(4) . . . . ?
C65 C60 C61 C62 4.3(6) . . . . ?
C65 C60 C61 C66 -174.7(4) . . . . ?
C66 C61 C62 C63 177.2(4) . . . . ?
C68 P3 C46 C47 -159.3(3) . . . . ?
C68 P3 C46 C51 20.1(4) . . . . ?
C69 P3 C46 C47 -53.8(3) . . . . ?
C69 P3 C46 C51 125.6(3) . . . . ?
S1 N1 S2 O3 -134.4(4) . . . . ?
S1 N1 S2 O4 4.4(5) . . . . ?
S1 N1 S2 C71 117.9(4) . . . . ?
O1 S1 N1 S2 -24.6(6) . . . . ?
O1 S1 C70 F1 61.9(6) . . . . ?
O1 S1 C70 F2 -61.6(7) . . . . ?
O1 S1 C70 F3 -178.8(5) . . . . ?
O2 S1 N1 S2 -160.1(4) . . . . ?
O2 S1 C70 F1 -175.4(5) . . . . ?
O2 S1 C70 F2 61.1(7) . . . . ?
O2 S1 C70 F3 -56.1(6) . . . . ?
N1 S1 C70 F1 -62.4(6) . . . . ?
N1 S1 C70 F2 174.1(6) . . . . ?
N1 S1 C70 F3 56.9(6) . . . . ?
N1 S2 C71 F4 -177.3(4) . . . . ?
N1 S2 C71 F5 -63.1(5) . . . . ?
N1 S2 C71 F6 66.6(6) . . . . ?
C70 S1 N1 S2 89.3(5) . . . . ?
O3 S2 C71 F4 71.5(5) . . . . ?
O3 S2 C71 F5 -174.3(5) . . . . ?
O3 S2 C71 F6 -44.5(6) . . . . ?
O4 S2 C71 F4 -56.5(5) . . . . ?
O4 S2 C71 F5 57.7(6) . . . . ?
O4 S2 C71 F6 -172.6(5) . . . . ?
C72 C73 C74 C75 1.9(10) . . . . ?
C73 C72 C77 C76 -1.9(8) . . . . ?
C73 C74 C75 C76 -2.3(9) . . . . ?
C74 C75 C76 C77 0.7(9) . . . . ?
C75 C76 C77 C72 1.4(8) . . . . ?
C77 C72 C73 C74 0.3(9) . . . . ?
C78 C79 C83 C82 0.5(9) . . . . ?
C78 C80 C81 C82 -0.4(12) . . . . ?
C79 C78 C80 C81 -0.2(11) . . . . ?
C83 C82 C81 C80 1.1(11) . . . . ?
C80 C78 C79 C83 0.1(10) . . . . ?
C81 C82 C83 C79 -1.1(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_[(PCyp2ArXyl2)Au2(dppe)](NTf2)2
_database_code_depnum_ccdc_archive 'CCDC 2223987'
loop_
_audit_author_name
_audit_author_address
'Macarena Gonzalez Alferez'
;csic
Spain
;
_audit_update_record             
;
2023-02-21 deposited with the CCDC.	2023-02-22 downloaded from the CCDC.
;
_audit_creation_date             2022-12-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C45 H51 Au P2'
_chemical_formula_sum            'C45 H51 Au P2'
_chemical_formula_weight         850.76
_chemical_melting_point          ?
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.5273(5)
_cell_length_b                   20.7432(8)
_cell_length_c                   16.8019(7)
_cell_angle_alpha                90
_cell_angle_beta                 91.1697(12)
_cell_angle_gamma                90
_cell_volume                     4713.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9892
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      28.20
_cell_measurement_theta_min      2.31
_shelx_estimated_absorpt_T_max   0.699
_shelx_estimated_absorpt_T_min   0.595
_exptl_absorpt_coefficient_mu    3.214
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5958
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0771 before and 0.0500 after correction.
The Ratio of minimum to maximum transmission is 0.7882.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            white
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1720
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0790
_diffrn_reflns_av_unetI/netI     0.0428
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            83091
_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         28.298
_diffrn_reflns_theta_min         1.952
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8801
_reflns_number_total             11695
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.677
_refine_diff_density_min         -1.333
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         11695
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0403
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0391P)²+13.2344P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0920
_refine_ls_wR_factor_ref         0.1043
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(H30C)=Sof(H30D)=Sof(C31B)=Sof(H31C)=Sof(H31D)=Sof(H32C)=Sof(H32D)=1-FVAR(1)
 Sof(H30A)=Sof(H30B)=Sof(C31A)=Sof(H31A)=Sof(H31B)=Sof(H32A)=Sof(H32B)=FVAR(1)
 Sof(Au2)=1-FVAR(2)
 Sof(Au1)=FVAR(2)
3.a Ternary CH refined with riding coordinates:
 C23(H23), C28(H28)
3.b Secondary CH2 refined with riding coordinates:
 C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B), C27(H27A,H27B), C29(H29A,
 H29B), C30(H30A,H30B), C30(H30C,H30D), C31A(H31A,H31B), C31B(H31C,H31D),
 C32(H32A,H32B), C32(H32C,H32D), C45(H45A,H45B)
3.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C11(H11), C17(H17), C18(H18),
 C19(H19), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38), C40(H40), C41(H41),
  C42(H42), C43(H43), C44(H44)
3.d Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C21(H21A,H21B,H21C), C22(H22A,H22B,
 H22C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.70396(2) 0.95684(2) 0.61002(2) 0.03026(8) Uani 0.9793(18) 1 d . . P A
1
Au2 Au 0.7074(8) 0.9991(16) 0.6094(5) 0.053(8) Uani 0.0207(18) 1 d . . P A 2
P1 P 0.74864(8) 0.99507(6) 0.73603(7) 0.0288(2) Uani 1 1 d . . . . .
P2 P 0.63964(8) 0.94531(6) 0.48277(7) 0.0293(2) Uani 1 1 d . . . . .
C1 C 0.8539(3) 0.9525(2) 0.7830(3) 0.0294(9) Uani 1 1 d . . . . .
C2 C 0.8970(3) 0.9012(2) 0.7406(3) 0.0295(9) Uani 1 1 d . . . . .
C6 C 0.8980(3) 0.9704(2) 0.8570(3) 0.0303(9) Uani 1 1 d . . . . .
C3 C 0.9855(3) 0.8738(2) 0.7672(3) 0.0343(10) Uani 1 1 d . . . . .
H3 H 1.015351 0.840762 0.736775 0.041 Uiso 1 1 calc R U . . .
C33 C 0.5776(3) 0.8693(2) 0.4615(3) 0.0319(9) Uani 1 1 d . . . . .
C4 C 1.0303(3) 0.8941(2) 0.8374(3) 0.0363(10) Uani 1 1 d . . . . .
H4 H 1.091263 0.875687 0.854868 0.044 Uiso 1 1 calc R U . . .
C5 C 0.9857(3) 0.9416(2) 0.8819(3) 0.0359(11) Uani 1 1 d . . . . .
H5 H 1.015927 0.954715 0.930840 0.043 Uiso 1 1 calc R U . . .
C7 C 0.8523(3) 0.8667(2) 0.6692(3) 0.0342(10) Uani 1 1 d . . . . .
C8 C 0.8945(4) 0.8720(3) 0.5944(3) 0.0397(11) Uani 1 1 d . . . . .
C9 C 0.8648(4) 0.8288(3) 0.5348(3) 0.0514(14) Uani 1 1 d . . . . .
H9 H 0.893868 0.831399 0.483943 0.062 Uiso 1 1 calc R U . . .
C10 C 0.7945(5) 0.7829(3) 0.5484(4) 0.0610(17) Uani 1 1 d . . . . .
H10 H 0.775243 0.754143 0.506860 0.073 Uiso 1 1 calc R U . . .
C11 C 0.7517(4) 0.7779(3) 0.6212(4) 0.0547(15) Uani 1 1 d . . . . .
H11 H 0.701773 0.746504 0.629279 0.066 Uiso 1 1 calc R U . . .
C12 C 0.7809(4) 0.8188(2) 0.6843(3) 0.0414(11) Uani 1 1 d . . . . .
C13 C 0.9707(4) 0.9218(3) 0.5768(3) 0.0525(14) Uani 1 1 d . . . . .
H13A H 0.965611 0.957299 0.614987 0.079 Uiso 1 1 calc R U . . .
H13B H 0.959708 0.938312 0.522695 0.079 Uiso 1 1 calc R U . . .
H13C H 1.036653 0.902475 0.581218 0.079 Uiso 1 1 calc R U . . .
C14 C 0.7380(5) 0.8098(3) 0.7648(4) 0.0566(15) Uani 1 1 d . . . . .
H14A H 0.789895 0.795313 0.802272 0.085 Uiso 1 1 calc R U . . .
H14B H 0.685355 0.777404 0.761794 0.085 Uiso 1 1 calc R U . . .
H14C H 0.710700 0.850811 0.783252 0.085 Uiso 1 1 calc R U . . .
C15 C 0.8520(3) 1.0161(2) 0.9153(3) 0.0342(10) Uani 1 1 d . . . . .
C16 C 0.8824(4) 1.0801(3) 0.9207(3) 0.0392(11) Uani 1 1 d . . . . .
C20 C 0.7877(4) 0.9907(3) 0.9712(3) 0.0430(12) Uani 1 1 d . . . . .
C17 C 0.8380(4) 1.1200(3) 0.9766(3) 0.0539(16) Uani 1 1 d . . . . .
H17 H 0.855580 1.164276 0.978608 0.065 Uiso 1 1 calc R U . . .
C18 C 0.7704(4) 1.0970(4) 1.0280(3) 0.0594(18) Uani 1 1 d . . . . .
H18 H 0.738912 1.125315 1.063985 0.071 Uiso 1 1 calc R U . . .
C19 C 0.7476(4) 1.0318(4) 1.0276(3) 0.0599(18) Uani 1 1 d . . . . .
H19 H 0.704062 1.014985 1.066105 0.072 Uiso 1 1 calc R U . . .
C21 C 0.9658(4) 1.1065(3) 0.8716(3) 0.0515(14) Uani 1 1 d . . . . .
H21A H 1.026526 1.108249 0.904337 0.077 Uiso 1 1 calc R U . . .
H21B H 0.948709 1.149992 0.853131 0.077 Uiso 1 1 calc R U . . .
H21C H 0.976029 1.078420 0.825637 0.077 Uiso 1 1 calc R U . . .
C22 C 0.7648(5) 0.9196(3) 0.9752(4) 0.0633(17) Uani 1 1 d . . . . .
H22A H 0.766290 0.901158 0.921609 0.095 Uiso 1 1 calc R U . . .
H22B H 0.699036 0.913485 0.997379 0.095 Uiso 1 1 calc R U . . .
H22C H 0.814313 0.898115 1.009368 0.095 Uiso 1 1 calc R U . . .
C23 C 0.6424(3) 0.9958(3) 0.8033(3) 0.0400(11) Uani 1 1 d . . . . .
H23 H 0.658102 0.964011 0.846456 0.048 Uiso 1 1 calc R U . . .
C24 C 0.5443(4) 0.9735(5) 0.7640(4) 0.084(3) Uani 1 1 d . . . . .
H24A H 0.532478 0.995573 0.712435 0.101 Uiso 1 1 calc R U . . .
H24B H 0.544467 0.926287 0.754984 0.101 Uiso 1 1 calc R U . . .
C25 C 0.4664(5) 0.9924(6) 0.8242(5) 0.108(4) Uani 1 1 d . . . . .
H25A H 0.407712 1.010969 0.796504 0.130 Uiso 1 1 calc R U . . .
H25B H 0.445269 0.954105 0.854638 0.130 Uiso 1 1 calc R U . . .
C26 C 0.5119(6) 1.0405(5) 0.8782(6) 0.101(3) Uani 1 1 d . . . . .
H26A H 0.519989 1.022427 0.932447 0.122 Uiso 1 1 calc R U . . .
H26B H 0.469791 1.079421 0.880934 0.122 Uiso 1 1 calc R U . . .
C27 C 0.6131(5) 1.0577(4) 0.8443(4) 0.0631(18) Uani 1 1 d . . . . .
H27A H 0.607737 1.093843 0.806075 0.076 Uiso 1 1 calc R U . . .
H27B H 0.661082 1.069174 0.887282 0.076 Uiso 1 1 calc R U . . .
C28 C 0.7881(3) 1.0789(2) 0.7223(3) 0.0365(10) Uani 1 1 d . . . . .
H28 H 0.801979 1.098995 0.775507 0.044 Uiso 1 1 calc R U . . .
C29 C 0.7075(4) 1.1194(3) 0.6766(3) 0.0460(13) Uani 1 1 d . . . . .
H29A H 0.650928 1.091799 0.660177 0.055 Uiso 1 1 calc R U . . .
H29B H 0.682957 1.154764 0.710448 0.055 Uiso 1 1 calc R U . . .
C30 C 0.7596(6) 1.1464(4) 0.6036(4) 0.081(2) Uani 1 1 d . . . . .
H30A H 0.714805 1.145711 0.556240 0.097 Uiso 0.583(18) 1 calc R U P B 1
H30B H 0.781605 1.191282 0.613270 0.097 Uiso 0.583(18) 1 calc R U P B 1
H30C H 0.744359 1.119730 0.556038 0.097 Uiso 0.417(18) 1 calc R U P B 2
H30D H 0.737811 1.191179 0.592782 0.097 Uiso 0.417(18) 1 calc R U P B 2
C31A C 0.8433(8) 1.1044(6) 0.5923(6) 0.051(3) Uani 0.583(18) 1 d . . P B 1
H31A H 0.895567 1.127502 0.563401 0.061 Uiso 0.583(18) 1 calc R U P B 1
H31B H 0.822946 1.066264 0.560609 0.061 Uiso 0.583(18) 1 calc R U P B 1
C31B C 0.8672(13) 1.1446(10) 0.6231(12) 0.070(6) Uiso 0.417(18) 1 d . . P B 2
H31C H 0.887429 1.182900 0.654567 0.084 Uiso 0.417(18) 1 calc R U P B 2
H31D H 0.906407 1.143028 0.574016 0.084 Uiso 0.417(18) 1 calc R U P B 2
C32 C 0.8807(4) 1.0842(3) 0.6707(4) 0.0502(13) Uani 1 1 d . . . . .
H32A H 0.927468 1.116495 0.693122 0.060 Uiso 0.583(18) 1 calc R U P B 1
H32B H 0.914855 1.042111 0.667395 0.060 Uiso 0.583(18) 1 calc R U P B 1
H32C H 0.941251 1.086883 0.704705 0.060 Uiso 0.417(18) 1 calc R U P B 2
H32D H 0.886072 1.046313 0.635280 0.060 Uiso 0.417(18) 1 calc R U P B 2
C34 C 0.5414(4) 0.8333(3) 0.5247(3) 0.0417(11) Uani 1 1 d . . . . .
H34 H 0.553580 0.847048 0.577991 0.050 Uiso 1 1 calc R U . . .
C35 C 0.4878(4) 0.7776(3) 0.5099(4) 0.0535(14) Uani 1 1 d . . . . .
H35 H 0.461980 0.753795 0.553031 0.064 Uiso 1 1 calc R U . . .
C36 C 0.4717(4) 0.7565(3) 0.4332(4) 0.0508(14) Uani 1 1 d . . . . .
H36 H 0.435010 0.718214 0.423421 0.061 Uiso 1 1 calc R U . . .
C37 C 0.5088(4) 0.7909(3) 0.3707(4) 0.0493(13) Uani 1 1 d . . . . .
H37 H 0.499485 0.775281 0.317939 0.059 Uiso 1 1 calc R U . . .
C38 C 0.5595(4) 0.8481(3) 0.3833(3) 0.0399(11) Uani 1 1 d . . . . .
H38 H 0.581766 0.872666 0.339503 0.048 Uiso 1 1 calc R U . . .
C39 C 0.7210(3) 0.9615(2) 0.4004(3) 0.0314(9) Uani 1 1 d . . . . .
C40 C 0.7743(4) 0.9116(3) 0.3662(3) 0.0403(11) Uani 1 1 d . . . . .
H40 H 0.769004 0.868902 0.386269 0.048 Uiso 1 1 calc R U . . .
C41 C 0.8350(4) 0.9244(3) 0.3032(4) 0.0489(13) Uani 1 1 d . . . . .
H41 H 0.871130 0.890471 0.279405 0.059 Uiso 1 1 calc R U . . .
C42 C 0.8431(4) 0.9860(3) 0.2747(4) 0.0533(14) Uani 1 1 d . . . . .
H42 H 0.884717 0.994413 0.231024 0.064 Uiso 1 1 calc R U . . .
C43 C 0.7919(5) 1.0356(3) 0.3087(4) 0.0631(18) Uani 1 1 d . . . . .
H43 H 0.798496 1.078284 0.288888 0.076 Uiso 1 1 calc R U . . .
C44 C 0.7305(4) 1.0234(3) 0.3717(4) 0.0507(14) Uani 1 1 d . . . . .
H44 H 0.694940 1.057673 0.395301 0.061 Uiso 1 1 calc R U . . .
C45 C 0.5407(3) 1.0055(2) 0.4705(3) 0.0316(10) Uani 1 1 d . . . . .
H45A H 0.568589 1.049248 0.478406 0.038 Uiso 1 1 calc R U . . .
H45B H 0.512708 1.003071 0.415700 0.038 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 P1 2.3291(11) . ?
Au1 P2 2.3043(11) . ?
Au2 P1 2.190(10) . ?
Au2 P2 2.556(15) . ?
P1 C1 1.840(5) . ?
P1 C23 1.847(5) . ?
P1 C28 1.835(5) . ?
P2 C33 1.817(5) . ?
P2 C39 1.817(5) . ?
P2 C45 1.840(4) . ?
C1 C2 1.413(6) . ?
C1 C6 1.417(6) . ?
C2 C3 1.391(6) . ?
C2 C7 1.512(6) . ?
C6 C5 1.386(6) . ?
C6 C15 1.507(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.381(6) . ?
C33 C34 1.396(7) . ?
C33 C38 1.402(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.383(7) . ?
C5 H5 0.9500 . ?
C7 C8 1.396(7) . ?
C7 C12 1.412(7) . ?
C8 C9 1.395(7) . ?
C8 C13 1.493(8) . ?
C9 H9 0.9500 . ?
C9 C10 1.369(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.367(9) . ?
C11 H11 0.9500 . ?
C11 C12 1.408(7) . ?
C12 C14 1.496(8) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.391(7) . ?
C15 C20 1.398(7) . ?
C16 C17 1.396(7) . ?
C16 C21 1.514(8) . ?
C20 C19 1.392(8) . ?
C20 C22 1.507(9) . ?
C17 H17 0.9500 . ?
C17 C18 1.358(9) . ?
C18 H18 0.9500 . ?
C18 C19 1.387(9) . ?
C19 H19 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23 1.0000 . ?
C23 C24 1.540(8) . ?
C23 C27 1.514(8) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.528(9) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.475(12) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.534(10) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28 1.0000 . ?
C28 C29 1.565(7) . ?
C28 C32 1.542(7) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.533(9) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 H30C 0.9900 . ?
C30 H30D 0.9900 . ?
C30 C31A 1.444(12) . ?
C30 C31B 1.486(19) . ?
C31A H31A 0.9900 . ?
C31A H31B 0.9900 . ?
C31A C32 1.463(11) . ?
C31B H31C 0.9900 . ?
C31B H31D 0.9900 . ?
C31B C32 1.496(18) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 H32C 0.9900 . ?
C32 H32D 0.9900 . ?
C34 H34 0.9500 . ?
C34 C35 1.384(8) . ?
C35 H35 0.9500 . ?
C35 C36 1.374(8) . ?
C36 H36 0.9500 . ?
C36 C37 1.373(8) . ?
C37 H37 0.9500 . ?
C37 C38 1.383(7) . ?
C38 H38 0.9500 . ?
C39 C40 1.394(6) . ?
C39 C44 1.377(7) . ?
C40 H40 0.9500 . ?
C40 C41 1.379(7) . ?
C41 H41 0.9500 . ?
C41 C42 1.369(8) . ?
C42 H42 0.9500 . ?
C42 C43 1.372(8) . ?
C43 H43 0.9500 . ?
C43 C44 1.382(8) . ?
C44 H44 0.9500 . ?
C45 C45 1.513(8) 3_676 ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?

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 164.77(4) . . ?
P1 Au2 P2 150.7(15) . . ?
C1 P1 Au1 114.25(15) . . ?
C1 P1 Au2 127.9(6) . . ?
C1 P1 C23 110.3(2) . . ?
C23 P1 Au1 111.59(16) . . ?
C23 P1 Au2 114.1(3) . . ?
C28 P1 Au1 106.23(16) . . ?
C28 P1 Au2 84.9(8) . . ?
C28 P1 C1 106.5(2) . . ?
C28 P1 C23 107.5(2) . . ?
C33 P2 Au1 115.90(15) . . ?
C33 P2 Au2 134.3(6) . . ?
C33 P2 C39 107.1(2) . . ?
C33 P2 C45 103.6(2) . . ?
C39 P2 Au1 117.69(15) . . ?
C39 P2 Au2 109.9(3) . . ?
C39 P2 C45 103.9(2) . . ?
C45 P2 Au1 107.06(15) . . ?
C45 P2 Au2 92.5(6) . . ?
C2 C1 P1 117.9(3) . . ?
C2 C1 C6 118.0(4) . . ?
C6 C1 P1 124.0(3) . . ?
C1 C2 C7 126.5(4) . . ?
C3 C2 C1 120.5(4) . . ?
C3 C2 C7 112.9(4) . . ?
C1 C6 C15 124.3(4) . . ?
C5 C6 C1 119.6(4) . . ?
C5 C6 C15 115.9(4) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(4) . . ?
C4 C3 H3 119.7 . . ?
C34 C33 P2 118.8(4) . . ?
C34 C33 C38 119.2(5) . . ?
C38 C33 P2 121.9(4) . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.4(4) . . ?
C5 C4 H4 120.3 . . ?
C6 C5 H5 119.2 . . ?
C4 C5 C6 121.6(4) . . ?
C4 C5 H5 119.2 . . ?
C8 C7 C2 120.9(4) . . ?
C8 C7 C12 120.6(5) . . ?
C12 C7 C2 117.1(4) . . ?
C7 C8 C13 121.9(5) . . ?
C9 C8 C7 118.6(5) . . ?
C9 C8 C13 119.5(5) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.2(5) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.6(5) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 120.7(6) . . ?
C12 C11 H11 119.7 . . ?
C7 C12 C14 121.9(5) . . ?
C11 C12 C7 118.2(5) . . ?
C11 C12 C14 119.9(5) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C6 121.2(4) . . ?
C16 C15 C20 120.2(5) . . ?
C20 C15 C6 118.0(5) . . ?
C15 C16 C17 118.6(5) . . ?
C15 C16 C21 122.2(5) . . ?
C17 C16 C21 119.1(5) . . ?
C15 C20 C22 122.1(5) . . ?
C19 C20 C15 118.8(6) . . ?
C19 C20 C22 119.0(5) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 C16 121.6(6) . . ?
C18 C17 H17 119.2 . . ?
C17 C18 H18 120.3 . . ?
C17 C18 C19 119.4(6) . . ?
C19 C18 H18 120.3 . . ?
C20 C19 H19 119.6 . . ?
C18 C19 C20 120.7(6) . . ?
C18 C19 H19 119.6 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
P1 C23 H23 106.4 . . ?
C24 C23 P1 114.2(4) . . ?
C24 C23 H23 106.4 . . ?
C27 C23 P1 120.0(4) . . ?
C27 C23 H23 106.4 . . ?
C27 C23 C24 102.7(5) . . ?
C23 C24 H24A 111.0 . . ?
C23 C24 H24B 111.0 . . ?
H24A C24 H24B 109.0 . . ?
C25 C24 C23 103.8(5) . . ?
C25 C24 H24A 111.0 . . ?
C25 C24 H24B 111.0 . . ?
C24 C25 H25A 110.3 . . ?
C24 C25 H25B 110.3 . . ?
H25A C25 H25B 108.5 . . ?
C26 C25 C24 107.2(6) . . ?
C26 C25 H25A 110.3 . . ?
C26 C25 H25B 110.3 . . ?
C25 C26 H26A 110.3 . . ?
C25 C26 H26B 110.3 . . ?
C25 C26 C27 107.1(6) . . ?
H26A C26 H26B 108.6 . . ?
C27 C26 H26A 110.3 . . ?
C27 C26 H26B 110.3 . . ?
C23 C27 C26 102.5(6) . . ?
C23 C27 H27A 111.3 . . ?
C23 C27 H27B 111.3 . . ?
C26 C27 H27A 111.3 . . ?
C26 C27 H27B 111.3 . . ?
H27A C27 H27B 109.2 . . ?
P1 C28 H28 109.4 . . ?
C29 C28 P1 111.6(4) . . ?
C29 C28 H28 109.4 . . ?
C32 C28 P1 112.3(4) . . ?
C32 C28 H28 109.4 . . ?
C32 C28 C29 104.6(4) . . ?
C28 C29 H29A 110.7 . . ?
C28 C29 H29B 110.7 . . ?
H29A C29 H29B 108.8 . . ?
C30 C29 C28 105.2(5) . . ?
C30 C29 H29A 110.7 . . ?
C30 C29 H29B 110.7 . . ?
C29 C30 H30A 110.7 . . ?
C29 C30 H30B 110.7 . . ?
C29 C30 H30C 110.5 . . ?
C29 C30 H30D 110.5 . . ?
H30A C30 H30B 108.8 . . ?
H30C C30 H30D 108.7 . . ?
C31A C30 C29 105.0(6) . . ?
C31A C30 H30A 110.7 . . ?
C31A C30 H30B 110.7 . . ?
C31B C30 C29 106.2(8) . . ?
C31B C30 H30C 110.5 . . ?
C31B C30 H30D 110.5 . . ?
C30 C31A H31A 110.1 . . ?
C30 C31A H31B 110.1 . . ?
C30 C31A C32 108.2(7) . . ?
H31A C31A H31B 108.4 . . ?
C32 C31A H31A 110.1 . . ?
C32 C31A H31B 110.1 . . ?
C30 C31B H31C 110.9 . . ?
C30 C31B H31D 110.9 . . ?
C30 C31B C32 104.3(12) . . ?
H31C C31B H31D 108.9 . . ?
C32 C31B H31C 110.9 . . ?
C32 C31B H31D 110.9 . . ?
C28 C32 H32A 110.8 . . ?
C28 C32 H32B 110.8 . . ?
C28 C32 H32C 110.6 . . ?
C28 C32 H32D 110.6 . . ?
C31A C32 C28 104.8(5) . . ?
C31A C32 H32A 110.8 . . ?
C31A C32 H32B 110.8 . . ?
C31B C32 C28 105.6(8) . . ?
C31B C32 H32C 110.6 . . ?
C31B C32 H32D 110.6 . . ?
H32A C32 H32B 108.9 . . ?
H32C C32 H32D 108.8 . . ?
C33 C34 H34 120.0 . . ?
C35 C34 C33 120.0(5) . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 119.8 . . ?
C36 C35 C34 120.5(6) . . ?
C36 C35 H35 119.8 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 119.9(5) . . ?
C37 C36 H36 120.0 . . ?
C36 C37 H37 119.5 . . ?
C36 C37 C38 121.0(5) . . ?
C38 C37 H37 119.5 . . ?
C33 C38 H38 120.3 . . ?
C37 C38 C33 119.4(5) . . ?
C37 C38 H38 120.3 . . ?
C40 C39 P2 120.2(4) . . ?
C44 C39 P2 120.1(4) . . ?
C44 C39 C40 119.7(4) . . ?
C39 C40 H40 120.2 . . ?
C41 C40 C39 119.6(5) . . ?
C41 C40 H40 120.2 . . ?
C40 C41 H41 119.9 . . ?
C42 C41 C40 120.2(5) . . ?
C42 C41 H41 119.9 . . ?
C41 C42 H42 119.7 . . ?
C41 C42 C43 120.7(5) . . ?
C43 C42 H42 119.7 . . ?
C42 C43 H43 120.1 . . ?
C42 C43 C44 119.8(6) . . ?
C44 C43 H43 120.1 . . ?
C39 C44 C43 120.1(5) . . ?
C39 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
P2 C45 H45A 109.4 . . ?
P2 C45 H45B 109.4 . . ?
C45 C45 P2 111.2(4) 3_676 . ?
C45 C45 H45A 109.4 3_676 . ?
C45 C45 H45B 109.4 3_676 . ?
H45A C45 H45B 108.0 . . ?

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
Au1 P1 C1 C2 -0.6(4) . . . . ?
Au1 P1 C1 C6 175.5(3) . . . . ?
Au1 P1 C23 C24 -1.8(6) . . . . ?
Au1 P1 C23 C27 -124.3(4) . . . . ?
Au1 P1 C28 C29 53.4(4) . . . . ?
Au1 P1 C28 C32 -63.7(4) . . . . ?
Au1 P2 C33 C34 22.2(4) . . . . ?
Au1 P2 C33 C38 -162.0(3) . . . . ?
Au1 P2 C39 C40 92.7(4) . . . . ?
Au1 P2 C39 C44 -86.9(4) . . . . ?
Au1 P2 C45 C45 -61.0(5) . . . 3_676 ?
Au2 P1 C1 C2 -21.1(10) . . . . ?
Au2 P1 C1 C6 155.0(9) . . . . ?
Au2 P1 C23 C24 22.1(11) . . . . ?
Au2 P1 C23 C27 -100.4(10) . . . . ?
Au2 P1 C28 C29 47.5(6) . . . . ?
Au2 P1 C28 C32 -69.6(6) . . . . ?
Au2 P2 C33 C34 12.8(8) . . . . ?
Au2 P2 C33 C38 -171.5(7) . . . . ?
Au2 P2 C39 C40 112.9(8) . . . . ?
Au2 P2 C39 C44 -66.7(8) . . . . ?
Au2 P2 C45 C45 -75.0(6) . . . 3_676 ?
P1 C1 C2 C3 170.1(4) . . . . ?
P1 C1 C2 C7 -15.6(6) . . . . ?
P1 C1 C6 C5 -170.5(4) . . . . ?
P1 C1 C6 C15 14.3(6) . . . . ?
P1 C23 C24 C25 -167.9(6) . . . . ?
P1 C23 C27 C26 168.4(5) . . . . ?
P1 C28 C29 C30 -123.1(5) . . . . ?
P1 C28 C32 C31A 102.3(6) . . . . ?
P1 C28 C32 C31B 144.6(10) . . . . ?
P2 C33 C34 C35 175.4(4) . . . . ?
P2 C33 C38 C37 -177.7(4) . . . . ?
P2 C39 C40 C41 179.3(4) . . . . ?
P2 C39 C44 C43 -179.5(5) . . . . ?
C1 P1 C23 C24 -130.0(5) . . . . ?
C1 P1 C23 C27 107.6(5) . . . . ?
C1 P1 C28 C29 175.6(3) . . . . ?
C1 P1 C28 C32 58.5(4) . . . . ?
C1 C2 C3 C4 3.0(7) . . . . ?
C1 C2 C7 C8 113.2(5) . . . . ?
C1 C2 C7 C12 -80.1(6) . . . . ?
C1 C6 C5 C4 -1.9(7) . . . . ?
C1 C6 C15 C16 -101.0(5) . . . . ?
C1 C6 C15 C20 87.6(6) . . . . ?
C2 C1 C6 C5 5.6(6) . . . . ?
C2 C1 C6 C15 -169.6(4) . . . . ?
C2 C3 C4 C5 1.0(7) . . . . ?
C2 C7 C8 C9 166.1(5) . . . . ?
C2 C7 C8 C13 -13.3(7) . . . . ?
C2 C7 C12 C11 -168.4(5) . . . . ?
C2 C7 C12 C14 10.2(7) . . . . ?
C6 C1 C2 C3 -6.2(6) . . . . ?
C6 C1 C2 C7 168.1(4) . . . . ?
C6 C15 C16 C17 -179.2(4) . . . . ?
C6 C15 C16 C21 -2.8(7) . . . . ?
C6 C15 C20 C19 177.5(4) . . . . ?
C6 C15 C20 C22 0.9(7) . . . . ?
C3 C2 C7 C8 -72.2(6) . . . . ?
C3 C2 C7 C12 94.5(5) . . . . ?
C3 C4 C5 C6 -1.5(8) . . . . ?
C33 P2 C39 C40 -40.0(4) . . . . ?
C33 P2 C39 C44 140.4(4) . . . . ?
C33 P2 C45 C45 61.9(5) . . . 3_676 ?
C33 C34 C35 C36 1.5(8) . . . . ?
C5 C6 C15 C16 83.7(6) . . . . ?
C5 C6 C15 C20 -87.8(5) . . . . ?
C7 C2 C3 C4 -172.0(4) . . . . ?
C7 C8 C9 C10 1.2(8) . . . . ?
C8 C7 C12 C11 -1.7(7) . . . . ?
C8 C7 C12 C14 176.9(5) . . . . ?
C8 C9 C10 C11 -0.3(9) . . . . ?
C9 C10 C11 C12 -1.7(9) . . . . ?
C10 C11 C12 C7 2.6(8) . . . . ?
C10 C11 C12 C14 -176.0(6) . . . . ?
C12 C7 C8 C9 -0.2(7) . . . . ?
C12 C7 C8 C13 -179.6(5) . . . . ?
C13 C8 C9 C10 -179.4(6) . . . . ?
C15 C6 C5 C4 173.7(4) . . . . ?
C15 C16 C17 C18 3.6(7) . . . . ?
C15 C20 C19 C18 0.4(8) . . . . ?
C16 C15 C20 C19 6.0(7) . . . . ?
C16 C15 C20 C22 -170.6(5) . . . . ?
C16 C17 C18 C19 2.7(8) . . . . ?
C20 C15 C16 C17 -7.9(7) . . . . ?
C20 C15 C16 C21 168.4(5) . . . . ?
C17 C18 C19 C20 -4.7(8) . . . . ?
C21 C16 C17 C18 -172.9(5) . . . . ?
C22 C20 C19 C18 177.1(5) . . . . ?
C23 P1 C1 C2 126.0(4) . . . . ?
C23 P1 C1 C6 -57.9(4) . . . . ?
C23 P1 C28 C29 -66.2(4) . . . . ?
C23 P1 C28 C32 176.7(4) . . . . ?
C23 C24 C25 C26 17.9(11) . . . . ?
C24 C23 C27 C26 40.5(7) . . . . ?
C24 C25 C26 C27 7.3(12) . . . . ?
C25 C26 C27 C23 -30.1(9) . . . . ?
C27 C23 C24 C25 -36.4(8) . . . . ?
C28 P1 C1 C2 -117.6(4) . . . . ?
C28 P1 C1 C6 58.5(4) . . . . ?
C28 P1 C23 C24 114.3(5) . . . . ?
C28 P1 C23 C27 -8.2(5) . . . . ?
C28 C29 C30 C31A 21.5(9) . . . . ?
C28 C29 C30 C31B -21.2(11) . . . . ?
C29 C28 C32 C31A -18.9(7) . . . . ?
C29 C28 C32 C31B 23.4(10) . . . . ?
C29 C30 C31A C32 -35.2(10) . . . . ?
C29 C30 C31B C32 36.3(15) . . . . ?
C30 C31A C32 C28 34.2(10) . . . . ?
C30 C31B C32 C28 -37.1(14) . . . . ?
C32 C28 C29 C30 -1.4(6) . . . . ?
C34 C33 C38 C37 -2.0(7) . . . . ?
C34 C35 C36 C37 -0.1(9) . . . . ?
C35 C36 C37 C38 -2.3(9) . . . . ?
C36 C37 C38 C33 3.3(8) . . . . ?
C38 C33 C34 C35 -0.4(7) . . . . ?
C39 P2 C33 C34 155.9(4) . . . . ?
C39 P2 C33 C38 -28.4(4) . . . . ?
C39 P2 C45 C45 173.8(4) . . . 3_676 ?
C39 C40 C41 C42 0.5(9) . . . . ?
C40 C39 C44 C43 0.8(9) . . . . ?
C40 C41 C42 C43 0.4(10) . . . . ?
C41 C42 C43 C44 -0.7(11) . . . . ?
C42 C43 C44 C39 0.0(11) . . . . ?
C44 C39 C40 C41 -1.1(8) . . . . ?
C45 P2 C33 C34 -94.7(4) . . . . ?
C45 P2 C33 C38 81.1(4) . . . . ?
C45 P2 C39 C40 -149.2(4) . . . . ?
C45 P2 C39 C44 31.2(5) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.431 0.250 -0.865 648.3 317.0 ?
2 -0.698 0.750 -0.264 648.3 312.7 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_7cCyp
_database_code_depnum_ccdc_archive 'CCDC 2223986'
loop_
_audit_author_name
_audit_author_address
'Macarena Gonzalez Alferez'
;csic
Spain
;
_audit_update_record             
;
2023-02-21 deposited with the CCDC.	2023-02-22 downloaded from the CCDC.
;
_audit_creation_date             2023-02-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C67 H70 Au P3 Rh, C2 F6 N O4 S2'
_chemical_formula_sum            'C69 H70 Au F6 N O4 P3 Rh S2'
_chemical_formula_weight         1548.16
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   13.0982(4)
_cell_length_b                   17.1018(4)
_cell_length_c                   30.9379(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6930.2(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9941
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      24.99
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   0.951
_shelx_estimated_absorpt_T_min   0.785
_exptl_absorpt_coefficient_mu    2.544
_exptl_absorpt_correction_T_max  0.7391
_exptl_absorpt_correction_T_min  0.6388
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1145 before and 0.1037 after correction.
The Ratio of minimum to maximum transmission is 0.8643.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             3112
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1570
_diffrn_reflns_av_unetI/netI     0.0725
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            141225
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.690
_diffrn_reflns_theta_min         2.066
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.819
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                10090
_reflns_number_total             13142
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.270
_refine_diff_density_min         -1.341
_refine_diff_density_rms         0.129
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.003(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     789
_refine_ls_number_reflns         13142
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0408
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0297P)²+7.4929P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0802
_refine_ls_wR_factor_ref         0.1006
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.997(7)
 0.003(7)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Ternary CH refined with riding coordinates:
 C58(H58), C63(H63)
3.b Secondary CH2 refined with riding coordinates:
 C59(H59A,H59B), C67(H67A,H67B), C11(H11A,H11B), C64(H64A,H64B), C62(H62A,
 H62B), C10(H10A,H10B), C66(H66A,H66B), C60(H60A,H60B), C65(H65A,H65B),
 C61(H61A,H61B)
3.c Aromatic/amide H refined with riding coordinates:
 C35(H35), C5(H5), C25(H25), C29(H29), C4(H4), C31(H31), C9(H9), C2(H2),
 C54(H54), C26(H26), C52(H52), C32(H32), C33(H33), C22(H22), C23(H23), C34(H34),
  C40(H40), C21(H21), C19(H19), C46(H46), C6(H6), C13(H13), C53(H53), C38(H38),
 C28(H28), C1(H1), C14(H14), C45(H45), C17(H17), C27(H27), C44(H44), C39(H39),
 C20(H20), C7(H7), C16(H16), C15(H15)
3.d Idealised Me refined as rotating group:
 C57(H57A,H57B,H57C), C56(H56A,H56B,H56C), C49(H49A,H49B,H49C), C48(H48A,H48B,
 H48C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.46991(3) 0.50578(2) 0.38856(2) 0.03084(11) Uani 1 1 d . . . . .
Rh1 Rh 0.64149(6) 0.57499(5) 0.36637(3) 0.0280(2) Uani 1 1 d . . . . .
P3 P 0.3683(2) 0.41228(15) 0.42066(9) 0.0282(6) Uani 1 1 d . . . . .
P2 P 0.5723(2) 0.61381(16) 0.30371(10) 0.0305(6) Uani 1 1 d . . . . .
P1 P 0.5667(2) 0.68105(15) 0.39402(11) 0.0317(7) Uani 1 1 d . . . . .
S2 S 0.8621(3) 0.1389(2) 0.33935(11) 0.0552(9) Uani 1 1 d . . . . .
S1 S 0.7738(3) 0.2616(2) 0.29476(13) 0.0589(10) Uani 1 1 d . . . . .
F6 F 0.8522(6) 0.0050(5) 0.2988(3) 0.072(2) Uani 1 1 d . . . . .
O1 O 0.7577(9) 0.2992(6) 0.3355(4) 0.082(4) Uani 1 1 d . . . . .
C35 C 0.5143(10) 0.4650(6) 0.2752(4) 0.037(3) Uani 1 1 d . . . . .
H35 H 0.552598 0.446191 0.299149 0.045 Uiso 1 1 calc R U . . .
C30 C 0.5003(8) 0.5454(6) 0.2696(4) 0.033(3) Uani 1 1 d . . . . .
F4 F 0.9777(7) 0.0761(6) 0.2794(3) 0.088(3) Uani 1 1 d . . . . .
C18 C 0.6460(8) 0.7687(6) 0.3935(4) 0.032(2) Uani 1 1 d . . . . .
C24 C 0.6687(9) 0.6463(6) 0.2646(4) 0.034(3) Uani 1 1 d . . . . .
O4 O 0.7895(8) 0.1052(6) 0.3684(3) 0.065(3) Uani 1 1 d . . . . .
C5 C 0.9434(9) 0.6631(7) 0.3801(5) 0.054(4) Uani 1 1 d . . . . .
H5 H 0.987870 0.703295 0.389872 0.065 Uiso 1 1 calc R U . . .
C58 C 0.4054(8) 0.4112(6) 0.4778(3) 0.030(3) Uani 1 1 d . . . . .
H58 H 0.370315 0.366354 0.492279 0.036 Uiso 1 1 calc R U . . .
C25 C 0.7071(10) 0.7238(7) 0.2649(4) 0.040(3) Uani 1 1 d . . . . .
H25 H 0.680016 0.761349 0.284398 0.048 Uiso 1 1 calc R U . . .
O2 O 0.6984(9) 0.2685(6) 0.2609(4) 0.080(4) Uani 1 1 d . . . . .
O3 O 0.9459(9) 0.1825(6) 0.3578(4) 0.088(4) Uani 1 1 d . . . . .
C55 C 0.2232(9) 0.5455(7) 0.3319(4) 0.043(3) Uani 1 1 d . . . . .
F5 F 0.9807(7) 0.0179(6) 0.3410(3) 0.095(3) Uani 1 1 d . . . . .
C12 C 0.5186(10) 0.6841(6) 0.4493(4) 0.038(3) Uani 1 1 d . . . . .
F2 F 0.8543(9) 0.3855(5) 0.2596(3) 0.101(3) Uani 1 1 d . . . . .
C29 C 0.7090(9) 0.5932(7) 0.2354(4) 0.044(3) Uani 1 1 d . . . . .
H29 H 0.683114 0.541364 0.234580 0.053 Uiso 1 1 calc R U . . .
C3 C 0.8150(8) 0.5690(6) 0.3945(4) 0.032(2) Uani 1 1 d . . . . .
C59 C 0.3779(9) 0.4864(8) 0.5018(3) 0.043(3) Uani 1 1 d . . . . .
H59A H 0.396144 0.533150 0.484570 0.052 Uiso 1 1 calc R U . . .
H59B H 0.304099 0.488202 0.508692 0.052 Uiso 1 1 calc R U . . .
C47 C 0.2129(9) 0.2972(7) 0.5114(4) 0.041(3) Uani 1 1 d . . . . .
C42 C 0.2138(9) 0.2787(6) 0.4666(4) 0.035(3) Uani 1 1 d . . . . .
C63 C 0.4051(8) 0.3168(6) 0.3980(3) 0.029(2) Uani 1 1 d . . . . .
H63 H 0.361397 0.276289 0.412247 0.035 Uiso 1 1 calc R U . . .
C4 C 0.8791(9) 0.6288(7) 0.4090(4) 0.046(3) Uani 1 1 d . . . . .
H4 H 0.877892 0.645203 0.438341 0.056 Uiso 1 1 calc R U . . .
C31 C 0.4444(9) 0.5729(7) 0.2347(4) 0.038(3) Uani 1 1 d . . . . .
H31 H 0.435701 0.627459 0.230379 0.046 Uiso 1 1 calc R U . . .
C41 C 0.1692(8) 0.4598(6) 0.3944(4) 0.038(3) Uani 1 1 d . . . . .
C9 C 0.7462(8) 0.4800(6) 0.3454(4) 0.041(3) Uani 1 1 d . . . . .
H9 H 0.728540 0.454893 0.319081 0.049 Uiso 1 1 calc R U . . .
C67 C 0.3865(10) 0.3110(7) 0.3492(4) 0.045(3) Uani 1 1 d . . . . .
H67A H 0.407486 0.359855 0.334503 0.055 Uiso 1 1 calc R U . . .
H67B H 0.313371 0.301340 0.343042 0.055 Uiso 1 1 calc R U . . .
C2 C 0.7415(8) 0.5192(7) 0.4162(4) 0.042(3) Uani 1 1 d . . . . .
H2 H 0.719612 0.524952 0.445333 0.051 Uiso 1 1 calc R U . . .
F1 F 0.9595(9) 0.3201(6) 0.2985(3) 0.104(3) Uani 1 1 d . . . . .
C54 C 0.2313(9) 0.6206(8) 0.3149(5) 0.052(4) Uani 1 1 d . . . . .
H54 H 0.245483 0.626549 0.284989 0.062 Uiso 1 1 calc R U . . .
F3 F 0.9170(8) 0.2791(6) 0.2365(3) 0.096(3) Uani 1 1 d . . . . .
C26 C 0.7845(10) 0.7442(8) 0.2366(4) 0.047(3) Uani 1 1 d . . . . .
H26 H 0.809928 0.796184 0.236676 0.057 Uiso 1 1 calc R U . . .
N1 N 0.8091(10) 0.1755(6) 0.2982(4) 0.064(4) Uani 1 1 d . . . . .
C52 C 0.2013(9) 0.6772(8) 0.3821(5) 0.052(4) Uani 1 1 d . . . . .
H52 H 0.194394 0.723041 0.399140 0.062 Uiso 1 1 calc R U . . .
C11 C 0.4901(8) 0.7001(6) 0.3121(3) 0.032(3) Uani 1 1 d . . . . .
H11A H 0.527222 0.747860 0.303271 0.039 Uiso 1 1 calc R U . . .
H11B H 0.428186 0.695472 0.293926 0.039 Uiso 1 1 calc R U . . .
C32 C 0.4011(9) 0.5195(7) 0.2059(4) 0.045(3) Uani 1 1 d . . . . .
H32 H 0.361249 0.537722 0.182283 0.054 Uiso 1 1 calc R U . . .
C33 C 0.4161(10) 0.4401(8) 0.2117(4) 0.050(3) Uani 1 1 d . . . . .
H33 H 0.387385 0.403982 0.191741 0.060 Uiso 1 1 calc R U . . .
C64 C 0.5162(10) 0.2891(7) 0.4016(5) 0.053(4) Uani 1 1 d . . . . .
H64A H 0.564252 0.330446 0.392202 0.064 Uiso 1 1 calc R U . . .
H64B H 0.532996 0.273537 0.431628 0.064 Uiso 1 1 calc R U . . .
C22 C 0.7916(10) 0.8385(7) 0.3649(5) 0.049(3) Uani 1 1 d . . . . .
H22 H 0.852070 0.838857 0.347966 0.059 Uiso 1 1 calc R U . . .
C62 C 0.5221(10) 0.4045(7) 0.4864(4) 0.047(3) Uani 1 1 d . . . . .
H62A H 0.542417 0.349074 0.489451 0.056 Uiso 1 1 calc R U . . .
H62B H 0.561226 0.427921 0.462222 0.056 Uiso 1 1 calc R U . . .
C10 C 0.4587(8) 0.7068(6) 0.3601(3) 0.033(2) Uani 1 1 d . . . . .
H10A H 0.400740 0.671325 0.366141 0.039 Uiso 1 1 calc R U . . .
H10B H 0.436680 0.761017 0.366475 0.039 Uiso 1 1 calc R U . . .
C23 C 0.7337(9) 0.7703(6) 0.3685(4) 0.042(3) Uani 1 1 d . . . . .
H23 H 0.754682 0.724420 0.353694 0.050 Uiso 1 1 calc R U . . .
C34 C 0.4725(12) 0.4131(7) 0.2461(4) 0.049(3) Uani 1 1 d . . . . .
H34 H 0.482620 0.358477 0.249827 0.059 Uiso 1 1 calc R U . . .
C40 C 0.0650(8) 0.4453(7) 0.3860(4) 0.048(3) Uani 1 1 d . . . . .
H40 H 0.027962 0.482351 0.369346 0.057 Uiso 1 1 calc R U . . .
C21 C 0.7607(10) 0.9051(7) 0.3859(5) 0.056(4) Uani 1 1 d . . . . .
H21 H 0.797653 0.952319 0.381991 0.067 Uiso 1 1 calc R U . . .
C19 C 0.6167(11) 0.8362(7) 0.4162(5) 0.054(4) Uani 1 1 d . . . . .
H19 H 0.557252 0.835899 0.433822 0.065 Uiso 1 1 calc R U . . .
C51 C 0.1919(9) 0.6037(8) 0.4025(5) 0.047(4) Uani 1 1 d . . . . .
C66 C 0.4521(12) 0.2417(8) 0.3337(4) 0.059(4) Uani 1 1 d . . . . .
H66A H 0.408128 0.197209 0.325186 0.071 Uiso 1 1 calc R U . . .
H66B H 0.494191 0.257159 0.308549 0.071 Uiso 1 1 calc R U . . .
C46 C 0.2551(10) 0.2422(9) 0.5398(5) 0.057(4) Uani 1 1 d . . . . .
H46 H 0.259081 0.254337 0.569706 0.068 Uiso 1 1 calc R U . . .
C57 C 0.2284(11) 0.4747(8) 0.3037(4) 0.061(4) Uani 1 1 d . . . . .
H57A H 0.159077 0.457957 0.296204 0.091 Uiso 1 1 calc R U . . .
H57B H 0.263291 0.432437 0.319227 0.091 Uiso 1 1 calc R U . . .
H57C H 0.266204 0.487216 0.277307 0.091 Uiso 1 1 calc R U . . .
C37 C 0.1718(8) 0.3382(7) 0.4357(4) 0.035(3) Uani 1 1 d . . . . .
C50 C 0.2027(9) 0.5369(6) 0.3771(4) 0.035(3) Uani 1 1 d . . . . .
C60 C 0.4414(10) 0.4814(8) 0.5424(4) 0.057(4) Uani 1 1 d . . . . .
H60A H 0.450163 0.533737 0.555497 0.069 Uiso 1 1 calc R U . . .
H60B H 0.408765 0.446377 0.563796 0.069 Uiso 1 1 calc R U . . .
C6 C 0.9461(10) 0.6413(8) 0.3369(5) 0.058(4) Uani 1 1 d . . . . .
H6 H 0.991583 0.666969 0.317657 0.069 Uiso 1 1 calc R U . . .
C13 C 0.5836(12) 0.6722(9) 0.4829(4) 0.062(4) Uani 1 1 d . . . . .
H13 H 0.653328 0.660479 0.477431 0.074 Uiso 1 1 calc R U . . .
C53 C 0.2197(9) 0.6850(8) 0.3395(5) 0.052(4) Uani 1 1 d . . . . .
H53 H 0.224530 0.735565 0.326887 0.063 Uiso 1 1 calc R U . . .
C38 C 0.0687(9) 0.3282(8) 0.4253(4) 0.050(3) Uani 1 1 d . . . . .
H38 H 0.034047 0.283273 0.435821 0.060 Uiso 1 1 calc R U . . .
C28 C 0.7870(10) 0.6149(9) 0.2070(4) 0.055(4) Uani 1 1 d . . . . .
H28 H 0.813724 0.578203 0.186948 0.066 Uiso 1 1 calc R U . . .
C1 C 0.7079(9) 0.4610(6) 0.3874(5) 0.046(3) Uani 1 1 d . . . . .
H1 H 0.666973 0.416959 0.394504 0.056 Uiso 1 1 calc R U . . .
C56 C 0.1610(10) 0.5985(8) 0.4493(4) 0.056(4) Uani 1 1 d . . . . .
H56A H 0.096216 0.570087 0.451707 0.083 Uiso 1 1 calc R U . . .
H56B H 0.152727 0.651272 0.461159 0.083 Uiso 1 1 calc R U . . .
H56C H 0.213882 0.570667 0.465633 0.083 Uiso 1 1 calc R U . . .
C14 C 0.5490(14) 0.6772(10) 0.5249(5) 0.075(5) Uani 1 1 d . . . . .
H14 H 0.595378 0.669128 0.548050 0.090 Uiso 1 1 calc R U . . .
C45 C 0.2904(11) 0.1725(9) 0.5259(6) 0.066(5) Uani 1 1 d . . . . .
H45 H 0.321913 0.137433 0.545580 0.080 Uiso 1 1 calc R U . . .
C49 C 0.1639(11) 0.3696(8) 0.5281(5) 0.065(4) Uani 1 1 d . . . . .
H49A H 0.181040 0.413631 0.509103 0.098 Uiso 1 1 calc R U . . .
H49B H 0.188699 0.380415 0.557353 0.098 Uiso 1 1 calc R U . . .
H49C H 0.089650 0.362643 0.528705 0.098 Uiso 1 1 calc R U . . .
C8 C 0.8163(9) 0.5441(7) 0.3504(4) 0.038(3) Uani 1 1 d . . . . .
C17 C 0.4174(12) 0.7010(8) 0.4585(5) 0.060(4) Uani 1 1 d . . . . .
H17 H 0.371003 0.709758 0.435401 0.072 Uiso 1 1 calc R U . . .
C65 C 0.5192(10) 0.2193(7) 0.3713(4) 0.051(3) Uani 1 1 d . . . . .
H65A H 0.589862 0.208994 0.361409 0.061 Uiso 1 1 calc R U . . .
H65B H 0.492670 0.171865 0.385778 0.061 Uiso 1 1 calc R U . . .
C48 C 0.2236(11) 0.1768(8) 0.4063(4) 0.056(4) Uani 1 1 d . . . . .
H48A H 0.157735 0.149911 0.404119 0.084 Uiso 1 1 calc R U . . .
H48B H 0.278434 0.141025 0.397770 0.084 Uiso 1 1 calc R U . . .
H48C H 0.223667 0.222400 0.387062 0.084 Uiso 1 1 calc R U . . .
C27 C 0.8252(10) 0.6904(9) 0.2084(4) 0.056(4) Uani 1 1 d . . . . .
H27 H 0.879578 0.705104 0.189798 0.067 Uiso 1 1 calc R U . . .
C43 C 0.2403(10) 0.2032(7) 0.4521(4) 0.047(3) Uani 1 1 d . . . . .
C44 C 0.2802(10) 0.1518(8) 0.4821(5) 0.059(4) Uani 1 1 d . . . . .
H44 H 0.301349 0.101326 0.472924 0.071 Uiso 1 1 calc R U . . .
C39 C 0.0154(9) 0.3810(8) 0.4004(5) 0.060(4) Uani 1 1 d . . . . .
H39 H -0.054393 0.372444 0.393575 0.072 Uiso 1 1 calc R U . . .
C69 C 0.9219(11) 0.0555(9) 0.3130(5) 0.058(4) Uani 1 1 d . . . . .
C20 C 0.6764(12) 0.9040(7) 0.4127(5) 0.062(4) Uani 1 1 d . . . . .
H20 H 0.658733 0.949350 0.428774 0.075 Uiso 1 1 calc R U . . .
C7 C 0.8832(9) 0.5826(8) 0.3216(4) 0.045(3) Uani 1 1 d . . . . .
H7 H 0.885027 0.568181 0.291929 0.054 Uiso 1 1 calc R U . . .
C61 C 0.5418(13) 0.4490(11) 0.5282(6) 0.094(6) Uani 1 1 d . . . . .
H61A H 0.569870 0.413521 0.550474 0.113 Uiso 1 1 calc R U . . .
H61B H 0.591327 0.491850 0.523189 0.113 Uiso 1 1 calc R U . . .
C16 C 0.3826(13) 0.7053(9) 0.5005(5) 0.071(5) Uani 1 1 d . . . . .
H16 H 0.312854 0.716449 0.506311 0.085 Uiso 1 1 calc R U . . .
C68 C 0.8813(13) 0.3135(8) 0.2708(6) 0.067(4) Uani 1 1 d . . . . .
C36 C 0.2260(8) 0.4040(6) 0.4181(4) 0.030(3) Uani 1 1 d . . . . .
C15 C 0.4494(15) 0.6934(8) 0.5337(5) 0.075(5) Uani 1 1 d . . . . .
H15 H 0.426553 0.696346 0.562763 0.090 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Rh1 2.6312(9) . ?
Au1 P3 2.305(3) . ?
Rh1 P2 2.241(3) . ?
Rh1 P1 2.232(3) . ?
Rh1 C3 2.436(10) . ?
Rh1 C9 2.222(10) . ?
Rh1 C2 2.238(12) . ?
Rh1 C1 2.231(11) . ?
Rh1 C8 2.401(11) . ?
P3 C58 1.833(11) . ?
P3 C63 1.841(10) . ?
P3 C36 1.872(11) . ?
P2 C30 1.836(11) . ?
P2 C24 1.836(11) . ?
P2 C11 1.844(10) . ?
P1 C18 1.824(10) . ?
P1 C12 1.823(12) . ?
P1 C10 1.816(11) . ?
S2 O4 1.430(10) . ?
S2 O3 1.444(10) . ?
S2 N1 1.581(12) . ?
S2 C69 1.820(15) . ?
S1 O1 1.430(10) . ?
S1 O2 1.443(12) . ?
S1 N1 1.547(11) . ?
S1 C68 1.822(16) . ?
F6 C69 1.330(15) . ?
C35 H35 0.9500 . ?
C35 C30 1.398(14) . ?
C35 C34 1.379(15) . ?
C30 C31 1.387(15) . ?
F4 C69 1.319(15) . ?
C18 C23 1.384(16) . ?
C18 C19 1.405(15) . ?
C24 C25 1.418(16) . ?
C24 C29 1.384(16) . ?
C5 H5 0.9500 . ?
C5 C4 1.359(18) . ?
C5 C6 1.390(19) . ?
C58 H58 1.0000 . ?
C58 C59 1.529(15) . ?
C58 C62 1.556(15) . ?
C25 H25 0.9500 . ?
C25 C26 1.384(17) . ?
C55 C54 1.392(17) . ?
C55 C57 1.494(17) . ?
C55 C50 1.430(16) . ?
F5 C69 1.326(15) . ?
C12 C13 1.359(18) . ?
C12 C17 1.387(17) . ?
F2 C68 1.326(16) . ?
C29 H29 0.9500 . ?
C29 C28 1.397(17) . ?
C3 C4 1.398(16) . ?
C3 C2 1.449(15) . ?
C3 C8 1.430(16) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C59 C60 1.509(16) . ?
C47 C42 1.424(16) . ?
C47 C46 1.400(18) . ?
C47 C49 1.487(18) . ?
C42 C37 1.499(15) . ?
C42 C43 1.410(17) . ?
C63 H63 1.0000 . ?
C63 C67 1.535(15) . ?
C63 C64 1.535(15) . ?
C4 H4 0.9500 . ?
C31 H31 0.9500 . ?
C31 C32 1.396(16) . ?
C41 C40 1.412(15) . ?
C41 C50 1.488(14) . ?
C41 C36 1.415(15) . ?
C9 H9 0.9500 . ?
C9 C1 1.428(18) . ?
C9 C8 1.438(15) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C67 C66 1.540(17) . ?
C2 H2 0.9500 . ?
C2 C1 1.409(17) . ?
F1 C68 1.340(19) . ?
C54 H54 0.9500 . ?
C54 C53 1.348(19) . ?
F3 C68 1.300(17) . ?
C26 H26 0.9500 . ?
C26 C27 1.375(19) . ?
C52 H52 0.9500 . ?
C52 C51 1.411(17) . ?
C52 C53 1.346(19) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C10 1.545(15) . ?
C32 H32 0.9500 . ?
C32 C33 1.384(18) . ?
C33 H33 0.9500 . ?
C33 C34 1.376(17) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C65 1.521(15) . ?
C22 H22 0.9500 . ?
C22 C23 1.396(15) . ?
C22 C21 1.371(19) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C62 C61 1.523(17) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C23 H23 0.9500 . ?
C34 H34 0.9500 . ?
C40 H40 0.9500 . ?
C40 C39 1.353(17) . ?
C21 H21 0.9500 . ?
C21 C20 1.38(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.402(17) . ?
C51 C50 1.394(17) . ?
C51 C56 1.508(18) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66 C65 1.506(18) . ?
C46 H46 0.9500 . ?
C46 C45 1.35(2) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C37 C38 1.399(15) . ?
C37 C36 1.438(14) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C61 1.493(19) . ?
C6 H6 0.9500 . ?
C6 C7 1.382(18) . ?
C13 H13 0.9500 . ?
C13 C14 1.378(19) . ?
C53 H53 0.9500 . ?
C38 H38 0.9500 . ?
C38 C39 1.375(17) . ?
C28 H28 0.9500 . ?
C28 C27 1.385(19) . ?
C1 H1 0.9500 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C14 H14 0.9500 . ?
C14 C15 1.36(2) . ?
C45 H45 0.9500 . ?
C45 C44 1.41(2) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C8 C7 1.413(16) . ?
C17 H17 0.9500 . ?
C17 C16 1.380(19) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C48 C43 1.505(18) . ?
C27 H27 0.9500 . ?
C43 C44 1.380(17) . ?
C44 H44 0.9500 . ?
C39 H39 0.9500 . ?
C20 H20 0.9500 . ?
C7 H7 0.9500 . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C16 H16 0.9500 . ?
C16 C15 1.36(2) . ?
C15 H15 0.9500 . ?

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
P3 Au1 Rh1 156.56(7) . . ?
P2 Rh1 Au1 90.77(8) . . ?
P2 Rh1 C3 134.4(3) . . ?
P2 Rh1 C8 105.8(3) . . ?
P1 Rh1 Au1 83.72(8) . . ?
P1 Rh1 P2 85.01(11) . . ?
P1 Rh1 C3 107.9(3) . . ?
P1 Rh1 C2 109.8(3) . . ?
P1 Rh1 C8 132.6(3) . . ?
C3 Rh1 Au1 133.2(3) . . ?
C9 Rh1 Au1 105.9(3) . . ?
C9 Rh1 P2 102.4(4) . . ?
C9 Rh1 P1 167.6(3) . . ?
C9 Rh1 C3 59.9(4) . . ?
C9 Rh1 C2 61.8(5) . . ?
C9 Rh1 C1 37.4(5) . . ?
C9 Rh1 C8 36.0(4) . . ?
C2 Rh1 Au1 97.4(3) . . ?
C2 Rh1 P2 163.7(3) . . ?
C2 Rh1 C3 35.8(4) . . ?
C2 Rh1 C8 59.3(4) . . ?
C1 Rh1 Au1 82.2(3) . . ?
C1 Rh1 P2 131.9(4) . . ?
C1 Rh1 P1 140.3(4) . . ?
C1 Rh1 C3 59.7(4) . . ?
C1 Rh1 C2 36.7(5) . . ?
C1 Rh1 C8 59.7(4) . . ?
C8 Rh1 Au1 140.3(3) . . ?
C8 Rh1 C3 34.4(4) . . ?
C58 P3 Au1 105.6(4) . . ?
C58 P3 C63 106.8(5) . . ?
C58 P3 C36 107.7(5) . . ?
C63 P3 Au1 107.5(3) . . ?
C63 P3 C36 100.2(5) . . ?
C36 P3 Au1 127.6(3) . . ?
C30 P2 Rh1 121.1(4) . . ?
C30 P2 C24 99.6(5) . . ?
C30 P2 C11 106.9(5) . . ?
C24 P2 Rh1 112.4(4) . . ?
C24 P2 C11 104.7(5) . . ?
C11 P2 Rh1 110.6(4) . . ?
C18 P1 Rh1 114.5(4) . . ?
C12 P1 Rh1 122.3(4) . . ?
C12 P1 C18 100.5(5) . . ?
C10 P1 Rh1 108.5(3) . . ?
C10 P1 C18 103.8(5) . . ?
C10 P1 C12 105.4(5) . . ?
O4 S2 O3 117.7(7) . . ?
O4 S2 N1 111.9(7) . . ?
O4 S2 C69 104.5(6) . . ?
O3 S2 N1 116.7(7) . . ?
O3 S2 C69 104.8(7) . . ?
N1 S2 C69 97.9(7) . . ?
O1 S1 O2 120.1(8) . . ?
O1 S1 N1 114.3(7) . . ?
O1 S1 C68 104.7(7) . . ?
O2 S1 N1 109.3(7) . . ?
O2 S1 C68 101.2(8) . . ?
N1 S1 C68 105.1(7) . . ?
C30 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C30 120.0(12) . . ?
C35 C30 P2 119.2(9) . . ?
C31 C30 P2 120.2(9) . . ?
C31 C30 C35 120.0(11) . . ?
C23 C18 P1 119.6(8) . . ?
C23 C18 C19 119.3(10) . . ?
C19 C18 P1 121.0(9) . . ?
C25 C24 P2 121.4(9) . . ?
C29 C24 P2 119.6(9) . . ?
C29 C24 C25 118.9(11) . . ?
C4 C5 H5 118.9 . . ?
C4 C5 C6 122.2(12) . . ?
C6 C5 H5 118.9 . . ?
P3 C58 H58 108.6 . . ?
C59 C58 P3 113.4(7) . . ?
C59 C58 H58 108.6 . . ?
C59 C58 C62 102.1(9) . . ?
C62 C58 P3 115.2(8) . . ?
C62 C58 H58 108.6 . . ?
C24 C25 H25 120.3 . . ?
C26 C25 C24 119.4(12) . . ?
C26 C25 H25 120.3 . . ?
C54 C55 C57 121.5(12) . . ?
C54 C55 C50 118.6(12) . . ?
C50 C55 C57 119.7(11) . . ?
C13 C12 P1 119.8(10) . . ?
C13 C12 C17 118.2(13) . . ?
C17 C12 P1 121.9(11) . . ?
C24 C29 H29 119.5 . . ?
C24 C29 C28 120.9(12) . . ?
C28 C29 H29 119.5 . . ?
C4 C3 Rh1 130.1(7) . . ?
C4 C3 C2 132.9(12) . . ?
C4 C3 C8 121.1(11) . . ?
C2 C3 Rh1 64.6(6) . . ?
C8 C3 Rh1 71.5(6) . . ?
C8 C3 C2 106.0(10) . . ?
C58 C59 H59A 111.1 . . ?
C58 C59 H59B 111.1 . . ?
H59A C59 H59B 109.1 . . ?
C60 C59 C58 103.1(10) . . ?
C60 C59 H59A 111.1 . . ?
C60 C59 H59B 111.1 . . ?
C42 C47 C49 121.7(12) . . ?
C46 C47 C42 117.3(13) . . ?
C46 C47 C49 120.9(13) . . ?
C47 C42 C37 117.8(11) . . ?
C43 C42 C47 120.9(11) . . ?
C43 C42 C37 120.7(11) . . ?
P3 C63 H63 107.3 . . ?
C67 C63 P3 113.0(7) . . ?
C67 C63 H63 107.3 . . ?
C64 C63 P3 119.6(8) . . ?
C64 C63 H63 107.3 . . ?
C64 C63 C67 101.7(10) . . ?
C5 C4 C3 118.5(12) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
C30 C31 H31 120.3 . . ?
C30 C31 C32 119.4(11) . . ?
C32 C31 H31 120.3 . . ?
C40 C41 C50 112.0(10) . . ?
C40 C41 C36 119.0(11) . . ?
C36 C41 C50 129.0(10) . . ?
Rh1 C9 H9 115.5 . . ?
C1 C9 Rh1 71.6(6) . . ?
C1 C9 H9 126.2 . . ?
C1 C9 C8 107.5(11) . . ?
C8 C9 Rh1 78.8(6) . . ?
C8 C9 H9 126.2 . . ?
C63 C67 H67A 110.6 . . ?
C63 C67 H67B 110.6 . . ?
C63 C67 C66 105.5(10) . . ?
H67A C67 H67B 108.8 . . ?
C66 C67 H67A 110.6 . . ?
C66 C67 H67B 110.6 . . ?
Rh1 C2 H2 115.6 . . ?
C3 C2 Rh1 79.6(6) . . ?
C3 C2 H2 125.4 . . ?
C1 C2 Rh1 71.4(7) . . ?
C1 C2 C3 109.2(11) . . ?
C1 C2 H2 125.4 . . ?
C55 C54 H54 118.9 . . ?
C53 C54 C55 122.2(13) . . ?
C53 C54 H54 118.9 . . ?
C25 C26 H26 119.4 . . ?
C27 C26 C25 121.1(12) . . ?
C27 C26 H26 119.4 . . ?
S1 N1 S2 124.3(7) . . ?
C51 C52 H52 118.6 . . ?
C53 C52 H52 118.6 . . ?
C53 C52 C51 122.9(13) . . ?
P2 C11 H11A 109.5 . . ?
P2 C11 H11B 109.5 . . ?
H11A C11 H11B 108.1 . . ?
C10 C11 P2 110.6(7) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.1(12) . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 119.8 . . ?
C34 C33 C32 120.4(12) . . ?
C34 C33 H33 119.8 . . ?
C63 C64 H64A 111.2 . . ?
C63 C64 H64B 111.2 . . ?
H64A C64 H64B 109.1 . . ?
C65 C64 C63 102.8(10) . . ?
C65 C64 H64A 111.2 . . ?
C65 C64 H64B 111.2 . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.7(13) . . ?
C58 C62 H62A 110.5 . . ?
C58 C62 H62B 110.5 . . ?
H62A C62 H62B 108.7 . . ?
C61 C62 C58 106.0(11) . . ?
C61 C62 H62A 110.5 . . ?
C61 C62 H62B 110.5 . . ?
P1 C10 H10A 109.8 . . ?
P1 C10 H10B 109.8 . . ?
C11 C10 P1 109.3(7) . . ?
C11 C10 H10A 109.8 . . ?
C11 C10 H10B 109.8 . . ?
H10A C10 H10B 108.3 . . ?
C18 C23 C22 120.8(12) . . ?
C18 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C35 C34 H34 119.9 . . ?
C33 C34 C35 120.2(11) . . ?
C33 C34 H34 119.9 . . ?
C41 C40 H40 118.5 . . ?
C39 C40 C41 123.1(12) . . ?
C39 C40 H40 118.5 . . ?
C22 C21 H21 119.7 . . ?
C22 C21 C20 120.6(11) . . ?
C20 C21 H21 119.7 . . ?
C18 C19 H19 120.4 . . ?
C20 C19 C18 119.2(13) . . ?
C20 C19 H19 120.4 . . ?
C52 C51 C56 120.4(13) . . ?
C50 C51 C52 118.0(12) . . ?
C50 C51 C56 121.3(11) . . ?
C67 C66 H66A 110.4 . . ?
C67 C66 H66B 110.4 . . ?
H66A C66 H66B 108.6 . . ?
C65 C66 C67 106.4(10) . . ?
C65 C66 H66A 110.4 . . ?
C65 C66 H66B 110.4 . . ?
C47 C46 H46 119.0 . . ?
C45 C46 C47 121.9(14) . . ?
C45 C46 H46 119.0 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C38 C37 C42 114.7(10) . . ?
C38 C37 C36 119.0(10) . . ?
C36 C37 C42 126.2(10) . . ?
C55 C50 C41 119.9(11) . . ?
C51 C50 C55 119.0(11) . . ?
C51 C50 C41 119.5(10) . . ?
C59 C60 H60A 110.7 . . ?
C59 C60 H60B 110.7 . . ?
H60A C60 H60B 108.8 . . ?
C61 C60 C59 105.2(11) . . ?
C61 C60 H60A 110.7 . . ?
C61 C60 H60B 110.7 . . ?
C5 C6 H6 119.7 . . ?
C7 C6 C5 120.7(13) . . ?
C7 C6 H6 119.7 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.4(15) . . ?
C14 C13 H13 119.8 . . ?
C54 C53 H53 120.3 . . ?
C52 C53 C54 119.4(13) . . ?
C52 C53 H53 120.3 . . ?
C37 C38 H38 118.7 . . ?
C39 C38 C37 122.6(12) . . ?
C39 C38 H38 118.7 . . ?
C29 C28 H28 120.3 . . ?
C27 C28 C29 119.5(14) . . ?
C27 C28 H28 120.3 . . ?
Rh1 C1 H1 122.7 . . ?
C9 C1 Rh1 70.9(6) . . ?
C9 C1 H1 126.1 . . ?
C2 C1 Rh1 71.9(6) . . ?
C2 C1 C9 107.8(10) . . ?
C2 C1 H1 126.1 . . ?
C51 C56 H56A 109.5 . . ?
C51 C56 H56B 109.5 . . ?
C51 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C13 C14 H14 119.5 . . ?
C15 C14 C13 121.1(16) . . ?
C15 C14 H14 119.5 . . ?
C46 C45 H45 120.1 . . ?
C46 C45 C44 119.8(13) . . ?
C44 C45 H45 120.1 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C3 C8 Rh1 74.1(6) . . ?
C3 C8 C9 108.7(10) . . ?
C9 C8 Rh1 65.2(6) . . ?
C7 C8 Rh1 128.3(8) . . ?
C7 C8 C3 118.1(12) . . ?
C7 C8 C9 133.1(12) . . ?
C12 C17 H17 119.3 . . ?
C16 C17 C12 121.4(15) . . ?
C16 C17 H17 119.3 . . ?
C64 C65 H65A 110.7 . . ?
C64 C65 H65B 110.7 . . ?
C66 C65 C64 105.2(10) . . ?
C66 C65 H65A 110.7 . . ?
C66 C65 H65B 110.7 . . ?
H65A C65 H65B 108.8 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C43 C48 H48A 109.5 . . ?
C43 C48 H48B 109.5 . . ?
C43 C48 H48C 109.5 . . ?
C26 C27 C28 120.2(13) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C42 C43 C48 122.5(12) . . ?
C44 C43 C42 117.6(13) . . ?
C44 C43 C48 119.9(13) . . ?
C45 C44 H44 119.2 . . ?
C43 C44 C45 121.5(14) . . ?
C43 C44 H44 119.2 . . ?
C40 C39 C38 118.3(11) . . ?
C40 C39 H39 120.8 . . ?
C38 C39 H39 120.8 . . ?
F6 C69 S2 111.2(9) . . ?
F4 C69 S2 112.5(10) . . ?
F4 C69 F6 107.1(12) . . ?
F4 C69 F5 108.8(12) . . ?
F5 C69 S2 109.7(11) . . ?
F5 C69 F6 107.4(12) . . ?
C21 C20 C19 120.2(13) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C6 C7 C8 119.4(12) . . ?
C6 C7 H7 120.3 . . ?
C8 C7 H7 120.3 . . ?
C62 C61 H61A 110.4 . . ?
C62 C61 H61B 110.4 . . ?
C60 C61 C62 106.6(12) . . ?
C60 C61 H61A 110.4 . . ?
C60 C61 H61B 110.4 . . ?
H61A C61 H61B 108.6 . . ?
C17 C16 H16 120.4 . . ?
C15 C16 C17 119.2(16) . . ?
C15 C16 H16 120.4 . . ?
F2 C68 S1 110.7(12) . . ?
F2 C68 F1 107.0(13) . . ?
F1 C68 S1 111.8(11) . . ?
F3 C68 S1 112.9(11) . . ?
F3 C68 F2 107.7(14) . . ?
F3 C68 F1 106.5(14) . . ?
C41 C36 P3 119.6(8) . . ?
C41 C36 C37 117.7(10) . . ?
C37 C36 P3 122.4(8) . . ?
C14 C15 C16 119.7(15) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?

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
Au1 P3 C58 C59 67.0(8) . . . . ?
Au1 P3 C58 C62 -50.2(9) . . . . ?
Au1 P3 C63 C67 -62.5(9) . . . . ?
Au1 P3 C63 C64 57.1(10) . . . . ?
Au1 P3 C36 C41 -0.3(12) . . . . ?
Au1 P3 C36 C37 173.2(8) . . . . ?
Rh1 P2 C30 C35 -19.7(12) . . . . ?
Rh1 P2 C30 C31 169.7(8) . . . . ?
Rh1 P2 C24 C25 -84.7(10) . . . . ?
Rh1 P2 C24 C29 92.0(10) . . . . ?
Rh1 P2 C11 C10 -19.8(8) . . . . ?
Rh1 P1 C18 C23 14.3(11) . . . . ?
Rh1 P1 C18 C19 -169.0(9) . . . . ?
Rh1 P1 C12 C13 59.9(11) . . . . ?
Rh1 P1 C12 C17 -122.5(10) . . . . ?
Rh1 P1 C10 C11 -43.3(8) . . . . ?
Rh1 C3 C4 C5 -91.4(14) . . . . ?
Rh1 C3 C2 C1 65.9(8) . . . . ?
Rh1 C3 C8 C9 -56.2(7) . . . . ?
Rh1 C3 C8 C7 125.3(10) . . . . ?
Rh1 C9 C1 C2 -62.9(8) . . . . ?
Rh1 C9 C8 C3 61.7(8) . . . . ?
Rh1 C9 C8 C7 -120.1(13) . . . . ?
Rh1 C2 C1 C9 62.3(8) . . . . ?
Rh1 C8 C7 C6 92.8(14) . . . . ?
P3 C58 C59 C60 -164.0(8) . . . . ?
P3 C58 C62 C61 148.5(11) . . . . ?
P3 C63 C67 C66 161.7(9) . . . . ?
P3 C63 C64 C65 -168.0(8) . . . . ?
P2 C30 C31 C32 171.8(9) . . . . ?
P2 C24 C25 C26 175.9(10) . . . . ?
P2 C24 C29 C28 -175.9(10) . . . . ?
P2 C11 C10 P1 39.4(9) . . . . ?
P1 C18 C23 C22 175.1(9) . . . . ?
P1 C18 C19 C20 -175.8(11) . . . . ?
P1 C12 C13 C14 177.6(12) . . . . ?
P1 C12 C17 C16 -178.1(11) . . . . ?
O1 S1 N1 S2 -21.7(14) . . . . ?
O1 S1 C68 F2 -69.6(14) . . . . ?
O1 S1 C68 F1 49.6(13) . . . . ?
O1 S1 C68 F3 169.6(12) . . . . ?
C35 C30 C31 C32 1.2(18) . . . . ?
C30 P2 C24 C25 145.7(10) . . . . ?
C30 P2 C24 C29 -37.6(11) . . . . ?
C30 P2 C11 C10 113.8(8) . . . . ?
C30 C35 C34 C33 -1(2) . . . . ?
C30 C31 C32 C33 -1.6(19) . . . . ?
C18 P1 C12 C13 -68.1(11) . . . . ?
C18 P1 C12 C17 109.5(11) . . . . ?
C18 P1 C10 C11 78.9(8) . . . . ?
C18 C19 C20 C21 2(2) . . . . ?
C24 P2 C30 C35 104.0(11) . . . . ?
C24 P2 C30 C31 -66.7(10) . . . . ?
C24 P2 C11 C10 -141.1(8) . . . . ?
C24 C25 C26 C27 0(2) . . . . ?
C24 C29 C28 C27 0(2) . . . . ?
O4 S2 N1 S1 91.3(11) . . . . ?
O4 S2 C69 F6 48.1(12) . . . . ?
O4 S2 C69 F4 168.3(10) . . . . ?
O4 S2 C69 F5 -70.5(11) . . . . ?
C5 C6 C7 C8 -0.5(18) . . . . ?
C58 P3 C63 C67 -175.5(8) . . . . ?
C58 P3 C63 C64 -55.9(10) . . . . ?
C58 P3 C36 C41 126.7(9) . . . . ?
C58 P3 C36 C37 -59.8(11) . . . . ?
C58 C59 C60 C61 39.8(14) . . . . ?
C58 C62 C61 C60 -1.3(17) . . . . ?
C25 C24 C29 C28 0.9(18) . . . . ?
C25 C26 C27 C28 2(2) . . . . ?
O2 S1 N1 S2 -159.6(10) . . . . ?
O2 S1 C68 F2 55.9(13) . . . . ?
O2 S1 C68 F1 175.1(11) . . . . ?
O2 S1 C68 F3 -64.9(14) . . . . ?
O3 S2 N1 S1 -48.4(13) . . . . ?
O3 S2 C69 F6 172.6(10) . . . . ?
O3 S2 C69 F4 -67.3(12) . . . . ?
O3 S2 C69 F5 53.9(11) . . . . ?
C55 C54 C53 C52 1(2) . . . . ?
C12 P1 C18 C23 147.3(10) . . . . ?
C12 P1 C18 C19 -36.1(12) . . . . ?
C12 P1 C10 C11 -175.9(7) . . . . ?
C12 C13 C14 C15 0(3) . . . . ?
C12 C17 C16 C15 1(2) . . . . ?
C29 C24 C25 C26 -0.9(18) . . . . ?
C29 C28 C27 C26 -2(2) . . . . ?
C3 C2 C1 Rh1 -71.3(8) . . . . ?
C3 C2 C1 C9 -9.1(13) . . . . ?
C3 C8 C7 C6 1.2(16) . . . . ?
C59 C58 C62 C61 25.1(14) . . . . ?
C59 C60 C61 C62 -23.7(18) . . . . ?
C47 C42 C37 C38 -93.4(14) . . . . ?
C47 C42 C37 C36 83.9(15) . . . . ?
C47 C42 C43 C48 168.3(11) . . . . ?
C47 C42 C43 C44 -9.7(17) . . . . ?
C47 C46 C45 C44 -3(2) . . . . ?
C42 C47 C46 C45 -3.6(18) . . . . ?
C42 C37 C38 C39 174.4(13) . . . . ?
C42 C37 C36 P3 15.3(17) . . . . ?
C42 C37 C36 C41 -171.1(11) . . . . ?
C42 C43 C44 C45 2.6(19) . . . . ?
C63 P3 C58 C59 -178.8(8) . . . . ?
C63 P3 C58 C62 64.0(10) . . . . ?
C63 P3 C36 C41 -121.9(10) . . . . ?
C63 P3 C36 C37 51.6(10) . . . . ?
C63 C67 C66 C65 -9.7(14) . . . . ?
C63 C64 C65 C66 37.6(14) . . . . ?
C4 C5 C6 C7 -0.6(19) . . . . ?
C4 C3 C2 Rh1 122.2(12) . . . . ?
C4 C3 C2 C1 -171.9(11) . . . . ?
C4 C3 C8 Rh1 -126.3(10) . . . . ?
C4 C3 C8 C9 177.5(9) . . . . ?
C4 C3 C8 C7 -0.9(16) . . . . ?
C31 C32 C33 C34 1(2) . . . . ?
C41 C40 C39 C38 1(2) . . . . ?
C9 C8 C7 C6 -176.8(12) . . . . ?
C67 C63 C64 C65 -42.8(12) . . . . ?
C67 C66 C65 C64 -17.2(15) . . . . ?
C2 C3 C4 C5 177.6(11) . . . . ?
C2 C3 C8 Rh1 55.5(7) . . . . ?
C2 C3 C8 C9 -0.7(11) . . . . ?
C2 C3 C8 C7 -179.2(10) . . . . ?
C54 C55 C50 C41 165.4(11) . . . . ?
C54 C55 C50 C51 -0.2(18) . . . . ?
N1 S2 C69 F6 -67.1(11) . . . . ?
N1 S2 C69 F4 53.1(12) . . . . ?
N1 S2 C69 F5 174.3(10) . . . . ?
N1 S1 C68 F2 169.7(12) . . . . ?
N1 S1 C68 F1 -71.2(13) . . . . ?
N1 S1 C68 F3 48.9(14) . . . . ?
C52 C51 C50 C55 0.3(17) . . . . ?
C52 C51 C50 C41 -165.4(11) . . . . ?
C11 P2 C30 C35 -147.4(10) . . . . ?
C11 P2 C30 C31 42.0(11) . . . . ?
C11 P2 C24 C25 35.3(11) . . . . ?
C11 P2 C24 C29 -148.0(10) . . . . ?
C32 C33 C34 C35 0(2) . . . . ?
C64 C63 C67 C66 32.3(12) . . . . ?
C22 C21 C20 C19 -5(2) . . . . ?
C62 C58 C59 C60 -39.4(11) . . . . ?
C10 P1 C18 C23 -103.8(9) . . . . ?
C10 P1 C18 C19 72.9(12) . . . . ?
C10 P1 C12 C13 -175.8(10) . . . . ?
C10 P1 C12 C17 1.9(12) . . . . ?
C23 C18 C19 C20 1(2) . . . . ?
C23 C22 C21 C20 4(2) . . . . ?
C34 C35 C30 P2 -170.8(10) . . . . ?
C34 C35 C30 C31 0(2) . . . . ?
C40 C41 C50 C55 -77.9(13) . . . . ?
C40 C41 C50 C51 87.6(15) . . . . ?
C40 C41 C36 P3 168.3(10) . . . . ?
C40 C41 C36 C37 -5.5(17) . . . . ?
C21 C22 C23 C18 -0.7(19) . . . . ?
C19 C18 C23 C22 -1.7(18) . . . . ?
C51 C52 C53 C54 -1(2) . . . . ?
C46 C47 C42 C37 -178.1(10) . . . . ?
C46 C47 C42 C43 10.3(16) . . . . ?
C46 C45 C44 C43 4(2) . . . . ?
C57 C55 C54 C53 175.3(12) . . . . ?
C57 C55 C50 C41 -10.5(17) . . . . ?
C57 C55 C50 C51 -176.1(11) . . . . ?
C37 C42 C43 C48 -3.1(17) . . . . ?
C37 C42 C43 C44 178.9(11) . . . . ?
C37 C38 C39 C40 -1(2) . . . . ?
C50 C55 C54 C53 -0.5(19) . . . . ?
C50 C41 C40 C39 -176.5(13) . . . . ?
C50 C41 C36 P3 -13.7(17) . . . . ?
C50 C41 C36 C37 172.5(11) . . . . ?
C6 C5 C4 C3 0.9(19) . . . . ?
C13 C12 C17 C16 0(2) . . . . ?
C13 C14 C15 C16 0(3) . . . . ?
C53 C52 C51 C50 0.3(19) . . . . ?
C53 C52 C51 C56 -173.9(12) . . . . ?
C38 C37 C36 P3 -167.5(10) . . . . ?
C38 C37 C36 C41 6.1(17) . . . . ?
C1 C9 C8 Rh1 -66.5(7) . . . . ?
C1 C9 C8 C3 -4.8(12) . . . . ?
C1 C9 C8 C7 173.4(12) . . . . ?
C56 C51 C50 C55 174.5(11) . . . . ?
C56 C51 C50 C41 8.8(18) . . . . ?
C49 C47 C42 C37 5.4(16) . . . . ?
C49 C47 C42 C43 -166.3(11) . . . . ?
C49 C47 C46 C45 173.0(13) . . . . ?
C8 C3 C4 C5 -0.1(17) . . . . ?
C8 C3 C2 Rh1 -59.9(7) . . . . ?
C8 C3 C2 C1 6.1(12) . . . . ?
C8 C9 C1 Rh1 71.4(7) . . . . ?
C8 C9 C1 C2 8.5(12) . . . . ?
C17 C12 C13 C14 0(2) . . . . ?
C17 C16 C15 C14 0(2) . . . . ?
C48 C43 C44 C45 -175.5(12) . . . . ?
C43 C42 C37 C38 78.2(15) . . . . ?
C43 C42 C37 C36 -104.5(14) . . . . ?
C69 S2 N1 S1 -159.4(10) . . . . ?
C68 S1 N1 S2 92.5(12) . . . . ?
C36 P3 C58 C59 -71.9(9) . . . . ?
C36 P3 C58 C62 170.9(8) . . . . ?
C36 P3 C63 C67 72.4(9) . . . . ?
C36 P3 C63 C64 -168.0(9) . . . . ?
C36 C41 C40 C39 2(2) . . . . ?
C36 C41 C50 C55 104.0(16) . . . . ?
C36 C41 C50 C51 -90.5(15) . . . . ?
C36 C37 C38 C39 -3(2) . . . . ?
# SQUEEZE RESULTS (Version = 190222)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.184 1.061 -0.096 215 62 '1 toluene '
2 -0.184 0.561 0.596 215 62 ' '
3 0.316 0.939 0.404 214 62 ' '
4 0.684 0.439 0.096 214 62 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?

