#------------------------------------------------------------------------------
#$Date: 2025-10-16 04:55:02 +0300 (Thu, 16 Oct 2025) $
#$Revision: 302906 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/40/7064054.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7064054
loop_
_publ_author_name
'Atencio, Anyie P.'
'Sevillano, Alba'
'Lázaro, Ariadna'
'Frexia, Zoraida'
'Aguilà, David'
'Angurell, Inmaculada'
'Rodriguez, Laura'
_publ_section_title
;
 Structural and Photophysical Features of Triphenylene--Gold(I) Phosphane
 Complexes
;
_journal_name_full               'New Journal of Chemistry'
_journal_paper_doi               10.1039/D5NJ03389F
_journal_year                    2025
_chemical_formula_moiety         'C38 H26 Au P, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C38.5 H27 Au Cl P'
_chemical_formula_weight         752.99
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2025-08-22
_audit_creation_method
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2025-08-22 deposited with the CCDC.	2025-09-29 downloaded from the CCDC.
;
_cell_angle_alpha                106.545(3)
_cell_angle_beta                 96.139(2)
_cell_angle_gamma                91.231(2)
_cell_formula_units_Z            4
_cell_length_a                   9.6281(7)
_cell_length_b                   17.4341(16)
_cell_length_c                   18.5119(19)
_cell_measurement_reflns_used    6680
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.87
_cell_measurement_theta_min      2.37
_cell_volume                     2957.2(5)
_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)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.930
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measurement_device_type  MD2M-Maatel
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.72932
_diffrn_reflns_av_R_equivalents  0.0708
_diffrn_reflns_av_unetI/netI     0.0666
_diffrn_reflns_Laue_measured_fraction_full 0.930
_diffrn_reflns_Laue_measured_fraction_max 0.920
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36089
_diffrn_reflns_point_group_measured_fraction_full 0.930
_diffrn_reflns_point_group_measured_fraction_max 0.920
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.756
_diffrn_reflns_theta_min         1.186
_diffrn_source                   'XALOC Beamline ALBA Cells'
_diffrn_source_current           0.0
_diffrn_source_power             0.0
_diffrn_source_voltage           0.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.507
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6340
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1650 before and 0.0574 after correction.
The Ratio of minimum to maximum transmission is 0.8502.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_description       plate
_exptl_crystal_F_000             1476
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.662
_refine_diff_density_min         -1.166
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         10726
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0439
_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)+(0.0515P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1020
_refine_ls_wR_factor_ref         0.1076
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8025
_reflns_number_total             10726
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nj03389f2.cif
_cod_data_source_block           aupph3_0m
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C38.50 H27 Au Cl P'
_cod_database_code               7064054
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.734
_shelx_estimated_absorpt_t_min   0.609
_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:
 C77(H77A,H77B)
2.b Aromatic/amide H refined with riding coordinates:
 C49(H49), C4(H4), C7(H7), C45(H45), C48(H48), C19(H19), C55(H55), C42(H42),
 C57(H57), C51(H51), C11(H11), C50(H50), C76(H76), C16(H16), C28(H28), C12(H12),
  C8(H8), C73(H73), C17(H17), C75(H75), C54(H54), C29(H29), C56(H56), C34(H34),
 C31(H31), C22(H22), C18(H18), C62(H62), C60(H60), C26(H26), C74(H74), C10(H10),
  C13(H13), C38(H38), C72(H72), C32(H32), C46(H46), C66(H66), C36(H36),
 C35(H35), C30(H30), C23(H23), C64(H64), C67(H67), C24(H24), C37(H37), C63(H63),
  C25(H25), C68(H68), C69(H69), C61(H61), C70(H70)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.20055(3) 0.18357(2) 0.28596(2) 0.02116(9) Uani 1 1 d . . . . .
Au2 Au 0.57786(3) 0.49216(2) 0.27553(2) 0.02576(9) Uani 1 1 d . . . . .
P1 P 0.2305(2) 0.09646(11) 0.35662(11) 0.0218(4) Uani 1 1 d . . . . .
P2 P 0.4730(2) 0.60437(12) 0.33643(11) 0.0245(4) Uani 1 1 d . . . . .
Cl2 Cl 0.8369(3) 0.22307(16) 0.36032(17) 0.0553(6) Uani 1 1 d . . . . .
Cl1 Cl 0.9132(3) 0.38758(16) 0.45486(16) 0.0567(7) Uani 1 1 d . . . . .
C44 C 0.7277(7) 0.0666(4) 0.1067(4) 0.0208(15) Uani 1 1 d . . . . .
C6 C 0.2217(7) 0.5041(4) 0.0927(4) 0.0191(15) Uani 1 1 d . . . . .
C41 C 0.6993(8) 0.2330(4) 0.1689(4) 0.0256(17) Uani 1 1 d . . . . .
C43 C 0.5955(7) 0.0948(4) 0.1227(4) 0.0193(15) Uani 1 1 d . . . . .
C15 C 0.1221(8) 0.6199(4) 0.0550(4) 0.0199(15) Uani 1 1 d . . . . .
C49 C 0.2353(8) 0.0115(5) 0.1273(4) 0.0281(18) Uani 1 1 d . . . . .
H49 H 0.147195 0.030954 0.140457 0.034 Uiso 1 1 calc R U . . .
C47 C 0.4750(7) 0.0383(4) 0.1122(4) 0.0201(15) Uani 1 1 d . . . . .
C4 C 0.0838(7) 0.4202(4) 0.1449(4) 0.0205(15) Uani 1 1 d . . . . .
H4 H -0.003975 0.406295 0.158147 0.025 Uiso 1 1 calc R U . . .
C52 C 0.4937(7) -0.0444(5) 0.0871(4) 0.0235(16) Uani 1 1 d . . . . .
C7 C 0.3364(8) 0.4564(4) 0.1023(4) 0.0209(15) Uani 1 1 d . . . . .
H7 H 0.424015 0.468717 0.087877 0.025 Uiso 1 1 calc R U . . .
C45 C 0.8445(8) 0.1226(5) 0.1240(5) 0.0262(17) Uani 1 1 d . . . . .
H45 H 0.934418 0.103670 0.114137 0.031 Uiso 1 1 calc R U . . .
C48 C 0.3436(7) 0.0643(5) 0.1295(4) 0.0219(16) Uani 1 1 d . . . . .
H48 H 0.328950 0.120037 0.143260 0.026 Uiso 1 1 calc R U . . .
C19 C 0.3603(7) 0.5882(4) 0.0331(4) 0.0226(16) Uani 1 1 d . . . . .
H19 H 0.438394 0.556760 0.037497 0.027 Uiso 1 1 calc R U . . .
C20 C 0.2363(8) 0.5719(4) 0.0610(4) 0.0220(16) Uani 1 1 d . . . . .
C5 C 0.0934(7) 0.4862(4) 0.1156(4) 0.0191(15) Uani 1 1 d . . . . .
C55 C 0.7664(10) -0.1834(5) 0.0012(5) 0.036(2) Uani 1 1 d . . . . .
H55 H 0.774124 -0.238842 -0.022974 0.043 Uiso 1 1 calc R U . . .
C27 C 0.1436(8) -0.0020(4) 0.3091(4) 0.0220(15) Uani 1 1 d . . . . .
C42 C 0.5839(7) 0.1783(4) 0.1537(4) 0.0228(16) Uani 1 1 d . . . . .
H42 H 0.494879 0.197817 0.164632 0.027 Uiso 1 1 calc R U . . .
C57 C 0.8695(8) -0.0494(5) 0.0468(4) 0.0256(16) Uani 1 1 d . . . . .
H57 H 0.948923 -0.013598 0.054098 0.031 Uiso 1 1 calc R U . . .
C51 C 0.3793(8) -0.0986(5) 0.0854(4) 0.0263(17) Uani 1 1 d . . . . .
H51 H 0.391085 -0.154657 0.069777 0.032 Uiso 1 1 calc R U . . .
C11 C -0.2630(8) 0.5705(5) 0.1332(4) 0.0285(17) Uani 1 1 d . . . . .
H11 H -0.349365 0.558734 0.149308 0.034 Uiso 1 1 calc R U . . .
C9 C -0.0244(7) 0.5363(4) 0.1104(4) 0.0196(15) Uani 1 1 d . . . . .
C3 C 0.1963(7) 0.3746(4) 0.1553(4) 0.0199(15) Uani 1 1 d . . . . .
C50 C 0.2535(8) -0.0714(5) 0.1058(4) 0.0281(18) Uani 1 1 d . . . . .
H50 H 0.178795 -0.108025 0.105390 0.034 Uiso 1 1 calc R U . . .
C71 C 0.4983(8) 0.6941(4) 0.3058(4) 0.0260(17) Uani 1 1 d . . . . .
C58 C 0.7442(7) -0.0189(5) 0.0725(4) 0.0230(16) Uani 1 1 d . . . . .
C40 C 0.6782(8) 0.3173(5) 0.2011(5) 0.0282(17) Uani 1 1 d . . . . .
C76 C 0.5586(9) 0.7664(5) 0.3555(5) 0.036(2) Uani 1 1 d . . . . .
H76 H 0.587987 0.770542 0.407214 0.044 Uiso 1 1 calc R U . . .
C53 C 0.6266(8) -0.0734(5) 0.0627(4) 0.0230(16) Uani 1 1 d . . . . .
C16 C 0.1347(8) 0.6811(4) 0.0196(4) 0.0260(17) Uani 1 1 d . . . . .
H16 H 0.057551 0.712949 0.014273 0.031 Uiso 1 1 calc R U . . .
C28 C 0.0078(8) -0.0053(5) 0.2730(4) 0.0263(17) Uani 1 1 d . . . . .
H28 H -0.037596 0.042983 0.275025 0.032 Uiso 1 1 calc R U . . .
C12 C -0.2466(8) 0.6378(5) 0.1084(4) 0.0267(17) Uani 1 1 d . . . . .
H12 H -0.320993 0.672775 0.108688 0.032 Uiso 1 1 calc R U . . .
C39 C 0.6534(7) 0.3851(5) 0.2269(5) 0.0278(17) Uani 1 1 d . . . . .
C8 C 0.3241(8) 0.3933(4) 0.1319(4) 0.0237(16) Uani 1 1 d . . . . .
H8 H 0.402197 0.361927 0.136719 0.028 Uiso 1 1 calc R U . . .
C73 C 0.4716(8) 0.7546(5) 0.2042(5) 0.0301(18) Uani 1 1 d . . . . .
H73 H 0.442078 0.750858 0.152621 0.036 Uiso 1 1 calc R U . . .
C1 C 0.1848(7) 0.2628(4) 0.2258(4) 0.0193(15) Uani 1 1 d . . . . .
C14 C -0.0105(7) 0.6029(4) 0.0835(4) 0.0209(15) Uani 1 1 d . . . . .
C17 C 0.2594(8) 0.6953(5) -0.0078(4) 0.0291(18) Uani 1 1 d . . . . .
H17 H 0.266952 0.736796 -0.031309 0.035 Uiso 1 1 calc R U . . .
C75 C 0.5747(9) 0.8323(5) 0.3279(5) 0.037(2) Uani 1 1 d . . . . .
H75 H 0.616678 0.881445 0.360706 0.045 Uiso 1 1 calc R U . . .
C54 C 0.6422(8) -0.1559(5) 0.0262(5) 0.0295(18) Uani 1 1 d . . . . .
H54 H 0.564598 -0.192958 0.018882 0.035 Uiso 1 1 calc R U . . .
C29 C -0.0615(8) -0.0783(5) 0.2343(5) 0.0315(18) Uani 1 1 d . . . . .
H29 H -0.154349 -0.079591 0.210586 0.038 Uiso 1 1 calc R U . . .
C56 C 0.8812(8) -0.1294(5) 0.0116(4) 0.0282(18) Uani 1 1 d . . . . .
H56 H 0.967212 -0.147980 -0.005657 0.034 Uiso 1 1 calc R U . . .
C34 C 0.4802(8) 0.0864(5) 0.4495(5) 0.0319(19) Uani 1 1 d . . . . .
H34 H 0.425660 0.096224 0.490768 0.038 Uiso 1 1 calc R U . . .
C31 C 0.1378(10) -0.1464(5) 0.2656(5) 0.038(2) Uani 1 1 d . . . . .
H31 H 0.182205 -0.195077 0.263285 0.045 Uiso 1 1 calc R U . . .
C22 C 0.1325(8) 0.0770(5) 0.4892(5) 0.0290(18) Uani 1 1 d . . . . .
H22 H 0.147100 0.021482 0.470280 0.035 Uiso 1 1 calc R U . . .
C21 C 0.1632(8) 0.1297(4) 0.4470(4) 0.0236(16) Uani 1 1 d . . . . .
C18 C 0.3712(8) 0.6494(5) -0.0006(4) 0.0293(18) Uani 1 1 d . . . . .
H18 H 0.456266 0.659429 -0.018861 0.035 Uiso 1 1 calc R U . . .
C62 C 0.5981(10) 0.6549(6) 0.5917(5) 0.040(2) Uani 1 1 d . . . . .
H62 H 0.622359 0.662372 0.644418 0.049 Uiso 1 1 calc R U . . .
C60 C 0.6416(9) 0.5952(5) 0.4641(5) 0.039(2) Uani 1 1 d . . . . .
H60 H 0.696908 0.562770 0.428976 0.046 Uiso 1 1 calc R U . . .
C26 C 0.1414(9) 0.2114(5) 0.4756(5) 0.035(2) Uani 1 1 d . . . . .
H26 H 0.163124 0.247436 0.447885 0.042 Uiso 1 1 calc R U . . .
C74 C 0.5300(8) 0.8262(5) 0.2535(5) 0.0324(19) Uani 1 1 d . . . . .
H74 H 0.539166 0.871764 0.235538 0.039 Uiso 1 1 calc R U . . .
C65 C 0.2835(8) 0.5867(5) 0.3261(4) 0.0249(16) Uani 1 1 d . . . . .
C10 C -0.1547(8) 0.5209(5) 0.1346(4) 0.0249(16) Uani 1 1 d . . . . .
H10 H -0.167042 0.475302 0.152034 0.030 Uiso 1 1 calc R U . . .
C33 C 0.4139(8) 0.0783(4) 0.3766(4) 0.0242(16) Uani 1 1 d . . . . .
C59 C 0.5239(8) 0.6300(5) 0.4384(4) 0.0281(17) Uani 1 1 d . . . . .
C13 C -0.1218(8) 0.6540(5) 0.0833(4) 0.0264(17) Uani 1 1 d . . . . .
H13 H -0.111251 0.699821 0.065905 0.032 Uiso 1 1 calc R U . . .
C38 C 0.4965(8) 0.0617(5) 0.3169(5) 0.0325(19) Uani 1 1 d . . . . .
H38 H 0.454440 0.055167 0.266600 0.039 Uiso 1 1 calc R U . . .
C72 C 0.4566(8) 0.6891(5) 0.2304(5) 0.0300(18) Uani 1 1 d . . . . .
H72 H 0.417396 0.639800 0.196504 0.036 Uiso 1 1 calc R U . . .
C32 C 0.2097(8) -0.0725(5) 0.3052(5) 0.0288(18) Uani 1 1 d . . . . .
H32 H 0.302569 -0.071147 0.328925 0.035 Uiso 1 1 calc R U . . .
C46 C 0.8311(8) 0.2035(5) 0.1545(5) 0.0285(18) Uani 1 1 d . . . . .
H46 H 0.911241 0.239491 0.165966 0.034 Uiso 1 1 calc R U . . .
C66 C 0.1887(8) 0.6396(5) 0.3079(5) 0.036(2) Uani 1 1 d . . . . .
H66 H 0.221485 0.687813 0.299523 0.044 Uiso 1 1 calc R U . . .
C2 C 0.1865(7) 0.3114(5) 0.1919(4) 0.0240(16) Uani 1 1 d . . . . .
C36 C 0.7019(8) 0.0625(5) 0.4032(5) 0.034(2) Uani 1 1 d . . . . .
H36 H 0.799235 0.055486 0.411673 0.041 Uiso 1 1 calc R U . . .
C35 C 0.6214(9) 0.0807(6) 0.4632(5) 0.040(2) Uani 1 1 d . . . . .
H35 H 0.664370 0.089131 0.513697 0.048 Uiso 1 1 calc R U . . .
C30 C 0.0027(9) -0.1486(5) 0.2299(5) 0.038(2) Uani 1 1 d . . . . .
H30 H -0.044813 -0.198399 0.202597 0.045 Uiso 1 1 calc R U . . .
C23 C 0.0812(9) 0.1064(5) 0.5581(5) 0.038(2) Uani 1 1 d . . . . .
H23 H 0.063303 0.071276 0.587341 0.045 Uiso 1 1 calc R U . . .
C64 C 0.4465(9) 0.6777(5) 0.4893(5) 0.036(2) Uani 1 1 d . . . . .
H64 H 0.367229 0.701645 0.471484 0.043 Uiso 1 1 calc R U . . .
C67 C 0.0453(9) 0.6213(5) 0.3020(5) 0.039(2) Uani 1 1 d . . . . .
H67 H -0.019380 0.656780 0.288597 0.047 Uiso 1 1 calc R U . . .
C24 C 0.0555(9) 0.1878(6) 0.5851(5) 0.040(2) Uani 1 1 d . . . . .
H24 H 0.015703 0.207071 0.631267 0.048 Uiso 1 1 calc R U . . .
C37 C 0.6369(9) 0.0547(6) 0.3304(6) 0.041(2) Uani 1 1 d . . . . .
H37 H 0.691663 0.044386 0.289249 0.049 Uiso 1 1 calc R U . . .
C63 C 0.4831(11) 0.6918(6) 0.5680(5) 0.051(3) Uani 1 1 d . . . . .
H63 H 0.430535 0.725585 0.603643 0.062 Uiso 1 1 calc R U . . .
C25 C 0.0874(11) 0.2399(6) 0.5453(6) 0.050(3) Uani 1 1 d . . . . .
H25 H 0.072958 0.295384 0.564859 0.060 Uiso 1 1 calc R U . . .
C77 C 0.9017(11) 0.3195(6) 0.3621(6) 0.048(2) Uani 1 1 d . . . . .
H77A H 0.839068 0.340212 0.326820 0.057 Uiso 1 1 calc R U . . .
H77B H 0.995570 0.315545 0.344500 0.057 Uiso 1 1 calc R U . . .
C68 C -0.0034(9) 0.5526(6) 0.3155(5) 0.042(2) Uani 1 1 d . . . . .
H68 H -0.101119 0.541239 0.312654 0.051 Uiso 1 1 calc R U . . .
C69 C 0.0916(10) 0.4998(7) 0.3334(6) 0.057(3) Uani 1 1 d . . . . .
H69 H 0.058469 0.452597 0.343374 0.069 Uiso 1 1 calc R U . . .
C61 C 0.6767(11) 0.6086(6) 0.5419(6) 0.051(3) Uani 1 1 d . . . . .
H61 H 0.756141 0.585067 0.559949 0.061 Uiso 1 1 calc R U . . .
C70 C 0.2347(9) 0.5158(6) 0.3368(6) 0.043(2) Uani 1 1 d . . . . .
H70 H 0.298837 0.478138 0.346307 0.051 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0034 0.0017 '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 -2.1920 9.2030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1551 0.1681 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1072 0.1003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 P1 176.9(2) . . ?
C39 Au2 P2 172.7(2) . . ?
C27 P1 Au1 112.7(2) . . ?
C21 P1 Au1 113.6(2) . . ?
C21 P1 C27 105.6(3) . . ?
C21 P1 C33 106.5(4) . . ?
C33 P1 Au1 112.1(2) . . ?
C33 P1 C27 105.6(3) . . ?
C71 P2 Au2 117.5(3) . . ?
C65 P2 Au2 111.1(3) . . ?
C65 P2 C71 104.3(3) . . ?
C59 P2 Au2 110.4(3) . . ?
C59 P2 C71 108.5(4) . . ?
C59 P2 C65 104.0(4) . . ?
C43 C44 C45 118.8(7) . . ?
C43 C44 C58 120.5(6) . . ?
C45 C44 C58 120.8(6) . . ?
C7 C6 C20 121.4(6) . . ?
C5 C6 C7 118.5(6) . . ?
C5 C6 C20 120.0(6) . . ?
C42 C41 C40 118.5(7) . . ?
C42 C41 C46 118.6(7) . . ?
C46 C41 C40 122.9(7) . . ?
C44 C43 C47 120.3(6) . . ?
C44 C43 C42 118.5(6) . . ?
C42 C43 C47 121.1(6) . . ?
C20 C15 C16 119.1(6) . . ?
C20 C15 C14 119.2(6) . . ?
C16 C15 C14 121.6(6) . . ?
C48 C49 H49 119.8 . . ?
C48 C49 C50 120.3(7) . . ?
C50 C49 H49 119.8 . . ?
C52 C47 C43 119.2(6) . . ?
C48 C47 C43 121.8(7) . . ?
C48 C47 C52 119.0(6) . . ?
C5 C4 H4 118.4 . . ?
C3 C4 H4 118.4 . . ?
C3 C4 C5 123.1(6) . . ?
C47 C52 C51 118.4(7) . . ?
C47 C52 C53 120.3(7) . . ?
C51 C52 C53 121.2(7) . . ?
C6 C7 H7 119.1 . . ?
C8 C7 C6 121.9(6) . . ?
C8 C7 H7 119.1 . . ?
C44 C45 H45 119.1 . . ?
C46 C45 C44 121.8(7) . . ?
C46 C45 H45 119.1 . . ?
C49 C48 C47 121.6(7) . . ?
C49 C48 H48 119.2 . . ?
C47 C48 H48 119.2 . . ?
C20 C19 H19 119.3 . . ?
C18 C19 H19 119.3 . . ?
C18 C19 C20 121.4(7) . . ?
C15 C20 C6 119.9(6) . . ?
C19 C20 C6 121.4(6) . . ?
C19 C20 C15 118.6(6) . . ?
C6 C5 C4 118.1(6) . . ?
C6 C5 C9 120.2(6) . . ?
C4 C5 C9 121.7(6) . . ?
C54 C55 H55 120.2 . . ?
C54 C55 C56 119.5(8) . . ?
C56 C55 H55 120.2 . . ?
C28 C27 P1 118.2(5) . . ?
C32 C27 P1 122.4(6) . . ?
C32 C27 C28 119.4(7) . . ?
C41 C42 C43 122.2(7) . . ?
C41 C42 H42 118.9 . . ?
C43 C42 H42 118.9 . . ?
C58 C57 H57 118.9 . . ?
C56 C57 H57 118.9 . . ?
C56 C57 C58 122.2(7) . . ?
C52 C51 H51 119.4 . . ?
C50 C51 C52 121.2(7) . . ?
C50 C51 H51 119.4 . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.1(7) . . ?
C14 C9 C5 120.5(6) . . ?
C14 C9 C10 117.9(6) . . ?
C10 C9 C5 121.6(6) . . ?
C4 C3 C8 117.9(6) . . ?
C4 C3 C2 121.9(6) . . ?
C8 C3 C2 120.1(6) . . ?
C49 C50 H50 120.3 . . ?
C51 C50 C49 119.3(7) . . ?
C51 C50 H50 120.3 . . ?
C76 C71 P2 122.3(6) . . ?
C72 C71 P2 118.0(6) . . ?
C72 C71 C76 119.7(7) . . ?
C57 C58 C44 122.9(7) . . ?
C57 C58 C53 118.5(7) . . ?
C53 C58 C44 118.6(6) . . ?
C39 C40 C41 176.5(9) . . ?
C71 C76 H76 120.5 . . ?
C75 C76 C71 119.0(8) . . ?
C75 C76 H76 120.5 . . ?
C58 C53 C52 120.4(7) . . ?
C54 C53 C52 121.6(7) . . ?
C54 C53 C58 118.0(7) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.6(7) . . ?
C17 C16 H16 119.7 . . ?
C27 C28 H28 119.7 . . ?
C29 C28 C27 120.6(7) . . ?
C29 C28 H28 119.7 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0(7) . . ?
C13 C12 H12 120.0 . . ?
C40 C39 Au2 169.2(7) . . ?
C7 C8 C3 120.3(6) . . ?
C7 C8 H8 119.8 . . ?
C3 C8 H8 119.8 . . ?
C74 C73 H73 120.2 . . ?
C72 C73 H73 120.2 . . ?
C72 C73 C74 119.6(8) . . ?
C2 C1 Au1 174.8(6) . . ?
C9 C14 C15 120.0(6) . . ?
C9 C14 C13 120.1(6) . . ?
C13 C14 C15 119.9(6) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.0(7) . . ?
C18 C17 H17 120.0 . . ?
C76 C75 H75 119.9 . . ?
C74 C75 C76 120.1(8) . . ?
C74 C75 H75 119.9 . . ?
C55 C54 C53 121.9(8) . . ?
C55 C54 H54 119.0 . . ?
C53 C54 H54 119.0 . . ?
C28 C29 H29 119.7 . . ?
C30 C29 C28 120.6(8) . . ?
C30 C29 H29 119.7 . . ?
C55 C56 H56 120.0 . . ?
C57 C56 C55 120.0(7) . . ?
C57 C56 H56 120.0 . . ?
C33 C34 H34 119.1 . . ?
C35 C34 H34 119.1 . . ?
C35 C34 C33 121.8(8) . . ?
C32 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
C30 C31 C32 120.5(8) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C23 C22 C21 119.8(7) . . ?
C22 C21 P1 122.7(6) . . ?
C26 C21 P1 117.8(5) . . ?
C26 C21 C22 119.5(7) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 C19 120.2(7) . . ?
C17 C18 H18 119.9 . . ?
C63 C62 H62 119.1 . . ?
C61 C62 H62 119.1 . . ?
C61 C62 C63 121.8(8) . . ?
C59 C60 H60 120.4 . . ?
C61 C60 H60 120.4 . . ?
C61 C60 C59 119.1(9) . . ?
C21 C26 H26 120.0 . . ?
C21 C26 C25 119.9(7) . . ?
C25 C26 H26 120.0 . . ?
C73 C74 H74 119.5 . . ?
C75 C74 C73 120.9(7) . . ?
C75 C74 H74 119.5 . . ?
C66 C65 P2 123.6(6) . . ?
C70 C65 P2 116.5(6) . . ?
C70 C65 C66 119.9(7) . . ?
C11 C10 C9 121.5(7) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C34 C33 P1 123.7(6) . . ?
C34 C33 C38 117.6(7) . . ?
C38 C33 P1 118.5(6) . . ?
C60 C59 P2 117.8(6) . . ?
C64 C59 P2 122.0(6) . . ?
C64 C59 C60 120.1(8) . . ?
C12 C13 C14 120.3(7) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C33 C38 H38 119.7 . . ?
C37 C38 C33 120.5(8) . . ?
C37 C38 H38 119.7 . . ?
C71 C72 H72 119.7 . . ?
C73 C72 C71 120.7(8) . . ?
C73 C72 H72 119.7 . . ?
C27 C32 C31 119.4(8) . . ?
C27 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C41 C46 H46 119.9 . . ?
C45 C46 C41 120.2(7) . . ?
C45 C46 H46 119.9 . . ?
C65 C66 H66 120.2 . . ?
C65 C66 C67 119.5(8) . . ?
C67 C66 H66 120.2 . . ?
C1 C2 C3 175.5(8) . . ?
C35 C36 H36 120.7 . . ?
C35 C36 C37 118.6(8) . . ?
C37 C36 H36 120.7 . . ?
C34 C35 C36 119.9(8) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C29 C30 C31 119.5(8) . . ?
C29 C30 H30 120.3 . . ?
C31 C30 H30 120.3 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.3(7) . . ?
C24 C23 H23 119.8 . . ?
C59 C64 H64 119.7 . . ?
C59 C64 C63 120.6(8) . . ?
C63 C64 H64 119.7 . . ?
C66 C67 H67 119.6 . . ?
C68 C67 C66 120.8(8) . . ?
C68 C67 H67 119.6 . . ?
C23 C24 H24 119.8 . . ?
C25 C24 C23 120.4(8) . . ?
C25 C24 H24 119.8 . . ?
C38 C37 C36 121.4(9) . . ?
C38 C37 H37 119.3 . . ?
C36 C37 H37 119.3 . . ?
C62 C63 C64 118.0(9) . . ?
C62 C63 H63 121.0 . . ?
C64 C63 H63 121.0 . . ?
C26 C25 H25 120.0 . . ?
C24 C25 C26 120.1(9) . . ?
C24 C25 H25 120.0 . . ?
Cl2 C77 Cl1 111.5(5) . . ?
Cl2 C77 H77A 109.3 . . ?
Cl2 C77 H77B 109.3 . . ?
Cl1 C77 H77A 109.3 . . ?
Cl1 C77 H77B 109.3 . . ?
H77A C77 H77B 108.0 . . ?
C67 C68 H68 120.3 . . ?
C67 C68 C69 119.5(8) . . ?
C69 C68 H68 120.3 . . ?
C68 C69 H69 119.7 . . ?
C70 C69 C68 120.5(9) . . ?
C70 C69 H69 119.7 . . ?
C62 C61 C60 120.3(9) . . ?
C62 C61 H61 119.9 . . ?
C60 C61 H61 119.9 . . ?
C65 C70 C69 119.8(8) . . ?
C65 C70 H70 120.1 . . ?
C69 C70 H70 120.1 . . ?
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 2.2737(18) . ?
Au1 C1 2.005(6) . ?
Au2 P2 2.278(2) . ?
Au2 C39 2.016(8) . ?
P1 C27 1.828(8) . ?
P1 C21 1.802(7) . ?
P1 C33 1.819(8) . ?
P2 C71 1.829(8) . ?
P2 C65 1.824(8) . ?
P2 C59 1.821(8) . ?
Cl2 C77 1.771(10) . ?
Cl1 C77 1.778(10) . ?
C44 C43 1.405(10) . ?
C44 C45 1.421(10) . ?
C44 C58 1.464(11) . ?
C6 C7 1.422(10) . ?
C6 C20 1.473(9) . ?
C6 C5 1.405(9) . ?
C41 C42 1.399(10) . ?
C41 C40 1.448(11) . ?
C41 C46 1.402(11) . ?
C43 C47 1.466(10) . ?
C43 C42 1.416(10) . ?
C15 C20 1.410(10) . ?
C15 C16 1.412(9) . ?
C15 C14 1.488(10) . ?
C49 H49 0.9500 . ?
C49 C48 1.365(10) . ?
C49 C50 1.406(12) . ?
C47 C52 1.406(10) . ?
C47 C48 1.391(10) . ?
C4 H4 0.9500 . ?
C4 C5 1.411(9) . ?
C4 C3 1.386(10) . ?
C52 C51 1.428(10) . ?
C52 C53 1.455(10) . ?
C7 H7 0.9500 . ?
C7 C8 1.370(9) . ?
C45 H45 0.9500 . ?
C45 C46 1.378(11) . ?
C48 H48 0.9500 . ?
C19 H19 0.9500 . ?
C19 C20 1.405(10) . ?
C19 C18 1.387(10) . ?
C5 C9 1.458(10) . ?
C55 H55 0.9500 . ?
C55 C54 1.376(11) . ?
C55 C56 1.397(12) . ?
C27 C28 1.396(11) . ?
C27 C32 1.383(10) . ?
C42 H42 0.9500 . ?
C57 H57 0.9500 . ?
C57 C58 1.404(10) . ?
C57 C56 1.373(11) . ?
C51 H51 0.9500 . ?
C51 C50 1.362(11) . ?
C11 H11 0.9500 . ?
C11 C12 1.389(11) . ?
C11 C10 1.371(10) . ?
C9 C14 1.396(9) . ?
C9 C10 1.421(10) . ?
C3 C8 1.409(10) . ?
C3 C2 1.456(9) . ?
C50 H50 0.9500 . ?
C71 C76 1.403(11) . ?
C71 C72 1.389(11) . ?
C58 C53 1.424(10) . ?
C40 C39 1.183(11) . ?
C76 H76 0.9500 . ?
C76 C75 1.396(11) . ?
C53 C54 1.422(11) . ?
C16 H16 0.9500 . ?
C16 C17 1.395(11) . ?
C28 H28 0.9500 . ?
C28 C29 1.385(11) . ?
C12 H12 0.9500 . ?
C12 C13 1.385(11) . ?
C8 H8 0.9500 . ?
C73 H73 0.9500 . ?
C73 C74 1.386(12) . ?
C73 C72 1.372(11) . ?
C1 C2 1.189(9) . ?
C14 C13 1.409(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.373(11) . ?
C75 H75 0.9500 . ?
C75 C74 1.372(11) . ?
C54 H54 0.9500 . ?
C29 H29 0.9500 . ?
C29 C30 1.370(12) . ?
C56 H56 0.9500 . ?
C34 H34 0.9500 . ?
C34 C33 1.397(10) . ?
C34 C35 1.367(11) . ?
C31 H31 0.9500 . ?
C31 C32 1.412(12) . ?
C31 C30 1.390(12) . ?
C22 H22 0.9500 . ?
C22 C21 1.410(10) . ?
C22 C23 1.381(11) . ?
C21 C26 1.400(11) . ?
C18 H18 0.9500 . ?
C62 H62 0.9500 . ?
C62 C63 1.385(13) . ?
C62 C61 1.351(14) . ?
C60 H60 0.9500 . ?
C60 C59 1.400(11) . ?
C60 C61 1.394(12) . ?
C26 H26 0.9500 . ?
C26 C25 1.404(12) . ?
C74 H74 0.9500 . ?
C65 C66 1.396(11) . ?
C65 C70 1.386(11) . ?
C10 H10 0.9500 . ?
C33 C38 1.398(11) . ?
C59 C64 1.366(12) . ?
C13 H13 0.9500 . ?
C38 H38 0.9500 . ?
C38 C37 1.363(11) . ?
C72 H72 0.9500 . ?
C32 H32 0.9500 . ?
C46 H46 0.9500 . ?
C66 H66 0.9500 . ?
C66 C67 1.396(12) . ?
C36 H36 0.9500 . ?
C36 C35 1.389(12) . ?
C36 C37 1.392(12) . ?
C35 H35 0.9500 . ?
C30 H30 0.9500 . ?
C23 H23 0.9500 . ?
C23 C24 1.401(12) . ?
C64 H64 0.9500 . ?
C64 C63 1.411(12) . ?
C67 H67 0.9500 . ?
C67 C68 1.374(13) . ?
C24 H24 0.9500 . ?
C24 C25 1.371(12) . ?
C37 H37 0.9500 . ?
C63 H63 0.9500 . ?
C25 H25 0.9500 . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C68 H68 0.9500 . ?
C68 C69 1.392(14) . ?
C69 H69 0.9500 . ?
C69 C70 1.391(12) . ?
C61 H61 0.9500 . ?
C70 H70 0.9500 . ?
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 C27 C28 -44.2(6) . . . . ?
Au1 P1 C27 C32 133.0(6) . . . . ?
Au1 P1 C21 C22 160.6(6) . . . . ?
Au1 P1 C21 C26 -19.5(7) . . . . ?
Au1 P1 C33 C34 127.5(6) . . . . ?
Au1 P1 C33 C38 -47.0(7) . . . . ?
Au2 P2 C71 C76 -121.3(6) . . . . ?
Au2 P2 C71 C72 58.2(7) . . . . ?
Au2 P2 C65 C66 -134.7(7) . . . . ?
Au2 P2 C65 C70 44.7(7) . . . . ?
Au2 P2 C59 C60 16.6(7) . . . . ?
Au2 P2 C59 C64 -159.5(6) . . . . ?
P1 C27 C28 C29 178.1(6) . . . . ?
P1 C27 C32 C31 -178.0(6) . . . . ?
P1 C21 C26 C25 179.1(8) . . . . ?
P1 C33 C38 C37 174.1(7) . . . . ?
P2 C71 C76 C75 179.9(6) . . . . ?
P2 C71 C72 C73 179.3(6) . . . . ?
P2 C65 C66 C67 -179.3(7) . . . . ?
P2 C65 C70 C69 176.9(8) . . . . ?
P2 C59 C64 C63 175.4(7) . . . . ?
C44 C43 C47 C52 0.9(10) . . . . ?
C44 C43 C47 C48 178.1(6) . . . . ?
C44 C43 C42 C41 0.0(11) . . . . ?
C44 C45 C46 C41 -0.6(12) . . . . ?
C44 C58 C53 C52 -0.7(10) . . . . ?
C44 C58 C53 C54 177.2(6) . . . . ?
C6 C7 C8 C3 -1.3(11) . . . . ?
C6 C5 C9 C14 -0.8(10) . . . . ?
C6 C5 C9 C10 -178.7(7) . . . . ?
C43 C44 C45 C46 -1.1(11) . . . . ?
C43 C44 C58 C57 172.0(6) . . . . ?
C43 C44 C58 C53 -6.0(10) . . . . ?
C43 C47 C52 C51 173.0(6) . . . . ?
C43 C47 C52 C53 -7.7(10) . . . . ?
C43 C47 C48 C49 -173.0(6) . . . . ?
C15 C16 C17 C18 0.3(12) . . . . ?
C15 C14 C13 C12 178.8(7) . . . . ?
C47 C43 C42 C41 175.8(7) . . . . ?
C47 C52 C51 C50 1.6(11) . . . . ?
C47 C52 C53 C58 7.6(10) . . . . ?
C47 C52 C53 C54 -170.2(7) . . . . ?
C4 C5 C9 C14 177.8(7) . . . . ?
C4 C5 C9 C10 0.0(11) . . . . ?
C4 C3 C8 C7 2.2(11) . . . . ?
C52 C47 C48 C49 4.2(10) . . . . ?
C52 C51 C50 C49 1.3(11) . . . . ?
C52 C53 C54 C55 178.3(7) . . . . ?
C7 C6 C20 C15 -177.5(7) . . . . ?
C7 C6 C20 C19 5.4(11) . . . . ?
C7 C6 C5 C4 -2.0(10) . . . . ?
C7 C6 C5 C9 176.7(6) . . . . ?
C45 C44 C43 C47 -174.4(6) . . . . ?
C45 C44 C43 C42 1.4(10) . . . . ?
C45 C44 C58 C57 -7.6(10) . . . . ?
C45 C44 C58 C53 174.4(6) . . . . ?
C48 C49 C50 C51 -1.5(11) . . . . ?
C48 C47 C52 C51 -4.2(10) . . . . ?
C48 C47 C52 C53 175.1(6) . . . . ?
C20 C6 C7 C8 179.9(7) . . . . ?
C20 C6 C5 C4 179.3(6) . . . . ?
C20 C6 C5 C9 -2.0(10) . . . . ?
C20 C15 C16 C17 -1.4(11) . . . . ?
C20 C15 C14 C9 -5.0(10) . . . . ?
C20 C15 C14 C13 175.1(7) . . . . ?
C20 C19 C18 C17 -0.3(12) . . . . ?
C5 C6 C7 C8 1.2(11) . . . . ?
C5 C6 C20 C15 1.2(10) . . . . ?
C5 C6 C20 C19 -175.9(7) . . . . ?
C5 C4 C3 C8 -3.1(11) . . . . ?
C5 C4 C3 C2 174.4(7) . . . . ?
C5 C9 C14 C15 4.3(10) . . . . ?
C5 C9 C14 C13 -175.8(7) . . . . ?
C5 C9 C10 C11 176.6(7) . . . . ?
C27 P1 C21 C22 36.5(7) . . . . ?
C27 P1 C21 C26 -143.5(7) . . . . ?
C27 P1 C33 C34 -109.4(7) . . . . ?
C27 P1 C33 C38 76.1(7) . . . . ?
C27 C28 C29 C30 -0.9(12) . . . . ?
C42 C41 C46 C45 2.0(11) . . . . ?
C42 C43 C47 C52 -174.8(7) . . . . ?
C42 C43 C47 C48 2.4(10) . . . . ?
C57 C58 C53 C52 -178.8(6) . . . . ?
C57 C58 C53 C54 -1.0(10) . . . . ?
C51 C52 C53 C58 -173.1(6) . . . . ?
C51 C52 C53 C54 9.1(11) . . . . ?
C11 C12 C13 C14 -0.7(12) . . . . ?
C9 C14 C13 C12 -1.2(11) . . . . ?
C3 C4 C5 C6 3.0(11) . . . . ?
C3 C4 C5 C9 -175.6(7) . . . . ?
C50 C49 C48 C47 -1.3(11) . . . . ?
C71 P2 C65 C66 -7.2(8) . . . . ?
C71 P2 C65 C70 172.3(7) . . . . ?
C71 P2 C59 C60 -113.4(6) . . . . ?
C71 P2 C59 C64 70.5(7) . . . . ?
C71 C76 C75 C74 1.0(13) . . . . ?
C58 C44 C43 C47 6.0(10) . . . . ?
C58 C44 C43 C42 -178.2(6) . . . . ?
C58 C44 C45 C46 178.5(7) . . . . ?
C58 C57 C56 C55 -0.8(11) . . . . ?
C58 C53 C54 C55 0.4(11) . . . . ?
C40 C41 C42 C43 -179.6(7) . . . . ?
C40 C41 C46 C45 179.8(7) . . . . ?
C76 C71 C72 C73 -1.2(12) . . . . ?
C76 C75 C74 C73 -1.6(13) . . . . ?
C53 C52 C51 C50 -177.7(7) . . . . ?
C16 C15 C20 C6 -175.6(7) . . . . ?
C16 C15 C20 C19 1.6(10) . . . . ?
C16 C15 C14 C9 172.7(7) . . . . ?
C16 C15 C14 C13 -7.2(11) . . . . ?
C16 C17 C18 C19 0.6(12) . . . . ?
C28 C27 C32 C31 -0.8(11) . . . . ?
C28 C29 C30 C31 0.9(12) . . . . ?
C12 C11 C10 C9 -0.5(12) . . . . ?
C14 C15 C20 C6 2.2(10) . . . . ?
C14 C15 C20 C19 179.4(7) . . . . ?
C14 C15 C16 C17 -179.1(7) . . . . ?
C14 C9 C10 C11 -1.3(11) . . . . ?
C54 C55 C56 C57 0.2(11) . . . . ?
C56 C55 C54 C53 0.0(11) . . . . ?
C56 C57 C58 C44 -176.8(7) . . . . ?
C56 C57 C58 C53 1.2(11) . . . . ?
C34 C33 C38 C37 -0.7(12) . . . . ?
C22 C21 C26 C25 -0.9(13) . . . . ?
C22 C23 C24 C25 -3.2(15) . . . . ?
C21 P1 C27 C28 80.4(6) . . . . ?
C21 P1 C27 C32 -102.4(6) . . . . ?
C21 P1 C33 C34 2.6(7) . . . . ?
C21 P1 C33 C38 -171.9(6) . . . . ?
C21 C22 C23 C24 2.0(13) . . . . ?
C21 C26 C25 C24 -0.3(15) . . . . ?
C18 C19 C20 C6 176.3(7) . . . . ?
C18 C19 C20 C15 -0.9(11) . . . . ?
C60 C59 C64 C63 -0.6(13) . . . . ?
C74 C73 C72 C71 0.6(12) . . . . ?
C65 P2 C71 C76 115.2(7) . . . . ?
C65 P2 C71 C72 -65.3(7) . . . . ?
C65 P2 C59 C60 135.9(6) . . . . ?
C65 P2 C59 C64 -40.2(8) . . . . ?
C65 C66 C67 C68 1.3(14) . . . . ?
C10 C11 C12 C13 1.5(12) . . . . ?
C10 C9 C14 C15 -177.8(6) . . . . ?
C10 C9 C14 C13 2.1(11) . . . . ?
C33 P1 C27 C28 -166.9(5) . . . . ?
C33 P1 C27 C32 10.3(7) . . . . ?
C33 P1 C21 C22 -75.5(7) . . . . ?
C33 P1 C21 C26 104.4(7) . . . . ?
C33 C34 C35 C36 -3.1(13) . . . . ?
C33 C38 C37 C36 1.1(14) . . . . ?
C59 P2 C71 C76 4.7(8) . . . . ?
C59 P2 C71 C72 -175.8(6) . . . . ?
C59 P2 C65 C66 106.5(7) . . . . ?
C59 P2 C65 C70 -74.0(7) . . . . ?
C59 C60 C61 C62 -0.2(13) . . . . ?
C59 C64 C63 C62 -1.0(13) . . . . ?
C72 C71 C76 C75 0.4(12) . . . . ?
C72 C73 C74 C75 0.8(13) . . . . ?
C32 C27 C28 C29 0.8(11) . . . . ?
C32 C31 C30 C29 -1.0(12) . . . . ?
C46 C41 C42 C43 -1.7(11) . . . . ?
C66 C65 C70 C69 -3.6(14) . . . . ?
C66 C67 C68 C69 -1.6(14) . . . . ?
C2 C3 C8 C7 -175.4(7) . . . . ?
C35 C34 C33 P1 -172.8(7) . . . . ?
C35 C34 C33 C38 1.7(12) . . . . ?
C35 C36 C37 C38 -2.5(14) . . . . ?
C30 C31 C32 C27 0.9(11) . . . . ?
C23 C22 C21 P1 180.0(7) . . . . ?
C23 C22 C21 C26 0.1(12) . . . . ?
C23 C24 C25 C26 2.4(15) . . . . ?
C67 C68 C69 C70 -0.8(16) . . . . ?
C37 C36 C35 C34 3.4(13) . . . . ?
C63 C62 C61 C60 -1.4(15) . . . . ?
C68 C69 C70 C65 3.4(16) . . . . ?
C61 C62 C63 C64 2.0(14) . . . . ?
C61 C60 C59 P2 -174.9(7) . . . . ?
C61 C60 C59 C64 1.2(12) . . . . ?
C70 C65 C66 C67 1.3(13) . . . . ?
