# Supplementary Information (SI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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 
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data_mx8936
_database_code_depnum_ccdc_archive 'CCDC 2226130'
loop_
_audit_author_name
_audit_author_address
'Zhixun Luo'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2024-01-20 deposited with the CCDC.	2025-02-17 downloaded from the CCDC.
;
_audit_creation_date             2020-11-30
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C68 H50 Ag2 Au2 P2'
_chemical_formula_sum            'C68 H50 Ag2 Au2 P2'
_chemical_formula_weight         1538.69
_chemical_melting_point          ?
_chemical_oxdiff_formula         AuAgCH
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'
Ag Ag -0.8971 1.1015 '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                   11.3993(2)
_cell_length_b                   21.6280(3)
_cell_length_c                   21.9620(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.7590(10)
_cell_angle_gamma                90
_cell_volume                     5402.95(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    28208
_cell_measurement_temperature    110.01(10)
_cell_measurement_theta_max      31.2490
_cell_measurement_theta_min      1.9160
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.230
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2960
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.855
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            45818
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.855
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.021
_diffrn_reflns_theta_min         1.883
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.855
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      0.00  52.00   0.50    3.00    --  -11.60  45.00 156.38  104
  2  ω   -101.00  -9.00   0.50    3.00    --  -11.60  45.00  90.00  184
  3  ω     13.00  76.00   0.50    3.00    --  -11.60  45.00  90.00  126
  4  ω   -101.00 -18.00   0.50    3.00    --  -11.60  45.00 156.38  166
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0418638000
_diffrn_orient_matrix_UB_12      0.0016983000
_diffrn_orient_matrix_UB_13      -0.0224552000
_diffrn_orient_matrix_UB_21      0.0154331000
_diffrn_orient_matrix_UB_22      0.0303411000
_diffrn_orient_matrix_UB_23      0.0099132000
_diffrn_orient_matrix_UB_31      0.0436240000
_diffrn_orient_matrix_UB_32      -0.0123340000
_diffrn_orient_matrix_UB_33      0.0210603000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13293
_reflns_number_total             14759
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.331
_refine_diff_density_min         -1.841
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     667
_refine_ls_number_reflns         14759
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0259
_refine_ls_restrained_S_all      1.027
_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)+(0.0232P)²+15.8653P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0612
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32),
 C33(H33), C34(H34), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42), C46(H46),
  C47(H47), C48(H48), C49(H49), C50(H50), C52(H52), C53(H53), C54(H54),
 C55(H55), C56(H56), C58(H58), C59(H59), C60(H60), C61(H61), C62(H62), C64(H64),
  C65(H65), C66(H66), C67(H67), C68(H68)
;
_atom_sites_solution_hydrogens   geom
_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 0.60980(2) 0.30534(2) 0.75636(2) 0.01609(3) Uani 1 1 d . . . . .
Au2 Au 0.36790(2) 0.42300(2) 0.68366(2) 0.01667(3) Uani 1 1 d . . . . .
Ag1 Ag 0.36285(2) 0.28872(2) 0.72077(2) 0.01566(5) Uani 1 1 d . . . . .
Ag2 Ag 0.61421(2) 0.43761(2) 0.71776(2) 0.01330(5) Uani 1 1 d . . . . .
P1 P 0.37002(7) 0.20692(3) 0.64622(3) 0.01143(14) Uani 1 1 d . . . . .
P2 P 0.62711(6) 0.49574(3) 0.81187(3) 0.01012(13) Uani 1 1 d . . . . .
C1 C 0.5041(3) 0.25953(14) 0.80964(14) 0.0158(6) Uani 1 1 d . . . . .
C2 C 0.4489(3) 0.22503(14) 0.84052(14) 0.0145(6) Uani 1 1 d . . . . .
C3 C 0.3848(3) 0.18172(14) 0.87509(13) 0.0127(5) Uani 1 1 d . . . . .
C4 C 0.4132(3) 0.17189(15) 0.93726(14) 0.0176(6) Uani 1 1 d . . . . .
H4 H 0.474975 0.193744 0.956904 0.021 Uiso 1 1 calc R U . . .
C5 C 0.3505(3) 0.13001(17) 0.96972(15) 0.0223(7) Uani 1 1 d . . . . .
H5 H 0.370057 0.123936 1.011066 0.027 Uiso 1 1 calc R U . . .
C6 C 0.2581(3) 0.09687(16) 0.94094(16) 0.0237(7) Uani 1 1 d . . . . .
H6 H 0.215941 0.068676 0.962860 0.028 Uiso 1 1 calc R U . . .
C7 C 0.2295(3) 0.10618(16) 0.87947(16) 0.0218(7) Uani 1 1 d . . . . .
H7 H 0.167783 0.084162 0.860025 0.026 Uiso 1 1 calc R U . . .
C8 C 0.2922(3) 0.14807(15) 0.84665(14) 0.0167(6) Uani 1 1 d . . . . .
H8 H 0.272332 0.153836 0.805290 0.020 Uiso 1 1 calc R U . . .
C9 C 0.2571(3) 0.37686(14) 0.73452(14) 0.0158(6) Uani 1 1 d . . . . .
C10 C 0.1891(3) 0.35291(14) 0.76767(14) 0.0152(6) Uani 1 1 d . . . . .
C11 C 0.1043(3) 0.32848(14) 0.80704(14) 0.0156(6) Uani 1 1 d . . . . .
C12 C 0.1364(3) 0.28374(16) 0.85083(16) 0.0229(7) Uani 1 1 d . . . . .
H12 H 0.213988 0.270248 0.855311 0.027 Uiso 1 1 calc R U . . .
C13 C 0.0545(4) 0.25939(18) 0.88746(17) 0.0292(8) Uani 1 1 d . . . . .
H13 H 0.076198 0.228484 0.915406 0.035 Uiso 1 1 calc R U . . .
C14 C -0.0598(4) 0.28079(18) 0.88274(16) 0.0291(8) Uani 1 1 d . . . . .
H14 H -0.114700 0.264842 0.908062 0.035 Uiso 1 1 calc R U . . .
C15 C -0.0928(3) 0.32586(18) 0.84049(16) 0.0263(8) Uani 1 1 d . . . . .
H15 H -0.169758 0.340440 0.837614 0.032 Uiso 1 1 calc R U . . .
C16 C -0.0118(3) 0.34933(16) 0.80247(14) 0.0184(6) Uani 1 1 d . . . . .
H16 H -0.034822 0.379202 0.773647 0.022 Uiso 1 1 calc R U . . .
C17 C 0.4978(3) 0.21076(15) 0.60100(13) 0.0144(6) Uani 1 1 d . . . . .
C18 C 0.5475(3) 0.15805(16) 0.57639(14) 0.0189(6) Uani 1 1 d . . . . .
H18 H 0.516734 0.119097 0.583587 0.023 Uiso 1 1 calc R U . . .
C19 C 0.6438(3) 0.16460(19) 0.54091(15) 0.0256(7) Uani 1 1 d . . . . .
H19 H 0.677405 0.129812 0.524260 0.031 Uiso 1 1 calc R U . . .
C20 C 0.6895(3) 0.2224(2) 0.53036(16) 0.0295(8) Uani 1 1 d . . . . .
H20 H 0.753795 0.226359 0.506700 0.035 Uiso 1 1 calc R U . . .
C21 C 0.6405(3) 0.27426(19) 0.55459(16) 0.0276(8) Uani 1 1 d . . . . .
H21 H 0.671343 0.313104 0.547006 0.033 Uiso 1 1 calc R U . . .
C22 C 0.5451(3) 0.26873(16) 0.59036(15) 0.0194(6) Uani 1 1 d . . . . .
H22 H 0.512755 0.303776 0.607199 0.023 Uiso 1 1 calc R U . . .
C23 C 0.3797(3) 0.13275(14) 0.68577(13) 0.0127(5) Uani 1 1 d . . . . .
C24 C 0.4763(3) 0.12316(14) 0.72716(13) 0.0135(5) Uani 1 1 d . . . . .
H24 H 0.537549 0.151607 0.729974 0.016 Uiso 1 1 calc R U . . .
C25 C 0.4804(3) 0.07103(15) 0.76410(14) 0.0164(6) Uani 1 1 d . . . . .
H25 H 0.544663 0.064854 0.791776 0.020 Uiso 1 1 calc R U . . .
C26 C 0.3900(3) 0.02802(14) 0.76023(14) 0.0172(6) Uani 1 1 d . . . . .
H26 H 0.393115 -0.006687 0.785286 0.021 Uiso 1 1 calc R U . . .
C27 C 0.2946(3) 0.03734(15) 0.71855(14) 0.0170(6) Uani 1 1 d . . . . .
H27 H 0.234141 0.008401 0.715270 0.020 Uiso 1 1 calc R U . . .
C28 C 0.2890(3) 0.08943(14) 0.68188(14) 0.0148(6) Uani 1 1 d . . . . .
H28 H 0.224296 0.095567 0.654482 0.018 Uiso 1 1 calc R U . . .
C29 C 0.2453(3) 0.19980(13) 0.59050(14) 0.0137(6) Uani 1 1 d . . . . .
C30 C 0.2570(3) 0.18735(15) 0.52890(14) 0.0179(6) Uani 1 1 d . . . . .
H30 H 0.331389 0.182634 0.514504 0.021 Uiso 1 1 calc R U . . .
C31 C 0.1581(3) 0.18197(16) 0.48904(16) 0.0234(7) Uani 1 1 d . . . . .
H31 H 0.166528 0.174021 0.447936 0.028 Uiso 1 1 calc R U . . .
C32 C 0.0468(3) 0.18838(15) 0.51012(17) 0.0233(7) Uani 1 1 d . . . . .
H32 H -0.019349 0.184043 0.483325 0.028 Uiso 1 1 calc R U . . .
C33 C 0.0340(3) 0.20123(16) 0.57101(18) 0.0247(7) Uani 1 1 d . . . . .
H33 H -0.040651 0.205377 0.585191 0.030 Uiso 1 1 calc R U . . .
C34 C 0.1329(3) 0.20796(16) 0.61108(15) 0.0193(6) Uani 1 1 d . . . . .
H34 H 0.124188 0.217929 0.651722 0.023 Uiso 1 1 calc R U . . .
C35 C 0.7205(3) 0.34807(14) 0.70327(14) 0.0166(6) Uani 1 1 d . . . . .
C36 C 0.7916(3) 0.37429(14) 0.67326(13) 0.0141(6) Uani 1 1 d . . . . .
C37 C 0.8848(3) 0.39954(14) 0.63992(13) 0.0145(6) Uani 1 1 d . . . . .
C38 C 0.9846(3) 0.36410(16) 0.63137(14) 0.0198(6) Uani 1 1 d . . . . .
H38 H 0.990176 0.324075 0.646766 0.024 Uiso 1 1 calc R U . . .
C39 C 1.0754(3) 0.38836(18) 0.60006(15) 0.0240(7) Uani 1 1 d . . . . .
H39 H 1.141212 0.364276 0.594061 0.029 Uiso 1 1 calc R U . . .
C40 C 1.0692(3) 0.44808(19) 0.57756(16) 0.0270(8) Uani 1 1 d . . . . .
H40 H 1.131084 0.464236 0.557000 0.032 Uiso 1 1 calc R U . . .
C41 C 0.9707(3) 0.48365(17) 0.58575(16) 0.0265(8) Uani 1 1 d . . . . .
H41 H 0.966242 0.523767 0.570533 0.032 Uiso 1 1 calc R U . . .
C42 C 0.8789(3) 0.45979(15) 0.61648(15) 0.0206(7) Uani 1 1 d . . . . .
H42 H 0.812698 0.483887 0.621637 0.025 Uiso 1 1 calc R U . . .
C43 C 0.4778(3) 0.47523(15) 0.63837(14) 0.0167(6) Uani 1 1 d . . . . .
C44 C 0.5405(3) 0.51344(15) 0.61629(14) 0.0154(6) Uani 1 1 d . . . . .
C45 C 0.6098(3) 0.56072(14) 0.58938(14) 0.0159(6) Uani 1 1 d . . . . .
C46 C 0.6000(3) 0.57231(17) 0.52665(15) 0.0225(7) Uani 1 1 d . . . . .
H46 H 0.546789 0.549756 0.501581 0.027 Uiso 1 1 calc R U . . .
C47 C 0.6688(3) 0.61702(18) 0.50161(17) 0.0271(8) Uani 1 1 d . . . . .
H47 H 0.661529 0.624298 0.459797 0.033 Uiso 1 1 calc R U . . .
C48 C 0.7478(3) 0.65085(17) 0.53796(18) 0.0272(8) Uani 1 1 d . . . . .
H48 H 0.794143 0.680629 0.520664 0.033 Uiso 1 1 calc R U . . .
C49 C 0.7584(3) 0.64060(17) 0.60034(17) 0.0255(7) Uani 1 1 d . . . . .
H49 H 0.811652 0.663602 0.624917 0.031 Uiso 1 1 calc R U . . .
C50 C 0.6895(3) 0.59599(16) 0.62620(16) 0.0208(7) Uani 1 1 d . . . . .
H50 H 0.696205 0.589497 0.668143 0.025 Uiso 1 1 calc R U . . .
C51 C 0.7588(3) 0.48282(13) 0.86131(13) 0.0120(5) Uani 1 1 d . . . . .
C52 C 0.8682(3) 0.48995(15) 0.83735(14) 0.0170(6) Uani 1 1 d . . . . .
H52 H 0.872290 0.501884 0.796867 0.020 Uiso 1 1 calc R U . . .
C53 C 0.9706(3) 0.47950(16) 0.87304(16) 0.0203(7) Uani 1 1 d . . . . .
H53 H 1.043184 0.485349 0.856841 0.024 Uiso 1 1 calc R U . . .
C54 C 0.9652(3) 0.46039(16) 0.93271(15) 0.0197(6) Uani 1 1 d . . . . .
H54 H 1.034105 0.453057 0.956668 0.024 Uiso 1 1 calc R U . . .
C55 C 0.8574(3) 0.45213(17) 0.95691(15) 0.0211(7) Uani 1 1 d . . . . .
H55 H 0.853963 0.438886 0.997040 0.025 Uiso 1 1 calc R U . . .
C56 C 0.7544(3) 0.46349(15) 0.92166(14) 0.0178(6) Uani 1 1 d . . . . .
H56 H 0.682171 0.458214 0.938312 0.021 Uiso 1 1 calc R U . . .
C57 C 0.5079(3) 0.48285(14) 0.86143(13) 0.0121(5) Uani 1 1 d . . . . .
C58 C 0.4504(3) 0.42627(14) 0.86021(14) 0.0154(6) Uani 1 1 d . . . . .
H58 H 0.472211 0.395442 0.833669 0.018 Uiso 1 1 calc R U . . .
C59 C 0.3605(3) 0.41560(16) 0.89852(15) 0.0198(6) Uani 1 1 d . . . . .
H59 H 0.322491 0.377533 0.897995 0.024 Uiso 1 1 calc R U . . .
C60 C 0.3274(3) 0.46201(17) 0.93770(15) 0.0216(7) Uani 1 1 d . . . . .
H60 H 0.266785 0.455119 0.963221 0.026 Uiso 1 1 calc R U . . .
C61 C 0.3846(3) 0.51835(15) 0.93872(14) 0.0177(6) Uani 1 1 d . . . . .
H61 H 0.362182 0.549248 0.965035 0.021 Uiso 1 1 calc R U . . .
C62 C 0.4747(3) 0.52918(14) 0.90098(13) 0.0147(6) Uani 1 1 d . . . . .
H62 H 0.512964 0.567170 0.901948 0.018 Uiso 1 1 calc R U . . .
C63 C 0.6222(3) 0.57873(13) 0.79862(13) 0.0119(5) Uani 1 1 d . . . . .
C64 C 0.5263(3) 0.60147(15) 0.76231(14) 0.0163(6) Uani 1 1 d . . . . .
H64 H 0.468449 0.574503 0.746539 0.020 Uiso 1 1 calc R U . . .
C65 C 0.5175(3) 0.66397(16) 0.74987(15) 0.0213(7) Uani 1 1 d . . . . .
H65 H 0.453284 0.678985 0.726067 0.026 Uiso 1 1 calc R U . . .
C66 C 0.6041(3) 0.70455(15) 0.77272(16) 0.0229(7) Uani 1 1 d . . . . .
H66 H 0.598129 0.746587 0.764177 0.027 Uiso 1 1 calc R U . . .
C67 C 0.6993(3) 0.68199(15) 0.80825(17) 0.0225(7) Uani 1 1 d . . . . .
H67 H 0.757580 0.708941 0.823519 0.027 Uiso 1 1 calc R U . . .
C68 C 0.7080(3) 0.61935(15) 0.82121(14) 0.0178(6) Uani 1 1 d . . . . .
H68 H 0.772150 0.604552 0.845262 0.021 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 Ag1 2.8942(3) . ?
Au1 Ag2 2.9850(3) . ?
Au1 C1 1.997(3) . ?
Au1 C35 2.000(3) . ?
Au2 Ag1 3.0180(3) . ?
Au2 Ag2 2.8756(3) . ?
Au2 C9 2.006(3) . ?
Au2 C43 1.999(3) . ?
Ag1 P1 2.4155(8) . ?
Ag1 C1 2.528(3) . ?
Ag1 C9 2.286(3) . ?
Ag1 C10 2.679(3) . ?
Ag2 P2 2.4155(8) . ?
Ag2 C35 2.318(3) . ?
Ag2 C36 2.680(3) . ?
Ag2 C43 2.401(3) . ?
P1 C17 1.818(3) . ?
P1 C23 1.824(3) . ?
P1 C29 1.820(3) . ?
P2 C51 1.816(3) . ?
P2 C57 1.818(3) . ?
P2 C63 1.819(3) . ?
C1 C2 1.212(4) . ?
C2 C3 1.435(4) . ?
C3 C4 1.399(4) . ?
C3 C8 1.396(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.381(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.391(5) . ?
C6 H6 0.9300 . ?
C6 C7 1.383(5) . ?
C7 H7 0.9300 . ?
C7 C8 1.385(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.213(4) . ?
C10 C11 1.439(4) . ?
C11 C12 1.396(5) . ?
C11 C16 1.396(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.377(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.381(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.381(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.382(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.398(4) . ?
C17 C22 1.390(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.394(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.380(6) . ?
C20 H20 0.9300 . ?
C20 C21 1.375(6) . ?
C21 H21 0.9300 . ?
C21 C22 1.388(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.396(4) . ?
C23 C28 1.394(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.388(4) . ?
C25 H25 0.9300 . ?
C25 C26 1.387(5) . ?
C26 H26 0.9300 . ?
C26 C27 1.389(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.384(4) . ?
C28 H28 0.9300 . ?
C29 C30 1.394(4) . ?
C29 C34 1.397(4) . ?
C30 H30 0.9300 . ?
C30 C31 1.386(5) . ?
C31 H31 0.9300 . ?
C31 C32 1.386(5) . ?
C32 H32 0.9300 . ?
C32 C33 1.383(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.391(5) . ?
C34 H34 0.9300 . ?
C35 C36 1.218(4) . ?
C36 C37 1.437(4) . ?
C37 C38 1.395(4) . ?
C37 C42 1.401(5) . ?
C38 H38 0.9300 . ?
C38 C39 1.382(5) . ?
C39 H39 0.9300 . ?
C39 C40 1.383(5) . ?
C40 H40 0.9300 . ?
C40 C41 1.383(6) . ?
C41 H41 0.9300 . ?
C41 C42 1.382(5) . ?
C42 H42 0.9300 . ?
C43 C44 1.215(4) . ?
C44 C45 1.442(4) . ?
C45 C46 1.397(5) . ?
C45 C50 1.402(5) . ?
C46 H46 0.9300 . ?
C46 C47 1.382(5) . ?
C47 H47 0.9300 . ?
C47 C48 1.375(5) . ?
C48 H48 0.9300 . ?
C48 C49 1.385(5) . ?
C49 H49 0.9300 . ?
C49 C50 1.389(5) . ?
C50 H50 0.9300 . ?
C51 C52 1.393(4) . ?
C51 C56 1.394(4) . ?
C52 H52 0.9300 . ?
C52 C53 1.382(5) . ?
C53 H53 0.9300 . ?
C53 C54 1.379(5) . ?
C54 H54 0.9300 . ?
C54 C55 1.382(5) . ?
C55 H55 0.9300 . ?
C55 C56 1.385(4) . ?
C56 H56 0.9300 . ?
C57 C58 1.388(4) . ?
C57 C62 1.395(4) . ?
C58 H58 0.9300 . ?
C58 C59 1.387(4) . ?
C59 H59 0.9300 . ?
C59 C60 1.390(5) . ?
C60 H60 0.9300 . ?
C60 C61 1.381(5) . ?
C61 H61 0.9300 . ?
C61 C62 1.381(4) . ?
C62 H62 0.9300 . ?
C63 C64 1.399(4) . ?
C63 C68 1.383(4) . ?
C64 H64 0.9300 . ?
C64 C65 1.381(5) . ?
C65 H65 0.9300 . ?
C65 C66 1.390(5) . ?
C66 H66 0.9300 . ?
C66 C67 1.383(5) . ?
C67 H67 0.9300 . ?
C67 C68 1.387(5) . ?
C68 H68 0.9300 . ?

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
Ag1 Au1 Ag2 94.391(7) . . ?
C1 Au1 Ag1 58.88(9) . . ?
C1 Au1 Ag2 131.61(9) . . ?
C1 Au1 C35 177.47(12) . . ?
C35 Au1 Ag1 122.67(9) . . ?
C35 Au1 Ag2 50.84(9) . . ?
Ag2 Au2 Ag1 94.071(7) . . ?
C9 Au2 Ag1 49.24(9) . . ?
C9 Au2 Ag2 123.32(9) . . ?
C43 Au2 Ag1 134.57(9) . . ?
C43 Au2 Ag2 55.58(9) . . ?
C43 Au2 C9 174.83(12) . . ?
Au1 Ag1 Au2 85.294(7) . . ?
P1 Ag1 Au1 101.45(2) . . ?
P1 Ag1 Au2 121.31(2) . . ?
P1 Ag1 C1 106.99(7) . . ?
P1 Ag1 C10 134.34(7) . . ?
C1 Ag1 Au1 42.55(7) . . ?
C1 Ag1 Au2 115.24(7) . . ?
C1 Ag1 C10 106.39(9) . . ?
C9 Ag1 Au1 111.88(8) . . ?
C9 Ag1 Au2 41.65(8) . . ?
C9 Ag1 P1 137.89(8) . . ?
C9 Ag1 C1 114.90(10) . . ?
C9 Ag1 C10 26.82(10) . . ?
C10 Ag1 Au1 124.20(7) . . ?
C10 Ag1 Au2 68.45(7) . . ?
Au2 Ag2 Au1 86.234(7) . . ?
P2 Ag2 Au1 104.889(19) . . ?
P2 Ag2 Au2 106.479(19) . . ?
P2 Ag2 C36 124.96(7) . . ?
C35 Ag2 Au1 42.00(8) . . ?
C35 Ag2 Au2 112.51(8) . . ?
C35 Ag2 P2 123.32(8) . . ?
C35 Ag2 C36 26.98(10) . . ?
C35 Ag2 C43 120.21(11) . . ?
C36 Ag2 Au1 68.96(7) . . ?
C36 Ag2 Au2 126.61(7) . . ?
C43 Ag2 Au1 120.58(8) . . ?
C43 Ag2 Au2 43.37(8) . . ?
C43 Ag2 P2 116.43(8) . . ?
C43 Ag2 C36 112.14(10) . . ?
C17 P1 Ag1 113.63(10) . . ?
C17 P1 C23 105.95(14) . . ?
C17 P1 C29 104.77(14) . . ?
C23 P1 Ag1 108.97(9) . . ?
C29 P1 Ag1 117.25(10) . . ?
C29 P1 C23 105.42(14) . . ?
C51 P2 Ag2 115.67(10) . . ?
C51 P2 C57 103.87(13) . . ?
C51 P2 C63 105.27(14) . . ?
C57 P2 Ag2 115.26(10) . . ?
C57 P2 C63 103.33(13) . . ?
C63 P2 Ag2 112.16(10) . . ?
Au1 C1 Ag1 78.57(10) . . ?
C2 C1 Au1 171.5(3) . . ?
C2 C1 Ag1 104.9(2) . . ?
C1 C2 C3 177.1(3) . . ?
C4 C3 C2 121.5(3) . . ?
C8 C3 C2 120.0(3) . . ?
C8 C3 C4 118.5(3) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.6(3) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.4(3) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 H6 120.3 . . ?
C7 C6 C5 119.5(3) . . ?
C7 C6 H6 120.3 . . ?
C6 C7 H7 119.8 . . ?
C6 C7 C8 120.5(3) . . ?
C8 C7 H7 119.8 . . ?
C3 C8 H8 119.7 . . ?
C7 C8 C3 120.6(3) . . ?
C7 C8 H8 119.7 . . ?
Au2 C9 Ag1 89.11(11) . . ?
C10 C9 Au2 175.2(3) . . ?
C10 C9 Ag1 94.9(2) . . ?
C9 C10 Ag1 58.24(19) . . ?
C9 C10 C11 176.1(3) . . ?
C11 C10 Ag1 125.7(2) . . ?
C12 C11 C10 120.8(3) . . ?
C12 C11 C16 118.6(3) . . ?
C16 C11 C10 120.6(3) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.7(3) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.1(4) . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.1(3) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.1(3) . . ?
C16 C15 H15 119.9 . . ?
C11 C16 H16 119.8 . . ?
C15 C16 C11 120.4(3) . . ?
C15 C16 H16 119.8 . . ?
C18 C17 P1 122.3(2) . . ?
C22 C17 P1 117.8(2) . . ?
C22 C17 C18 119.9(3) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 C17 119.2(3) . . ?
C19 C18 H18 120.4 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.4(3) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.4(3) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.1(3) . . ?
C22 C21 H21 119.9 . . ?
C17 C22 H22 120.0 . . ?
C21 C22 C17 120.0(3) . . ?
C21 C22 H22 120.0 . . ?
C24 C23 P1 117.5(2) . . ?
C28 C23 P1 122.7(2) . . ?
C28 C23 C24 119.3(3) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.8(3) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 119.6 . . ?
C26 C25 C24 120.8(3) . . ?
C26 C25 H25 119.6 . . ?
C25 C26 H26 120.3 . . ?
C25 C26 C27 119.3(3) . . ?
C27 C26 H26 120.3 . . ?
C26 C27 H27 119.8 . . ?
C28 C27 C26 120.4(3) . . ?
C28 C27 H27 119.8 . . ?
C23 C28 H28 119.8 . . ?
C27 C28 C23 120.4(3) . . ?
C27 C28 H28 119.8 . . ?
C30 C29 P1 123.3(2) . . ?
C30 C29 C34 119.1(3) . . ?
C34 C29 P1 117.7(2) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 C29 120.3(3) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 119.8 . . ?
C30 C31 C32 120.3(3) . . ?
C32 C31 H31 119.8 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0(3) . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.0(3) . . ?
C34 C33 H33 120.0 . . ?
C29 C34 H34 119.9 . . ?
C33 C34 C29 120.3(3) . . ?
C33 C34 H34 119.9 . . ?
Au1 C35 Ag2 87.15(11) . . ?
C36 C35 Au1 177.0(3) . . ?
C36 C35 Ag2 93.3(2) . . ?
C35 C36 Ag2 59.70(18) . . ?
C35 C36 C37 173.4(3) . . ?
C37 C36 Ag2 126.3(2) . . ?
C38 C37 C36 119.8(3) . . ?
C38 C37 C42 118.8(3) . . ?
C42 C37 C36 121.4(3) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 C37 120.1(3) . . ?
C39 C38 H38 119.9 . . ?
C38 C39 H39 119.7 . . ?
C38 C39 C40 120.7(3) . . ?
C40 C39 H39 119.7 . . ?
C39 C40 H40 120.1 . . ?
C41 C40 C39 119.7(3) . . ?
C41 C40 H40 120.1 . . ?
C40 C41 H41 119.9 . . ?
C42 C41 C40 120.2(3) . . ?
C42 C41 H41 119.9 . . ?
C37 C42 H42 119.8 . . ?
C41 C42 C37 120.5(3) . . ?
C41 C42 H42 119.8 . . ?
Au2 C43 Ag2 81.05(10) . . ?
C44 C43 Au2 171.0(3) . . ?
C44 C43 Ag2 98.6(2) . . ?
C43 C44 C45 177.1(3) . . ?
C46 C45 C44 121.4(3) . . ?
C46 C45 C50 118.6(3) . . ?
C50 C45 C44 120.1(3) . . ?
C45 C46 H46 119.8 . . ?
C47 C46 C45 120.5(3) . . ?
C47 C46 H46 119.8 . . ?
C46 C47 H47 119.7 . . ?
C48 C47 C46 120.6(3) . . ?
C48 C47 H47 119.7 . . ?
C47 C48 H48 120.0 . . ?
C47 C48 C49 120.0(3) . . ?
C49 C48 H48 120.0 . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 120.0(3) . . ?
C50 C49 H49 120.0 . . ?
C45 C50 H50 119.8 . . ?
C49 C50 C45 120.3(3) . . ?
C49 C50 H50 119.8 . . ?
C52 C51 P2 118.8(2) . . ?
C52 C51 C56 118.7(3) . . ?
C56 C51 P2 122.4(2) . . ?
C51 C52 H52 119.6 . . ?
C53 C52 C51 120.8(3) . . ?
C53 C52 H52 119.6 . . ?
C52 C53 H53 120.0 . . ?
C54 C53 C52 119.9(3) . . ?
C54 C53 H53 120.0 . . ?
C53 C54 H54 120.0 . . ?
C53 C54 C55 120.0(3) . . ?
C55 C54 H54 120.0 . . ?
C54 C55 H55 119.9 . . ?
C54 C55 C56 120.3(3) . . ?
C56 C55 H55 119.9 . . ?
C51 C56 H56 119.9 . . ?
C55 C56 C51 120.2(3) . . ?
C55 C56 H56 119.9 . . ?
C58 C57 P2 119.6(2) . . ?
C58 C57 C62 119.9(3) . . ?
C62 C57 P2 120.5(2) . . ?
C57 C58 H58 119.9 . . ?
C59 C58 C57 120.1(3) . . ?
C59 C58 H58 119.9 . . ?
C58 C59 H59 120.1 . . ?
C58 C59 C60 119.8(3) . . ?
C60 C59 H59 120.1 . . ?
C59 C60 H60 120.0 . . ?
C61 C60 C59 120.0(3) . . ?
C61 C60 H60 120.0 . . ?
C60 C61 H61 119.7 . . ?
C60 C61 C62 120.5(3) . . ?
C62 C61 H61 119.7 . . ?
C57 C62 H62 120.2 . . ?
C61 C62 C57 119.7(3) . . ?
C61 C62 H62 120.2 . . ?
C64 C63 P2 116.9(2) . . ?
C68 C63 P2 123.8(2) . . ?
C68 C63 C64 119.3(3) . . ?
C63 C64 H64 120.0 . . ?
C65 C64 C63 120.0(3) . . ?
C65 C64 H64 120.0 . . ?
C64 C65 H65 119.8 . . ?
C64 C65 C66 120.4(3) . . ?
C66 C65 H65 119.8 . . ?
C65 C66 H66 120.2 . . ?
C67 C66 C65 119.5(3) . . ?
C67 C66 H66 120.2 . . ?
C66 C67 H67 119.9 . . ?
C66 C67 C68 120.3(3) . . ?
C68 C67 H67 119.9 . . ?
C63 C68 C67 120.5(3) . . ?
C63 C68 H68 119.8 . . ?
C67 C68 H68 119.8 . . ?

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
Ag1 P1 C17 C18 151.1(2) . . . . ?
Ag1 P1 C17 C22 -29.9(3) . . . . ?
Ag1 P1 C23 C24 -59.8(2) . . . . ?
Ag1 P1 C23 C28 112.2(2) . . . . ?
Ag1 P1 C29 C30 138.6(2) . . . . ?
Ag1 P1 C29 C34 -40.7(3) . . . . ?
Ag1 C10 C11 C12 36.6(4) . . . . ?
Ag1 C10 C11 C16 -143.8(2) . . . . ?
Ag2 P2 C51 C52 53.6(3) . . . . ?
Ag2 P2 C51 C56 -123.7(2) . . . . ?
Ag2 P2 C57 C58 28.8(3) . . . . ?
Ag2 P2 C57 C62 -151.8(2) . . . . ?
Ag2 P2 C63 C64 54.7(2) . . . . ?
Ag2 P2 C63 C68 -123.9(2) . . . . ?
Ag2 C36 C37 C38 165.7(2) . . . . ?
Ag2 C36 C37 C42 -13.1(4) . . . . ?
P1 C17 C18 C19 178.5(2) . . . . ?
P1 C17 C22 C21 -178.1(3) . . . . ?
P1 C23 C24 C25 171.8(2) . . . . ?
P1 C23 C28 C27 -172.0(2) . . . . ?
P1 C29 C30 C31 179.4(3) . . . . ?
P1 C29 C34 C33 -178.1(3) . . . . ?
P2 C51 C52 C53 -178.8(3) . . . . ?
P2 C51 C56 C55 177.7(3) . . . . ?
P2 C57 C58 C59 179.0(2) . . . . ?
P2 C57 C62 C61 -179.4(2) . . . . ?
P2 C63 C64 C65 -179.4(2) . . . . ?
P2 C63 C68 C67 178.8(3) . . . . ?
C2 C3 C4 C5 180.0(3) . . . . ?
C2 C3 C8 C7 -179.9(3) . . . . ?
C3 C4 C5 C6 0.2(5) . . . . ?
C4 C3 C8 C7 0.4(5) . . . . ?
C4 C5 C6 C7 0.0(5) . . . . ?
C5 C6 C7 C8 0.1(5) . . . . ?
C6 C7 C8 C3 -0.2(5) . . . . ?
C8 C3 C4 C5 -0.3(5) . . . . ?
C10 C11 C12 C13 -178.5(3) . . . . ?
C10 C11 C16 C15 -179.8(3) . . . . ?
C11 C12 C13 C14 -2.4(5) . . . . ?
C12 C11 C16 C15 -0.2(5) . . . . ?
C12 C13 C14 C15 1.2(5) . . . . ?
C13 C14 C15 C16 0.5(5) . . . . ?
C14 C15 C16 C11 -1.0(5) . . . . ?
C16 C11 C12 C13 1.9(5) . . . . ?
C17 P1 C23 C24 62.8(3) . . . . ?
C17 P1 C23 C28 -125.2(3) . . . . ?
C17 P1 C29 C30 11.6(3) . . . . ?
C17 P1 C29 C34 -167.7(2) . . . . ?
C17 C18 C19 C20 0.1(5) . . . . ?
C18 C17 C22 C21 0.9(5) . . . . ?
C18 C19 C20 C21 -0.1(5) . . . . ?
C19 C20 C21 C22 0.5(6) . . . . ?
C20 C21 C22 C17 -0.9(5) . . . . ?
C22 C17 C18 C19 -0.5(5) . . . . ?
C23 P1 C17 C18 31.5(3) . . . . ?
C23 P1 C17 C22 -149.5(2) . . . . ?
C23 P1 C29 C30 -100.0(3) . . . . ?
C23 P1 C29 C34 80.7(3) . . . . ?
C23 C24 C25 C26 0.3(4) . . . . ?
C24 C23 C28 C27 -0.2(4) . . . . ?
C24 C25 C26 C27 0.4(5) . . . . ?
C25 C26 C27 C28 -1.0(5) . . . . ?
C26 C27 C28 C23 0.9(5) . . . . ?
C28 C23 C24 C25 -0.4(4) . . . . ?
C29 P1 C17 C18 -79.7(3) . . . . ?
C29 P1 C17 C22 99.3(3) . . . . ?
C29 P1 C23 C24 173.5(2) . . . . ?
C29 P1 C23 C28 -14.5(3) . . . . ?
C29 C30 C31 C32 -0.6(5) . . . . ?
C30 C29 C34 C33 2.6(5) . . . . ?
C30 C31 C32 C33 1.1(5) . . . . ?
C31 C32 C33 C34 0.2(5) . . . . ?
C32 C33 C34 C29 -2.1(5) . . . . ?
C34 C29 C30 C31 -1.3(5) . . . . ?
C36 C37 C38 C39 -179.1(3) . . . . ?
C36 C37 C42 C41 178.5(3) . . . . ?
C37 C38 C39 C40 0.8(5) . . . . ?
C38 C37 C42 C41 -0.3(5) . . . . ?
C38 C39 C40 C41 -0.8(5) . . . . ?
C39 C40 C41 C42 0.2(5) . . . . ?
C40 C41 C42 C37 0.4(5) . . . . ?
C42 C37 C38 C39 -0.2(5) . . . . ?
C44 C45 C46 C47 -178.8(3) . . . . ?
C44 C45 C50 C49 178.5(3) . . . . ?
C45 C46 C47 C48 -0.1(6) . . . . ?
C46 C45 C50 C49 -1.2(5) . . . . ?
C46 C47 C48 C49 -0.5(6) . . . . ?
C47 C48 C49 C50 0.2(5) . . . . ?
C48 C49 C50 C45 0.6(5) . . . . ?
C50 C45 C46 C47 0.9(5) . . . . ?
C51 P2 C57 C58 -98.7(3) . . . . ?
C51 P2 C57 C62 80.7(3) . . . . ?
C51 P2 C63 C64 -178.7(2) . . . . ?
C51 P2 C63 C68 2.6(3) . . . . ?
C51 C52 C53 C54 1.5(5) . . . . ?
C52 C51 C56 C55 0.4(5) . . . . ?
C52 C53 C54 C55 -0.5(5) . . . . ?
C53 C54 C55 C56 -0.6(5) . . . . ?
C54 C55 C56 C51 0.6(5) . . . . ?
C56 C51 C52 C53 -1.5(5) . . . . ?
C57 P2 C51 C52 -179.1(2) . . . . ?
C57 P2 C51 C56 3.7(3) . . . . ?
C57 P2 C63 C64 -70.0(2) . . . . ?
C57 P2 C63 C68 111.3(3) . . . . ?
C57 C58 C59 C60 0.6(5) . . . . ?
C58 C57 C62 C61 0.0(4) . . . . ?
C58 C59 C60 C61 -0.5(5) . . . . ?
C59 C60 C61 C62 0.1(5) . . . . ?
C60 C61 C62 C57 0.2(5) . . . . ?
C62 C57 C58 C59 -0.4(5) . . . . ?
C63 P2 C51 C52 -70.8(3) . . . . ?
C63 P2 C51 C56 111.9(3) . . . . ?
C63 P2 C57 C58 151.6(2) . . . . ?
C63 P2 C57 C62 -29.0(3) . . . . ?
C63 C64 C65 C66 0.7(5) . . . . ?
C64 C63 C68 C67 0.2(5) . . . . ?
C64 C65 C66 C67 -0.2(5) . . . . ?
C65 C66 C67 C68 -0.2(5) . . . . ?
C66 C67 C68 C63 0.2(5) . . . . ?
C68 C63 C64 C65 -0.7(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.313
_oxdiff_exptl_absorpt_empirical_full_min 0.693
####################################################################### 
# 
# 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_mx11069
_database_code_depnum_ccdc_archive 'CCDC 2390750'
loop_
_audit_author_name
_audit_author_address
'Zhixun Luo'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2024-10-14 deposited with the CCDC.	2025-02-17 downloaded from the CCDC.
;
_audit_creation_date             2023-10-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '3(C26 H20 Au P), C H2 Cl2'
_chemical_formula_sum            'C79 H62 Au3 Cl2 P3'
_chemical_formula_weight         1765.99
_chemical_melting_point          ?
_chemical_oxdiff_formula         AuCuPCHOCl
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   13.1746(8)
_cell_length_b                   12.7141(8)
_cell_length_c                   39.686(4)
_cell_angle_alpha                90
_cell_angle_beta                 94.670(7)
_cell_angle_gamma                90
_cell_volume                     6625.5(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5379
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      27.7380
_cell_measurement_theta_min      1.9080
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.824
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47711
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3408
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1156
_diffrn_reflns_av_unetI/netI     0.1321
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.833
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_number            49079
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.833
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.094
_diffrn_reflns_theta_min         1.673
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.833
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -68.00  56.00   0.50    5.32    --  -10.70  45.00  90.00  248
  2  ω    -74.00  66.00   0.50    5.32    --  -10.70  45.00 176.94  280
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0375897000
_diffrn_orient_matrix_UB_12      0.0381777000
_diffrn_orient_matrix_UB_13      -0.0029730000
_diffrn_orient_matrix_UB_21      -0.0035256000
_diffrn_orient_matrix_UB_22      0.0207730000
_diffrn_orient_matrix_UB_23      0.0164904000
_diffrn_orient_matrix_UB_31      0.0387242000
_diffrn_orient_matrix_UB_32      -0.0348583000
_diffrn_orient_matrix_UB_33      0.0063878000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10736
_reflns_number_total             17752
_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       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_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         5.536
_refine_diff_density_min         -7.314
_refine_diff_density_rms         0.370
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     784
_refine_ls_number_reflns         17752
_refine_ls_number_restraints     474
_refine_ls_R_factor_all          0.2070
_refine_ls_R_factor_gt           0.1560
_refine_ls_restrained_S_all      1.085
_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)+(0.1134P)²+438.5848P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3465
_refine_ls_wR_factor_ref         0.3686
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C4) \\sim
Ueq, Uanis(C5) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C8)
\\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C11) \\sim Ueq,
Uanis(C12) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C15)
\\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq,
Uanis(C19) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C22)
\\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C25) \\sim Ueq,
Uanis(C26) \\sim Ueq, Uanis(C1A) \\sim Ueq, Uanis(C2A) \\sim Ueq, Uanis(C3A)
\\sim Ueq, Uanis(C4A) \\sim Ueq, Uanis(C5A) \\sim Ueq, Uanis(C6A) \\sim Ueq,
Uanis(C7A) \\sim Ueq, Uanis(C8A) \\sim Ueq, Uanis(C9A) \\sim Ueq, Uanis(C10A)
\\sim Ueq, Uanis(C11A) \\sim Ueq, Uanis(C12A) \\sim Ueq, Uanis(C13A) \\sim Ueq,
Uanis(C14A) \\sim Ueq, Uanis(C15A) \\sim Ueq, Uanis(C16A) \\sim Ueq,
Uanis(C17A) \\sim Ueq, Uanis(C18A) \\sim Ueq, Uanis(C19A) \\sim Ueq,
Uanis(C20A) \\sim Ueq, Uanis(C21A) \\sim Ueq, Uanis(C22A) \\sim Ueq,
Uanis(C23A) \\sim Ueq, Uanis(C24A) \\sim Ueq, Uanis(C25A) \\sim Ueq,
Uanis(C26A) \\sim Ueq, Uanis(C1B) \\sim Ueq, Uanis(C2B) \\sim Ueq, Uanis(C3B)
\\sim Ueq, Uanis(C4B) \\sim Ueq, Uanis(C5B) \\sim Ueq, Uanis(C6B) \\sim Ueq,
Uanis(C7B) \\sim Ueq, Uanis(C8B) \\sim Ueq, Uanis(C9B) \\sim Ueq, Uanis(C10B)
\\sim Ueq, Uanis(C11B) \\sim Ueq, Uanis(C12B) \\sim Ueq, Uanis(C13B) \\sim Ueq,
Uanis(C14B) \\sim Ueq, Uanis(C15B) \\sim Ueq, Uanis(C16B) \\sim Ueq,
Uanis(C17B) \\sim Ueq, Uanis(C18B) \\sim Ueq, Uanis(C19B) \\sim Ueq,
Uanis(C20B) \\sim Ueq, Uanis(C21B) \\sim Ueq, Uanis(C22B) \\sim Ueq,
Uanis(C23B) \\sim Ueq, Uanis(C24B) \\sim Ueq, Uanis(C25B) \\sim Ueq,
Uanis(C26B) \\sim Ueq, Uanis(C27) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C27(H27A,H27B)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C22(H22), C23(H23),
  C24(H24), C25(H25), C26(H26), C2A(H2A), C3A(H3A), C4A(H4A), C5A(H5A),
 C6A(H6A), C8A(H8A), C9A(H9A), C10A(H10A), C11A(H11A), C12A(H12A), C14A(H14A),
 C15A(H15A), C16A(H16A), C17A(H17A), C18A(H18A), C22A(H22A), C23A(H23A),
 C24A(H24A), C25A(H25A), C26A(H26A), C2B(H2B), C3B(H3B), C4B(H4B), C5B(H5B),
 C6B(H6B), C8B(H8B), C9B(H9B), C10B(H10B), C11B(H11B), C12B(H12B), C14B(H14B),
 C15B(H15B), C16B(H16B), C17B(H17B), C18B(H18B), C22B(H22B), C23B(H23B),
 C24B(H24B), C25B(H25B), C26B(H26B)
;
_atom_sites_solution_hydrogens   geom
_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 1.09468(6) 0.12342(8) 0.74463(2) 0.0413(3) Uani 1 1 d . . . . .
P1 P 1.2278(4) 0.0148(5) 0.73743(16) 0.0377(13) Uani 1 1 d . . . . .
C1 C 1.2015(19) -0.087(2) 0.7062(6) 0.046(6) Uani 1 1 d . U . . .
C2 C 1.1085(19) -0.090(2) 0.6875(6) 0.046(6) Uani 1 1 d . U . . .
H2 H 1.059930 -0.039046 0.690806 0.055 Uiso 1 1 calc R U . . .
C3 C 1.086(2) -0.169(2) 0.6639(7) 0.057(7) Uani 1 1 d . U . . .
H3 H 1.025849 -0.165471 0.649996 0.068 Uiso 1 1 calc R U . . .
C4 C 1.151(2) -0.250(2) 0.6608(7) 0.054(6) Uani 1 1 d . U . . .
H4 H 1.133841 -0.305733 0.646388 0.064 Uiso 1 1 calc R U . . .
C5 C 1.2460(19) -0.248(2) 0.6797(6) 0.046(6) Uani 1 1 d . U . . .
H5 H 1.294190 -0.299392 0.676243 0.055 Uiso 1 1 calc R U . . .
C6 C 1.2674(16) -0.1725(18) 0.7026(6) 0.038(5) Uani 1 1 d . U . . .
H6 H 1.327423 -0.176717 0.716528 0.046 Uiso 1 1 calc R U . . .
C7 C 1.2654(17) -0.0558(19) 0.7753(6) 0.039(5) Uani 1 1 d . U . . .
C8 C 1.194(2) -0.084(2) 0.7970(7) 0.053(6) Uani 1 1 d . U . . .
H8 H 1.127712 -0.058872 0.792823 0.063 Uiso 1 1 calc R U . . .
C9 C 1.217(2) -0.148(2) 0.8251(8) 0.065(8) Uani 1 1 d . U . . .
H9 H 1.167071 -0.169075 0.838929 0.078 Uiso 1 1 calc R U . . .
C10 C 1.319(2) -0.180(2) 0.8314(7) 0.057(7) Uani 1 1 d . U . . .
H10 H 1.336610 -0.218098 0.850958 0.068 Uiso 1 1 calc R U . . .
C11 C 1.393(2) -0.157(2) 0.8105(7) 0.060(7) Uani 1 1 d . U . . .
H11 H 1.458461 -0.184462 0.814584 0.072 Uiso 1 1 calc R U . . .
C12 C 1.3678(19) -0.092(2) 0.7830(6) 0.046(6) Uani 1 1 d . U . . .
H12 H 1.418180 -0.072329 0.769214 0.056 Uiso 1 1 calc R U . . .
C13 C 1.3403(17) 0.082(2) 0.7241(6) 0.043(5) Uani 1 1 d . U . . .
C14 C 1.3702(18) 0.0755(19) 0.6924(6) 0.043(5) Uani 1 1 d . U . . .
H14 H 1.335618 0.031138 0.676749 0.051 Uiso 1 1 calc R U . . .
C15 C 1.4525(18) 0.134(2) 0.6831(7) 0.047(6) Uani 1 1 d . U . . .
H15 H 1.474717 0.127821 0.661541 0.056 Uiso 1 1 calc R U . . .
C16 C 1.5016(19) 0.204(2) 0.7067(7) 0.048(6) Uani 1 1 d . U . . .
H16 H 1.555781 0.245365 0.700736 0.058 Uiso 1 1 calc R U . . .
C17 C 1.4697(18) 0.2111(19) 0.7378(6) 0.044(5) Uani 1 1 d . U . . .
H17 H 1.501711 0.256928 0.753561 0.053 Uiso 1 1 calc R U . . .
C18 C 1.3801(19) 0.143(2) 0.7476(7) 0.057(6) Uani 1 1 d . U . . .
H18 H 1.356319 0.145452 0.768980 0.068 Uiso 1 1 calc R U . . .
C19 C 0.981(2) 0.218(2) 0.7520(7) 0.052(6) Uani 1 1 d . U . . .
C20 C 0.9150(19) 0.2813(19) 0.7595(6) 0.044(5) Uani 1 1 d . U . . .
C21 C 0.839(2) 0.358(2) 0.7674(7) 0.053(6) Uani 1 1 d . U . . .
C22 C 0.7433(19) 0.321(2) 0.7774(6) 0.049(6) Uani 1 1 d . U . . .
H22 H 0.729943 0.249171 0.778484 0.059 Uiso 1 1 calc R U . . .
C23 C 0.670(2) 0.396(2) 0.7855(7) 0.056(7) Uani 1 1 d . U . . .
H23 H 0.605619 0.374602 0.791086 0.068 Uiso 1 1 calc R U . . .
C24 C 0.693(2) 0.496(2) 0.7850(7) 0.051(6) Uani 1 1 d . U . . .
H24 H 0.643890 0.544266 0.790855 0.062 Uiso 1 1 calc R U . . .
C25 C 0.784(2) 0.534(2) 0.7766(7) 0.058(7) Uani 1 1 d . U . . .
H25 H 0.796686 0.605826 0.776422 0.070 Uiso 1 1 calc R U . . .
C26 C 0.856(2) 0.462(2) 0.7682(6) 0.049(6) Uani 1 1 d . U . . .
H26 H 0.919481 0.486263 0.762971 0.059 Uiso 1 1 calc R U . . .
Au1A Au 0.60521(6) 0.35345(7) 0.58301(3) 0.0425(3) Uani 1 1 d . . . . .
P1A P 0.7393(5) 0.4596(5) 0.57292(17) 0.0449(15) Uani 1 1 d . . . . .
C1A C 0.7038(19) 0.562(2) 0.5425(6) 0.046(6) Uani 1 1 d . U . . .
C2A C 0.599(2) 0.569(2) 0.5296(6) 0.049(6) Uani 1 1 d . U . . .
H2A H 0.551114 0.522322 0.537001 0.059 Uiso 1 1 calc R U . . .
C3A C 0.5701(19) 0.6460(19) 0.5060(6) 0.046(6) Uani 1 1 d . U . . .
H3A H 0.501875 0.650737 0.497952 0.055 Uiso 1 1 calc R U . . .
C4A C 0.6380(18) 0.715(2) 0.4940(6) 0.045(6) Uani 1 1 d . U . . .
H4A H 0.617233 0.765426 0.477777 0.055 Uiso 1 1 calc R U . . .
C5A C 0.740(2) 0.708(2) 0.5069(6) 0.048(6) Uani 1 1 d . U . . .
H5A H 0.787446 0.754079 0.498898 0.058 Uiso 1 1 calc R U . . .
C6A C 0.7716(18) 0.634(2) 0.5313(6) 0.046(5) Uani 1 1 d . U . . .
H6A H 0.839132 0.633748 0.540175 0.055 Uiso 1 1 calc R U . . .
C7A C 0.8394(19) 0.3871(19) 0.5556(6) 0.045(5) Uani 1 1 d . U . . .
C8A C 0.829(2) 0.285(2) 0.5472(6) 0.048(6) Uani 1 1 d . U . . .
H8A H 0.769588 0.250138 0.551854 0.058 Uiso 1 1 calc R U . . .
C9A C 0.901(3) 0.230(3) 0.5322(8) 0.076(9) Uani 1 1 d . U . . .
H9A H 0.890160 0.159584 0.526733 0.091 Uiso 1 1 calc R U . . .
C10A C 0.991(2) 0.278(2) 0.5252(7) 0.059(7) Uani 1 1 d . U . . .
H10A H 1.037418 0.240629 0.513543 0.071 Uiso 1 1 calc R U . . .
C11A C 1.011(2) 0.378(2) 0.5347(7) 0.056(7) Uani 1 1 d . U . . .
H11A H 1.075131 0.407135 0.532304 0.067 Uiso 1 1 calc R U . . .
C12A C 0.935(2) 0.436(3) 0.5483(7) 0.062(7) Uani 1 1 d . U . . .
H12A H 0.945325 0.506865 0.552778 0.075 Uiso 1 1 calc R U . . .
C13A C 0.8001(16) 0.5302(17) 0.6093(6) 0.037(5) Uani 1 1 d . U . . .
C14A C 0.7573(17) 0.6225(18) 0.6199(6) 0.040(5) Uani 1 1 d . U . . .
H14A H 0.698286 0.647973 0.608179 0.048 Uiso 1 1 calc R U . . .
C15A C 0.799(2) 0.677(2) 0.6469(6) 0.051(6) Uani 1 1 d . U . . .
H15A H 0.771612 0.740690 0.652689 0.061 Uiso 1 1 calc R U . . .
C16A C 0.884(2) 0.637(2) 0.6659(7) 0.057(7) Uani 1 1 d . U . . .
H16A H 0.910965 0.671699 0.685177 0.069 Uiso 1 1 calc R U . . .
C17A C 0.928(2) 0.544(2) 0.6557(7) 0.054(6) Uani 1 1 d . U . . .
H17A H 0.984296 0.515534 0.668088 0.065 Uiso 1 1 calc R U . . .
C18A C 0.887(2) 0.494(2) 0.6275(7) 0.052(6) Uani 1 1 d . U . . .
H18A H 0.918845 0.434049 0.620081 0.063 Uiso 1 1 calc R U . . .
C19A C 0.4857(15) 0.2655(14) 0.5895(5) 0.030(4) Uani 1 1 d . U . . .
C20A C 0.4137(19) 0.2015(19) 0.5923(6) 0.044(5) Uani 1 1 d . U . . .
C21A C 0.3289(17) 0.1322(17) 0.5935(6) 0.039(5) Uani 1 1 d . U . . .
C22A C 0.227(2) 0.172(2) 0.5862(7) 0.052(6) Uani 1 1 d . U . . .
H22A H 0.215246 0.242460 0.580437 0.063 Uiso 1 1 calc R U . . .
C23A C 0.1452(19) 0.102(2) 0.5879(6) 0.051(6) Uani 1 1 d . U . . .
H23A H 0.078266 0.124736 0.583460 0.061 Uiso 1 1 calc R U . . .
C24A C 0.169(3) -0.008(3) 0.5970(8) 0.073(9) Uani 1 1 d . U . . .
H24A H 0.115663 -0.055893 0.597943 0.087 Uiso 1 1 calc R U . . .
C25A C 0.263(2) -0.040(3) 0.6037(7) 0.065(8) Uani 1 1 d . U . . .
H25A H 0.277037 -0.109200 0.609762 0.078 Uiso 1 1 calc R U . . .
C26A C 0.3404(18) 0.0305(19) 0.6018(6) 0.045(5) Uani 1 1 d . U . . .
H26A H 0.406472 0.005975 0.606658 0.054 Uiso 1 1 calc R U . . .
Au1B Au -0.11934(6) 0.83363(8) 0.58468(2) 0.0459(3) Uani 1 1 d . . . . .
P1B P -0.2513(4) 0.9479(6) 0.58886(16) 0.0433(14) Uani 1 1 d . . . . .
C1B C -0.2933(18) 1.001(2) 0.5474(6) 0.044(5) Uani 1 1 d . U . . .
C2B C -0.237(2) 0.984(2) 0.5206(7) 0.056(7) Uani 1 1 d . U . . .
H2B H -0.177693 0.943847 0.523915 0.067 Uiso 1 1 calc R U . . .
C3B C -0.264(2) 1.023(2) 0.4889(7) 0.059(7) Uani 1 1 d . U . . .
H3B H -0.223674 1.010907 0.471005 0.071 Uiso 1 1 calc R U . . .
C4B C -0.353(2) 1.083(2) 0.4846(7) 0.060(7) Uani 1 1 d . U . . .
H4B H -0.373299 1.112085 0.463585 0.072 Uiso 1 1 calc R U . . .
C5B C -0.410(2) 1.098(2) 0.5108(7) 0.059(7) Uani 1 1 d . U . . .
H5B H -0.470767 1.134908 0.507061 0.071 Uiso 1 1 calc R U . . .
C6B C -0.3839(18) 1.0609(19) 0.5427(6) 0.042(5) Uani 1 1 d . U . . .
H6B H -0.423691 1.074747 0.560481 0.051 Uiso 1 1 calc R U . . .
C7B C -0.2180(18) 1.0583(19) 0.6158(6) 0.042(5) Uani 1 1 d . U . . .
C8B C -0.117(2) 1.070(2) 0.6278(6) 0.051(6) Uani 1 1 d . U . . .
H8B H -0.067044 1.023071 0.622074 0.061 Uiso 1 1 calc R U . . .
C9B C -0.091(2) 1.157(2) 0.6490(7) 0.052(6) Uani 1 1 d . U . . .
H9B H -0.023734 1.165648 0.657111 0.062 Uiso 1 1 calc R U . . .
C10B C -0.163(2) 1.229(2) 0.6583(7) 0.057(7) Uani 1 1 d . U . . .
H10B H -0.143494 1.287088 0.671773 0.069 Uiso 1 1 calc R U . . .
C11B C -0.267(2) 1.213(2) 0.6466(6) 0.049(6) Uani 1 1 d . U . . .
H11B H -0.318222 1.258066 0.652885 0.059 Uiso 1 1 calc R U . . .
C12B C -0.290(2) 1.129(2) 0.6259(7) 0.054(6) Uani 1 1 d . U . . .
H12B H -0.357768 1.118478 0.618112 0.064 Uiso 1 1 calc R U . . .
C13B C -0.3629(17) 0.8904(19) 0.6040(6) 0.042(5) Uani 1 1 d . U . . .
C14B C -0.4240(19) 0.8185(19) 0.5814(6) 0.044(5) Uani 1 1 d . U . . .
H14B H -0.405216 0.807038 0.559654 0.053 Uiso 1 1 calc R U . . .
C15B C -0.5068(18) 0.7688(18) 0.5917(6) 0.043(5) Uani 1 1 d . U . . .
H15B H -0.547637 0.728496 0.576503 0.051 Uiso 1 1 calc R U . . .
C16B C -0.530(2) 0.778(2) 0.6247(7) 0.056(7) Uani 1 1 d . U . . .
H16B H -0.587137 0.743265 0.631664 0.067 Uiso 1 1 calc R U . . .
C17B C -0.470(2) 0.839(2) 0.6479(7) 0.051(6) Uani 1 1 d . U . . .
H17B H -0.484144 0.842222 0.670434 0.062 Uiso 1 1 calc R U . . .
C18B C -0.3871(18) 0.897(2) 0.6369(6) 0.046(6) Uani 1 1 d . U . . .
H18B H -0.348543 0.939244 0.652052 0.055 Uiso 1 1 calc R U . . .
C19B C -0.0010(19) 0.739(2) 0.5795(6) 0.050(6) Uani 1 1 d . U . . .
C20B C 0.0712(18) 0.686(2) 0.5757(6) 0.045(5) Uani 1 1 d . U . . .
C21B C 0.1580(15) 0.6201(17) 0.5714(5) 0.035(4) Uani 1 1 d . U . . .
C22B C 0.216(2) 0.637(2) 0.5452(7) 0.061(7) Uani 1 1 d . U . . .
H22B H 0.198534 0.690168 0.529600 0.073 Uiso 1 1 calc R U . . .
C23B C 0.302(2) 0.573(2) 0.5417(7) 0.061(7) Uani 1 1 d . U . . .
H23B H 0.339723 0.584224 0.523273 0.073 Uiso 1 1 calc R U . . .
C24B C 0.331(2) 0.496(2) 0.5642(7) 0.053(6) Uani 1 1 d . U . . .
H24B H 0.391133 0.459045 0.561885 0.063 Uiso 1 1 calc R U . . .
C25B C 0.274(2) 0.474(2) 0.5902(7) 0.061(7) Uani 1 1 d . U . . .
H25B H 0.287685 0.416648 0.604353 0.074 Uiso 1 1 calc R U . . .
C26B C 0.188(2) 0.545(2) 0.5945(7) 0.057(7) Uani 1 1 d . U . . .
H26B H 0.153359 0.538719 0.613832 0.068 Uiso 1 1 calc R U . . .
Cl1 Cl 0.9977(8) 0.0069(11) 0.8502(3) 0.113(4) Uani 1 1 d . . . . .
Cl2 Cl 0.8177(9) -0.0470(9) 0.8068(3) 0.107(3) Uani 1 1 d . . . . .
C27 C 0.912(3) 0.049(3) 0.8161(9) 0.085(10) Uani 1 1 d . U . . .
H27A H 0.880189 0.114544 0.822063 0.103 Uiso 1 1 calc R U . . .
H27B H 0.948970 0.061435 0.796365 0.103 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 2.268(6) . ?
Au1 C19 1.96(3) . ?
P1 C1 1.80(3) . ?
P1 C7 1.79(2) . ?
P1 C13 1.83(2) . ?
C1 C2 1.38(3) . ?
C1 C6 1.41(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.38(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.36(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.40(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.33(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.37(3) . ?
C7 C12 1.44(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.40(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.40(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.36(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.39(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.35(3) . ?
C13 C18 1.29(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.39(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.41(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.34(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.54(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.24(4) . ?
C20 C21 1.46(4) . ?
C21 C22 1.43(4) . ?
C21 C26 1.34(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.42(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.31(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.36(4) . ?
C25 H25 0.9300 . ?
C25 C26 1.38(4) . ?
C26 H26 0.9300 . ?
Au1A P1A 2.285(6) . ?
Au1A C19A 1.965(18) . ?
P1A C1A 1.81(3) . ?
P1A C7A 1.79(3) . ?
P1A C13A 1.83(2) . ?
C1A C2A 1.44(3) . ?
C1A C6A 1.38(3) . ?
C2A H2A 0.9300 . ?
C2A C3A 1.39(3) . ?
C3A H3A 0.9300 . ?
C3A C4A 1.37(3) . ?
C4A H4A 0.9300 . ?
C4A C5A 1.40(3) . ?
C5A H5A 0.9300 . ?
C5A C6A 1.39(3) . ?
C6A H6A 0.9300 . ?
C7A C8A 1.35(3) . ?
C7A C12A 1.45(4) . ?
C8A H8A 0.9300 . ?
C8A C9A 1.35(4) . ?
C9A H9A 0.9300 . ?
C9A C10A 1.38(4) . ?
C10A H10A 0.9300 . ?
C10A C11A 1.35(4) . ?
C11A H11A 0.9300 . ?
C11A C12A 1.39(4) . ?
C12A H12A 0.9300 . ?
C13A C14A 1.38(3) . ?
C13A C18A 1.38(3) . ?
C14A H14A 0.9300 . ?
C14A C15A 1.35(3) . ?
C15A H15A 0.9300 . ?
C15A C16A 1.39(4) . ?
C16A H16A 0.9300 . ?
C16A C17A 1.39(4) . ?
C17A H17A 0.9300 . ?
C17A C18A 1.36(4) . ?
C18A H18A 0.9300 . ?
C19A C20A 1.26(3) . ?
C20A C21A 1.43(3) . ?
C21A C22A 1.45(3) . ?
C21A C26A 1.34(3) . ?
C22A H22A 0.9300 . ?
C22A C23A 1.40(4) . ?
C23A H23A 0.9300 . ?
C23A C24A 1.47(4) . ?
C24A H24A 0.9300 . ?
C24A C25A 1.32(4) . ?
C25A H25A 0.9300 . ?
C25A C26A 1.36(4) . ?
C26A H26A 0.9300 . ?
Au1B P1B 2.282(7) . ?
Au1B C19B 2.00(3) . ?
P1B C1B 1.82(3) . ?
P1B C7B 1.80(3) . ?
P1B C13B 1.79(2) . ?
C1B C2B 1.36(3) . ?
C1B C6B 1.42(3) . ?
C2B H2B 0.9300 . ?
C2B C3B 1.37(4) . ?
C3B H3B 0.9300 . ?
C3B C4B 1.40(4) . ?
C4B H4B 0.9300 . ?
C4B C5B 1.35(4) . ?
C5B H5B 0.9300 . ?
C5B C6B 1.37(4) . ?
C6B H6B 0.9300 . ?
C7B C8B 1.39(3) . ?
C7B C12B 1.39(3) . ?
C8B H8B 0.9300 . ?
C8B C9B 1.40(4) . ?
C9B H9B 0.9300 . ?
C9B C10B 1.39(4) . ?
C10B H10B 0.9300 . ?
C10B C11B 1.43(4) . ?
C11B H11B 0.9300 . ?
C11B C12B 1.36(4) . ?
C12B H12B 0.9300 . ?
C13B C14B 1.47(3) . ?
C13B C18B 1.37(3) . ?
C14B H14B 0.9300 . ?
C14B C15B 1.35(3) . ?
C15B H15B 0.9300 . ?
C15B C16B 1.37(3) . ?
C16B H16B 0.9300 . ?
C16B C17B 1.41(4) . ?
C17B H17B 0.9300 . ?
C17B C18B 1.41(3) . ?
C18B H18B 0.9300 . ?
C19B C20B 1.18(3) . ?
C20B C21B 1.44(3) . ?
C21B C22B 1.36(4) . ?
C21B C26B 1.36(4) . ?
C22B H22B 0.9300 . ?
C22B C23B 1.41(4) . ?
C23B H23B 0.9300 . ?
C23B C24B 1.36(4) . ?
C24B H24B 0.9300 . ?
C24B C25B 1.36(4) . ?
C25B H25B 0.9300 . ?
C25B C26B 1.47(4) . ?
C26B H26B 0.9300 . ?
Cl1 C27 1.77(4) . ?
Cl2 C27 1.76(4) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?

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
C19 Au1 P1 178.6(8) . . ?
C1 P1 Au1 114.5(9) . . ?
C1 P1 C13 104.6(11) . . ?
C7 P1 Au1 111.4(8) . . ?
C7 P1 C1 104.1(11) . . ?
C7 P1 C13 107.7(11) . . ?
C13 P1 Au1 113.8(8) . . ?
C2 C1 P1 120(2) . . ?
C2 C1 C6 117(2) . . ?
C6 C1 P1 122.6(18) . . ?
C1 C2 H2 119.4 . . ?
C1 C2 C3 121(2) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 121(3) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 120.6 . . ?
C3 C4 C5 119(3) . . ?
C5 C4 H4 120.6 . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120(2) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 H6 119.1 . . ?
C5 C6 C1 122(2) . . ?
C5 C6 H6 119.1 . . ?
C8 C7 P1 120.0(19) . . ?
C8 C7 C12 118(2) . . ?
C12 C7 P1 122.2(18) . . ?
C7 C8 H8 118.8 . . ?
C7 C8 C9 122(3) . . ?
C9 C8 H8 118.8 . . ?
C8 C9 H9 121.5 . . ?
C8 C9 C10 117(3) . . ?
C10 C9 H9 121.5 . . ?
C9 C10 H10 118.2 . . ?
C11 C10 C9 124(3) . . ?
C11 C10 H10 118.2 . . ?
C10 C11 H11 121.1 . . ?
C10 C11 C12 118(3) . . ?
C12 C11 H11 121.1 . . ?
C7 C12 H12 119.3 . . ?
C11 C12 C7 121(2) . . ?
C11 C12 H12 119.3 . . ?
C14 C13 P1 122.9(19) . . ?
C18 C13 P1 111(2) . . ?
C18 C13 C14 125(3) . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120(2) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 120.4 . . ?
C14 C15 C16 119(2) . . ?
C16 C15 H15 120.4 . . ?
C15 C16 H16 120.3 . . ?
C17 C16 C15 119(2) . . ?
C17 C16 H16 120.3 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120(2) . . ?
C18 C17 H17 120.0 . . ?
C13 C18 C17 115(3) . . ?
C13 C18 H18 122.3 . . ?
C17 C18 H18 122.3 . . ?
C20 C19 Au1 174(2) . . ?
C19 C20 C21 178(3) . . ?
C22 C21 C20 118(2) . . ?
C26 C21 C20 123(3) . . ?
C26 C21 C22 119(3) . . ?
C21 C22 H22 121.0 . . ?
C23 C22 C21 118(3) . . ?
C23 C22 H22 121.0 . . ?
C22 C23 H23 120.4 . . ?
C24 C23 C22 119(3) . . ?
C24 C23 H23 120.4 . . ?
C23 C24 H24 118.0 . . ?
C23 C24 C25 124(3) . . ?
C25 C24 H24 118.0 . . ?
C24 C25 H25 121.2 . . ?
C24 C25 C26 118(3) . . ?
C26 C25 H25 121.2 . . ?
C21 C26 C25 122(3) . . ?
C21 C26 H26 118.8 . . ?
C25 C26 H26 118.8 . . ?
C19A Au1A P1A 176.9(6) . . ?
C1A P1A Au1A 112.3(8) . . ?
C1A P1A C13A 104.2(11) . . ?
C7A P1A Au1A 111.6(8) . . ?
C7A P1A C1A 105.8(12) . . ?
C7A P1A C13A 105.5(11) . . ?
C13A P1A Au1A 116.5(8) . . ?
C2A C1A P1A 118.0(19) . . ?
C6A C1A P1A 123.7(19) . . ?
C6A C1A C2A 118(2) . . ?
C1A C2A H2A 120.5 . . ?
C3A C2A C1A 119(2) . . ?
C3A C2A H2A 120.5 . . ?
C2A C3A H3A 118.7 . . ?
C4A C3A C2A 123(2) . . ?
C4A C3A H3A 118.7 . . ?
C3A C4A H4A 121.1 . . ?
C3A C4A C5A 118(2) . . ?
C5A C4A H4A 121.1 . . ?
C4A C5A H5A 119.2 . . ?
C6A C5A C4A 122(2) . . ?
C6A C5A H5A 119.2 . . ?
C1A C6A C5A 121(2) . . ?
C1A C6A H6A 119.7 . . ?
C5A C6A H6A 119.7 . . ?
C8A C7A P1A 122(2) . . ?
C8A C7A C12A 116(3) . . ?
C12A C7A P1A 122(2) . . ?
C7A C8A H8A 118.5 . . ?
C7A C8A C9A 123(3) . . ?
C9A C8A H8A 118.5 . . ?
C8A C9A H9A 119.8 . . ?
C8A C9A C10A 120(3) . . ?
C10A C9A H9A 119.8 . . ?
C9A C10A H10A 119.4 . . ?
C11A C10A C9A 121(3) . . ?
C11A C10A H10A 119.4 . . ?
C10A C11A H11A 121.0 . . ?
C10A C11A C12A 118(3) . . ?
C12A C11A H11A 121.0 . . ?
C7A C12A H12A 119.4 . . ?
C11A C12A C7A 121(3) . . ?
C11A C12A H12A 119.4 . . ?
C14A C13A P1A 119.6(17) . . ?
C14A C13A C18A 118(2) . . ?
C18A C13A P1A 122.7(19) . . ?
C13A C14A H14A 119.3 . . ?
C15A C14A C13A 121(2) . . ?
C15A C14A H14A 119.3 . . ?
C14A C15A H15A 119.9 . . ?
C14A C15A C16A 120(3) . . ?
C16A C15A H15A 119.9 . . ?
C15A C16A H16A 120.5 . . ?
C17A C16A C15A 119(3) . . ?
C17A C16A H16A 120.5 . . ?
C16A C17A H17A 120.3 . . ?
C18A C17A C16A 119(3) . . ?
C18A C17A H17A 120.3 . . ?
C13A C18A H18A 118.9 . . ?
C17A C18A C13A 122(3) . . ?
C17A C18A H18A 118.9 . . ?
C20A C19A Au1A 174.1(19) . . ?
C19A C20A C21A 176(3) . . ?
C20A C21A C22A 120(2) . . ?
C26A C21A C20A 122(2) . . ?
C26A C21A C22A 118(2) . . ?
C21A C22A H22A 121.0 . . ?
C23A C22A C21A 118(2) . . ?
C23A C22A H22A 121.0 . . ?
C22A C23A H23A 121.0 . . ?
C22A C23A C24A 118(3) . . ?
C24A C23A H23A 121.0 . . ?
C23A C24A H24A 119.4 . . ?
C25A C24A C23A 121(3) . . ?
C25A C24A H24A 119.4 . . ?
C24A C25A H25A 120.4 . . ?
C24A C25A C26A 119(3) . . ?
C26A C25A H25A 120.4 . . ?
C21A C26A C25A 125(3) . . ?
C21A C26A H26A 117.4 . . ?
C25A C26A H26A 117.4 . . ?
C19B Au1B P1B 177.2(8) . . ?
C1B P1B Au1B 110.3(8) . . ?
C7B P1B Au1B 113.0(8) . . ?
C7B P1B C1B 106.9(11) . . ?
C13B P1B Au1B 114.6(9) . . ?
C13B P1B C1B 104.9(11) . . ?
C13B P1B C7B 106.6(11) . . ?
C2B C1B P1B 120(2) . . ?
C2B C1B C6B 119(2) . . ?
C6B C1B P1B 120.6(18) . . ?
C1B C2B H2B 118.6 . . ?
C1B C2B C3B 123(3) . . ?
C3B C2B H2B 118.6 . . ?
C2B C3B H3B 121.3 . . ?
C2B C3B C4B 117(3) . . ?
C4B C3B H3B 121.3 . . ?
C3B C4B H4B 120.1 . . ?
C5B C4B C3B 120(3) . . ?
C5B C4B H4B 120.1 . . ?
C4B C5B H5B 118.2 . . ?
C4B C5B C6B 124(3) . . ?
C6B C5B H5B 118.2 . . ?
C1B C6B H6B 121.5 . . ?
C5B C6B C1B 117(2) . . ?
C5B C6B H6B 121.5 . . ?
C8B C7B P1B 118.1(19) . . ?
C12B C7B P1B 122.5(19) . . ?
C12B C7B C8B 119(2) . . ?
C7B C8B H8B 121.1 . . ?
C7B C8B C9B 118(3) . . ?
C9B C8B H8B 121.1 . . ?
C8B C9B H9B 118.4 . . ?
C10B C9B C8B 123(3) . . ?
C10B C9B H9B 118.4 . . ?
C9B C10B H10B 121.0 . . ?
C9B C10B C11B 118(3) . . ?
C11B C10B H10B 121.0 . . ?
C10B C11B H11B 121.1 . . ?
C12B C11B C10B 118(3) . . ?
C12B C11B H11B 121.1 . . ?
C7B C12B H12B 118.0 . . ?
C11B C12B C7B 124(3) . . ?
C11B C12B H12B 118.0 . . ?
C14B C13B P1B 118.2(18) . . ?
C18B C13B P1B 123.9(18) . . ?
C18B C13B C14B 117(2) . . ?
C13B C14B H14B 119.3 . . ?
C15B C14B C13B 121(2) . . ?
C15B C14B H14B 119.3 . . ?
C14B C15B H15B 120.0 . . ?
C14B C15B C16B 120(2) . . ?
C16B C15B H15B 120.0 . . ?
C15B C16B H16B 119.7 . . ?
C15B C16B C17B 121(2) . . ?
C17B C16B H16B 119.7 . . ?
C16B C17B H17B 120.2 . . ?
C16B C17B C18B 120(2) . . ?
C18B C17B H17B 120.2 . . ?
C13B C18B C17B 121(2) . . ?
C13B C18B H18B 119.6 . . ?
C17B C18B H18B 119.6 . . ?
C20B C19B Au1B 177(3) . . ?
C19B C20B C21B 178(3) . . ?
C22B C21B C20B 120(2) . . ?
C22B C21B C26B 119(2) . . ?
C26B C21B C20B 122(2) . . ?
C21B C22B H22B 120.4 . . ?
C21B C22B C23B 119(3) . . ?
C23B C22B H22B 120.4 . . ?
C22B C23B H23B 118.7 . . ?
C24B C23B C22B 123(3) . . ?
C24B C23B H23B 118.7 . . ?
C23B C24B H24B 120.0 . . ?
C25B C24B C23B 120(3) . . ?
C25B C24B H24B 120.0 . . ?
C24B C25B H25B 121.9 . . ?
C24B C25B C26B 116(3) . . ?
C26B C25B H25B 121.9 . . ?
C21B C26B C25B 123(3) . . ?
C21B C26B H26B 118.7 . . ?
C25B C26B H26B 118.7 . . ?
Cl1 C27 H27A 109.6 . . ?
Cl1 C27 H27B 109.6 . . ?
Cl2 C27 Cl1 110(2) . . ?
Cl2 C27 H27A 109.6 . . ?
Cl2 C27 H27B 109.6 . . ?
H27A C27 H27B 108.1 . . ?

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 4(2) . . . . ?
Au1 P1 C1 C6 -168.0(17) . . . . ?
Au1 P1 C7 C8 32(2) . . . . ?
Au1 P1 C7 C12 -152.5(18) . . . . ?
Au1 P1 C13 C14 -107(2) . . . . ?
Au1 P1 C13 C18 67(2) . . . . ?
P1 C1 C2 C3 -179(2) . . . . ?
P1 C1 C6 C5 178.9(19) . . . . ?
P1 C7 C8 C9 173(2) . . . . ?
P1 C7 C12 C11 -173(2) . . . . ?
P1 C13 C14 C15 175.5(19) . . . . ?
P1 C13 C18 C17 -174.8(17) . . . . ?
C1 P1 C7 C8 -91(2) . . . . ?
C1 P1 C7 C12 84(2) . . . . ?
C1 P1 C13 C14 19(2) . . . . ?
C1 P1 C13 C18 -167(2) . . . . ?
C1 C2 C3 C4 6(4) . . . . ?
C2 C1 C6 C5 7(3) . . . . ?
C2 C3 C4 C5 -6(4) . . . . ?
C3 C4 C5 C6 6(4) . . . . ?
C4 C5 C6 C1 -7(4) . . . . ?
C6 C1 C2 C3 -7(4) . . . . ?
C7 P1 C1 C2 126(2) . . . . ?
C7 P1 C1 C6 -46(2) . . . . ?
C7 P1 C13 C14 129(2) . . . . ?
C7 P1 C13 C18 -57(2) . . . . ?
C7 C8 C9 C10 3(4) . . . . ?
C8 C7 C12 C11 3(4) . . . . ?
C8 C9 C10 C11 -5(5) . . . . ?
C9 C10 C11 C12 5(5) . . . . ?
C10 C11 C12 C7 -4(4) . . . . ?
C12 C7 C8 C9 -2(4) . . . . ?
C13 P1 C1 C2 -122(2) . . . . ?
C13 P1 C1 C6 67(2) . . . . ?
C13 P1 C7 C8 158(2) . . . . ?
C13 P1 C7 C12 -27(2) . . . . ?
C13 C14 C15 C16 -2(4) . . . . ?
C14 C13 C18 C17 -1(4) . . . . ?
C14 C15 C16 C17 1(4) . . . . ?
C15 C16 C17 C18 0(4) . . . . ?
C16 C17 C18 C13 0(4) . . . . ?
C18 C13 C14 C15 2(4) . . . . ?
C20 C21 C22 C23 179(2) . . . . ?
C20 C21 C26 C25 -178(2) . . . . ?
C21 C22 C23 C24 -3(4) . . . . ?
C22 C21 C26 C25 -3(4) . . . . ?
C22 C23 C24 C25 1(4) . . . . ?
C23 C24 C25 C26 -1(4) . . . . ?
C24 C25 C26 C21 2(4) . . . . ?
C26 C21 C22 C23 4(4) . . . . ?
Au1A P1A C1A C2A 3(2) . . . . ?
Au1A P1A C1A C6A -177.9(19) . . . . ?
Au1A P1A C7A C8A 6(2) . . . . ?
Au1A P1A C7A C12A -177.3(19) . . . . ?
Au1A P1A C13A C14A -81.7(19) . . . . ?
Au1A P1A C13A C18A 97(2) . . . . ?
P1A C1A C2A C3A -179.2(19) . . . . ?
P1A C1A C6A C5A 177(2) . . . . ?
P1A C7A C8A C9A 176(2) . . . . ?
P1A C7A C12A C11A -180(2) . . . . ?
P1A C13A C14A C15A 179(2) . . . . ?
P1A C13A C18A C17A -176(2) . . . . ?
C1A P1A C7A C8A -117(2) . . . . ?
C1A P1A C7A C12A 60(2) . . . . ?
C1A P1A C13A C14A 43(2) . . . . ?
C1A P1A C13A C18A -139(2) . . . . ?
C1A C2A C3A C4A 1(4) . . . . ?
C2A C1A C6A C5A -3(4) . . . . ?
C2A C3A C4A C5A -1(4) . . . . ?
C3A C4A C5A C6A -1(4) . . . . ?
C4A C5A C6A C1A 3(4) . . . . ?
C6A C1A C2A C3A 1(4) . . . . ?
C7A P1A C1A C2A 125(2) . . . . ?
C7A P1A C1A C6A -56(2) . . . . ?
C7A P1A C13A C14A 153.9(19) . . . . ?
C7A P1A C13A C18A -27(2) . . . . ?
C7A C8A C9A C10A 1(5) . . . . ?
C8A C7A C12A C11A -2(4) . . . . ?
C8A C9A C10A C11A 4(5) . . . . ?
C9A C10A C11A C12A -8(5) . . . . ?
C10A C11A C12A C7A 7(4) . . . . ?
C12A C7A C8A C9A -1(4) . . . . ?
C13A P1A C1A C2A -124(2) . . . . ?
C13A P1A C1A C6A 55(2) . . . . ?
C13A P1A C7A C8A 133(2) . . . . ?
C13A P1A C7A C12A -50(2) . . . . ?
C13A C14A C15A C16A -4(4) . . . . ?
C14A C13A C18A C17A 3(4) . . . . ?
C14A C15A C16A C17A 3(4) . . . . ?
C15A C16A C17A C18A 0(4) . . . . ?
C16A C17A C18A C13A -3(4) . . . . ?
C18A C13A C14A C15A 1(4) . . . . ?
C20A C21A C22A C23A -179(2) . . . . ?
C20A C21A C26A C25A 180(2) . . . . ?
C21A C22A C23A C24A 0(4) . . . . ?
C22A C21A C26A C25A 1(4) . . . . ?
C22A C23A C24A C25A 1(4) . . . . ?
C23A C24A C25A C26A -1(5) . . . . ?
C24A C25A C26A C21A 0(5) . . . . ?
C26A C21A C22A C23A 0(4) . . . . ?
Au1B P1B C1B C2B -10(2) . . . . ?
Au1B P1B C1B C6B 170.4(18) . . . . ?
Au1B P1B C7B C8B 7(2) . . . . ?
Au1B P1B C7B C12B -170.3(19) . . . . ?
Au1B P1B C13B C14B -71.5(19) . . . . ?
Au1B P1B C13B C18B 99(2) . . . . ?
P1B C1B C2B C3B -179(2) . . . . ?
P1B C1B C6B C5B -180(2) . . . . ?
P1B C7B C8B C9B -179.8(19) . . . . ?
P1B C7B C12B C11B 179(2) . . . . ?
P1B C13B C14B C15B 177.2(19) . . . . ?
P1B C13B C18B C17B -173(2) . . . . ?
C1B P1B C7B C8B -114(2) . . . . ?
C1B P1B C7B C12B 68(2) . . . . ?
C1B P1B C13B C14B 50(2) . . . . ?
C1B P1B C13B C18B -140(2) . . . . ?
C1B C2B C3B C4B 0(4) . . . . ?
C2B C1B C6B C5B 1(4) . . . . ?
C2B C3B C4B C5B -1(4) . . . . ?
C3B C4B C5B C6B 3(5) . . . . ?
C4B C5B C6B C1B -2(4) . . . . ?
C6B C1B C2B C3B 0(4) . . . . ?
C7B P1B C1B C2B 113(2) . . . . ?
C7B P1B C1B C6B -66(2) . . . . ?
C7B P1B C13B C14B 162.7(18) . . . . ?
C7B P1B C13B C18B -27(2) . . . . ?
C7B C8B C9B C10B 0(4) . . . . ?
C8B C7B C12B C11B 2(4) . . . . ?
C8B C9B C10B C11B 2(4) . . . . ?
C9B C10B C11B C12B -2(4) . . . . ?
C10B C11B C12B C7B 1(4) . . . . ?
C12B C7B C8B C9B -2(4) . . . . ?
C13B P1B C1B C2B -134(2) . . . . ?
C13B P1B C1B C6B 47(2) . . . . ?
C13B P1B C7B C8B 134(2) . . . . ?
C13B P1B C7B C12B -44(2) . . . . ?
C13B C14B C15B C16B -5(4) . . . . ?
C14B C13B C18B C17B -2(4) . . . . ?
C14B C15B C16B C17B 1(4) . . . . ?
C15B C16B C17B C18B 3(4) . . . . ?
C16B C17B C18B C13B -2(4) . . . . ?
C18B C13B C14B C15B 6(4) . . . . ?
C20B C21B C22B C23B 178(2) . . . . ?
C20B C21B C26B C25B 178(2) . . . . ?
C21B C22B C23B C24B -2(5) . . . . ?
C22B C21B C26B C25B -7(4) . . . . ?
C22B C23B C24B C25B 4(5) . . . . ?
C23B C24B C25B C26B -8(4) . . . . ?
C24B C25B C26B C21B 9(4) . . . . ?
C26B C21B C22B C23B 3(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.661
_oxdiff_exptl_absorpt_empirical_full_min 0.616
####################################################################### 
# 
# 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_mx10980_sq
_database_code_depnum_ccdc_archive 'CCDC 2390749'
loop_
_audit_author_name
_audit_author_address
'Zhixun Luo'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2024-10-14 deposited with the CCDC.	2025-02-17 downloaded from the CCDC.
;
_audit_creation_date             2023-09-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C42 H30 Au2 Cu P), 0.5[]'
_chemical_formula_sum            'C84 H60 Au4 Cu2 P2'
_chemical_formula_weight         2046.20
_chemical_melting_point          ?
_chemical_oxdiff_formula         AuCuCHPCl
_chemical_oxdiff_usercomment     CHNO
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'
Cu Cu 0.3201 1.2651 '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      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                   12.6398(6)
_cell_length_b                   16.7456(9)
_cell_length_c                   18.5200(9)
_cell_angle_alpha                88.962(4)
_cell_angle_beta                 76.498(4)
_cell_angle_gamma                69.963(4)
_cell_volume                     3572.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    16075
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      28.9650
_cell_measurement_theta_min      1.7670
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.855
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49116
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_density_diffrn    1.902
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0594
_diffrn_reflns_av_unetI/netI     0.0724
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.842
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            59738
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.842
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.034
_diffrn_reflns_theta_min         1.767
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -40.00 -14.00   0.50    2.81    --    5.00  45.00 174.50   52
  2  ω    -21.00  33.00   0.50    2.81    --  -10.70  45.00  30.00  108
  3  ω     -6.00  78.00   0.50    2.81    --  -10.70  45.00 177.41  168
  4  ω      8.00  69.00   0.50    2.81    --  -10.70  45.00 -14.02  122
  5  ω    -99.00  19.00   0.50    2.81    --  -10.70  45.00 150.00  236
  6  ω     29.00  55.00   0.50    2.81    --  -10.70  45.00 150.00   52
  7  ω    -62.00 -35.00   0.50    2.81    --  -10.70  45.00  30.00   54
  8  ω   -100.00  78.00   0.50    2.81    --  -10.70  45.00  90.00  356
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0007437000
_diffrn_orient_matrix_UB_12      -0.0315317000
_diffrn_orient_matrix_UB_13      -0.0247458000
_diffrn_orient_matrix_UB_21      -0.0525447000
_diffrn_orient_matrix_UB_22      -0.0008734000
_diffrn_orient_matrix_UB_23      0.0235892000
_diffrn_orient_matrix_UB_31      -0.0320667000
_diffrn_orient_matrix_UB_32      0.0323595000
_diffrn_orient_matrix_UB_33      -0.0197417000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13577
_reflns_number_total             19237
_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       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_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         5.658
_refine_diff_density_min         -1.912
_refine_diff_density_rms         0.213
_refine_ls_extinction_coef       .
_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     829
_refine_ls_number_reflns         19237
_refine_ls_number_restraints     127
_refine_ls_R_factor_all          0.0851
_refine_ls_R_factor_gt           0.0517
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0601P)²+4.8149P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1200
_refine_ls_wR_factor_ref         0.1306
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C55-C54 = C56-C55 = C57-C56 = C58-C57 = C58-C53 = C54-C53
 1.39 with sigma of 0.01
 C16-C15 = C15-C14 = C14-C13 = C13-C12 = C12-C11 = C16-C11
 1.39 with sigma of 0.01
 C5-C4 = C6-C5 = C7-C6 = C8-C3 = C8-C7 = C4-C3
 1.39 with sigma of 0.01
3. Rigid bond restraints
 C5, C6
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57 \\sim C58: within 1.7A with sigma
of 0.02 and sigma for terminal atoms of 0.04 within 1.7A
C16 \\sim C15 \\sim C14 \\sim C13 \\sim C12 \\sim C11: within 1.7A with sigma
of 0.02 and sigma for terminal atoms of 0.04 within 1.7A
C3 \\sim C8 \\sim C7 \\sim C6 \\sim C4 \\sim C5: within 1.7A with sigma of 0.02
and sigma for terminal atoms of 0.04 within 1.7A
5.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C26(H26),
  C27(H27), C28(H28), C29(H29), C30(H30), C32(H32), C33(H33), C34(H34),
 C35(H35), C36(H36), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42), C46(H46),
  C47(H47), C48(H48), C49(H49), C50(H50), C54(H54), C55(H55), C56(H56),
 C57(H57), C58(H58), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C68(H68),
  C69(H69), C70(H70), C71(H71), C72(H72), C74(H74), C75(H75), C76(H76),
 C77(H77), C78(H78), C80(H80), C81(H81), C82(H82), C83(H83), C84(H84)
;
_atom_sites_solution_hydrogens   geom
_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 1.01312(2) 1.07662(2) 0.04415(2) 0.03010(8) Uani 1 1 d . . . . .
Au2 Au 0.67207(2) 0.90831(2) 0.05745(2) 0.03569(8) Uani 1 1 d . . . . .
Cu1 Cu 0.87265(7) 0.95856(5) 0.11516(5) 0.0339(2) Uani 1 1 d . . . . .
P1 P 0.64013(15) 0.82888(11) -0.02661(11) 0.0317(4) Uani 1 1 d . . . . .
C1 C 1.0314(5) 1.1528(4) -0.0388(4) 0.0299(15) Uani 1 1 d . . . . .
C2 C 1.0360(6) 1.2066(5) -0.0828(4) 0.0394(18) Uani 1 1 d . . . . .
C3 C 1.0430(7) 1.2713(5) -0.1317(5) 0.050(2) Uani 1 1 d D U . . .
C4 C 1.1107(9) 1.3199(6) -0.1246(6) 0.084(3) Uani 1 1 d D U . . .
H4 H 1.150857 1.310043 -0.086025 0.100 Uiso 1 1 calc R U . . .
C5 C 1.1203(10) 1.3831(7) -0.1737(6) 0.097(3) Uani 1 1 d D U . . .
H5 H 1.166805 1.415931 -0.168845 0.116 Uiso 1 1 calc R U . . .
C6 C 1.0605(10) 1.3970(7) -0.2297(6) 0.096(4) Uani 1 1 d D U . . .
H6 H 1.077710 1.430038 -0.269960 0.115 Uiso 1 1 calc R U . . .
C7 C 0.9769(12) 1.3622(7) -0.2253(7) 0.102(4) Uani 1 1 d D U . . .
H7 H 0.923254 1.381138 -0.255689 0.123 Uiso 1 1 calc R U . . .
C8 C 0.9693(11) 1.2995(7) -0.1770(7) 0.094(3) Uani 1 1 d D U . . .
H8 H 0.910901 1.275403 -0.175476 0.113 Uiso 1 1 calc R U . . .
C9 C 0.9959(6) 1.0112(4) 0.1318(4) 0.0342(16) Uani 1 1 d . . . . .
C10 C 0.9970(6) 0.9681(5) 0.1862(5) 0.0414(18) Uani 1 1 d . . . . .
C11 C 1.0153(7) 0.9156(6) 0.2472(5) 0.061(2) Uani 1 1 d D U . . .
C12 C 1.1247(9) 0.8718(6) 0.2550(6) 0.080(3) Uani 1 1 d D U . . .
H12 H 1.188801 0.876878 0.218911 0.096 Uiso 1 1 calc R U . . .
C13 C 1.1465(11) 0.8208(7) 0.3127(6) 0.096(4) Uani 1 1 d D U . . .
H13 H 1.223474 0.793272 0.317830 0.116 Uiso 1 1 calc R U . . .
C14 C 1.0536(10) 0.8111(8) 0.3626(7) 0.096(4) Uani 1 1 d D U . . .
H14 H 1.066872 0.777923 0.403906 0.115 Uiso 1 1 calc R U . . .
C15 C 0.9426(10) 0.8473(8) 0.3549(7) 0.129(5) Uani 1 1 d D U . . .
H15 H 0.879670 0.836632 0.387776 0.154 Uiso 1 1 calc R U . . .
C16 C 0.9258(9) 0.9004(8) 0.2971(7) 0.108(4) Uani 1 1 d D U . . .
H16 H 0.848914 0.927502 0.291595 0.129 Uiso 1 1 calc R U . . .
C17 C 0.6980(6) 0.9801(5) 0.1323(4) 0.0360(16) Uani 1 1 d . . . . .
C18 C 0.7023(6) 1.0282(5) 0.1796(5) 0.047(2) Uani 1 1 d . . . . .
C19 C 0.6745(6) 1.0895(4) 0.2395(4) 0.0342(16) Uani 1 1 d . . . . .
C20 C 0.7040(7) 1.1628(5) 0.2311(5) 0.052(2) Uani 1 1 d . . . . .
H20 H 0.746503 1.172376 0.184239 0.063 Uiso 1 1 calc R U . . .
C21 C 0.6716(8) 1.2207(6) 0.2902(6) 0.070(3) Uani 1 1 d . . . . .
H21 H 0.691301 1.270746 0.283867 0.084 Uiso 1 1 calc R U . . .
C22 C 0.6113(8) 1.2079(6) 0.3584(6) 0.065(3) Uani 1 1 d . . . . .
H22 H 0.590052 1.248578 0.399101 0.078 Uiso 1 1 calc R U . . .
C23 C 0.5819(8) 1.1373(5) 0.3677(5) 0.055(2) Uani 1 1 d . . . . .
H23 H 0.539431 1.128896 0.414982 0.066 Uiso 1 1 calc R U . . .
C24 C 0.6134(6) 1.0773(5) 0.3090(4) 0.0440(19) Uani 1 1 d . . . . .
H24 H 0.593072 1.027590 0.316277 0.053 Uiso 1 1 calc R U . . .
C25 C 0.6796(6) 0.8620(4) -0.1199(4) 0.0296(15) Uani 1 1 d . . . . .
C26 C 0.7774(6) 0.8833(5) -0.1377(5) 0.0427(19) Uani 1 1 d . . . . .
H26 H 0.819824 0.881269 -0.101205 0.051 Uiso 1 1 calc R U . . .
C27 C 0.8156(7) 0.9078(5) -0.2081(5) 0.050(2) Uani 1 1 d . . . . .
H27 H 0.883449 0.922728 -0.219673 0.060 Uiso 1 1 calc R U . . .
C28 C 0.7552(8) 0.9102(5) -0.2605(5) 0.048(2) Uani 1 1 d . . . . .
H28 H 0.781310 0.926732 -0.308866 0.057 Uiso 1 1 calc R U . . .
C29 C 0.6566(7) 0.8891(6) -0.2443(5) 0.051(2) Uani 1 1 d . . . . .
H29 H 0.614585 0.891352 -0.281050 0.061 Uiso 1 1 calc R U . . .
C30 C 0.6188(6) 0.8643(5) -0.1733(5) 0.0414(18) Uani 1 1 d . . . . .
H30 H 0.551235 0.848950 -0.161865 0.050 Uiso 1 1 calc R U . . .
C31 C 0.4910(6) 0.8337(5) -0.0096(4) 0.0347(16) Uani 1 1 d . . . . .
C32 C 0.4061(6) 0.8962(5) 0.0408(5) 0.0407(18) Uani 1 1 d . . . . .
H32 H 0.426689 0.936380 0.064769 0.049 Uiso 1 1 calc R U . . .
C33 C 0.2924(7) 0.9007(6) 0.0565(5) 0.055(2) Uani 1 1 d . . . . .
H33 H 0.235229 0.942964 0.092105 0.066 Uiso 1 1 calc R U . . .
C34 C 0.2617(8) 0.8449(6) 0.0212(6) 0.063(3) Uani 1 1 d . . . . .
H34 H 0.183585 0.846676 0.033726 0.075 Uiso 1 1 calc R U . . .
C35 C 0.3420(9) 0.7867(6) -0.0319(6) 0.068(3) Uani 1 1 d . . . . .
H35 H 0.318173 0.750664 -0.058503 0.082 Uiso 1 1 calc R U . . .
C36 C 0.4583(8) 0.7786(6) -0.0483(6) 0.059(2) Uani 1 1 d . . . . .
H36 H 0.514267 0.736738 -0.084799 0.071 Uiso 1 1 calc R U . . .
C37 C 0.7237(7) 0.7155(5) -0.0291(4) 0.0440(19) Uani 1 1 d . . . . .
C38 C 0.8293(7) 0.6786(5) -0.0767(5) 0.055(2) Uani 1 1 d . . . . .
H38 H 0.859751 0.711636 -0.112334 0.066 Uiso 1 1 calc R U . . .
C39 C 0.8931(9) 0.5932(6) -0.0739(6) 0.064(3) Uani 1 1 d . . . . .
H39 H 0.968240 0.569065 -0.106192 0.077 Uiso 1 1 calc R U . . .
C40 C 0.8506(12) 0.5447(7) -0.0266(7) 0.092(4) Uani 1 1 d . . . . .
H40 H 0.897778 0.487621 -0.022693 0.110 Uiso 1 1 calc R U . . .
C41 C 0.7384(12) 0.5767(7) 0.0167(8) 0.096(4) Uani 1 1 d . . . . .
H41 H 0.705930 0.539751 0.046018 0.115 Uiso 1 1 calc R U . . .
C42 C 0.6716(9) 0.6640(6) 0.0179(7) 0.077(3) Uani 1 1 d . . . . .
H42 H 0.595156 0.687292 0.048646 0.092 Uiso 1 1 calc R U . . .
Au3 Au 0.80337(2) 0.57197(2) 0.44755(2) 0.03447(8) Uani 1 1 d . . . . .
Au4 Au 0.48730(2) 0.42528(2) 0.45028(2) 0.03235(8) Uani 1 1 d . . . . .
Cu2 Cu 0.60540(7) 0.53028(5) 0.38359(5) 0.03067(19) Uani 1 1 d . . . . .
P2 P 0.84122(15) 0.66006(11) 0.52111(11) 0.0311(4) Uani 1 1 d . . . . .
C43 C 0.7822(6) 0.5001(4) 0.3703(4) 0.0340(16) Uani 1 1 d . . . . .
C44 C 0.7787(6) 0.4596(4) 0.3180(5) 0.0380(17) Uani 1 1 d . . . . .
C45 C 0.8058(6) 0.4070(4) 0.2510(4) 0.0362(17) Uani 1 1 d . . . . .
C46 C 0.8867(7) 0.3251(5) 0.2418(5) 0.051(2) Uani 1 1 d . . . . .
H46 H 0.925099 0.303886 0.280239 0.061 Uiso 1 1 calc R U . . .
C47 C 0.9124(8) 0.2745(5) 0.1790(6) 0.059(2) Uani 1 1 d . . . . .
H47 H 0.965603 0.217755 0.175017 0.071 Uiso 1 1 calc R U . . .
C48 C 0.8629(8) 0.3043(6) 0.1221(6) 0.062(3) Uani 1 1 d . . . . .
H48 H 0.884849 0.269805 0.077187 0.075 Uiso 1 1 calc R U . . .
C49 C 0.7822(8) 0.3830(6) 0.1293(5) 0.063(3) Uani 1 1 d . . . . .
H49 H 0.745813 0.403445 0.089817 0.076 Uiso 1 1 calc R U . . .
C50 C 0.7516(7) 0.4350(5) 0.1950(5) 0.051(2) Uani 1 1 d . . . . .
H50 H 0.693167 0.489822 0.200316 0.061 Uiso 1 1 calc R U . . .
C51 C 0.4883(7) 0.4818(5) 0.3540(4) 0.0404(18) Uani 1 1 d . . . . .
C52 C 0.4724(6) 0.5110(5) 0.2975(5) 0.047(2) Uani 1 1 d . . . . .
C53 C 0.4439(9) 0.5445(6) 0.2281(5) 0.074(3) Uani 1 1 d D U . . .
C54 C 0.4654(10) 0.4863(7) 0.1685(5) 0.084(3) Uani 1 1 d D U . . .
H54 H 0.501011 0.426908 0.172131 0.100 Uiso 1 1 calc R U . . .
C55 C 0.4334(13) 0.5178(9) 0.1039(7) 0.111(4) Uani 1 1 d D U . . .
H55 H 0.444592 0.479981 0.062933 0.134 Uiso 1 1 calc R U . . .
C56 C 0.3843(14) 0.6060(9) 0.1001(9) 0.135(5) Uani 1 1 d D U . . .
H56 H 0.353513 0.625978 0.058380 0.162 Uiso 1 1 calc R U . . .
C57 C 0.3774(12) 0.6661(9) 0.1531(7) 0.113(4) Uani 1 1 d D U . . .
H57 H 0.355076 0.725307 0.145883 0.135 Uiso 1 1 calc R U . . .
C58 C 0.4066(12) 0.6314(7) 0.2182(7) 0.115(5) Uani 1 1 d D U . . .
H58 H 0.400520 0.669336 0.257749 0.138 Uiso 1 1 calc R U . . .
C59 C 0.4856(6) 0.3586(4) 0.5406(4) 0.0345(16) Uani 1 1 d . . . . .
C60 C 0.4882(6) 0.3126(5) 0.5907(5) 0.0370(17) Uani 1 1 d . . . . .
C61 C 0.4954(7) 0.2522(5) 0.6472(5) 0.0433(19) Uani 1 1 d . . . . .
C62 C 0.5941(12) 0.1841(7) 0.6418(7) 0.098(4) Uani 1 1 d . . . . .
H62 H 0.660223 0.176454 0.601891 0.118 Uiso 1 1 calc R U . . .
C63 C 0.5956(15) 0.1245(8) 0.6974(9) 0.123(6) Uani 1 1 d . . . . .
H63 H 0.664694 0.076686 0.693479 0.147 Uiso 1 1 calc R U . . .
C64 C 0.5099(11) 0.1314(8) 0.7524(8) 0.101(5) Uani 1 1 d . . . . .
H64 H 0.516575 0.092356 0.790453 0.122 Uiso 1 1 calc R U . . .
C65 C 0.4127(14) 0.1939(11) 0.7546(8) 0.134(6) Uani 1 1 d . . . . .
H65 H 0.346588 0.197321 0.793212 0.161 Uiso 1 1 calc R U . . .
C66 C 0.4014(10) 0.2563(9) 0.7023(7) 0.111(5) Uani 1 1 d . . . . .
H66 H 0.329041 0.300678 0.705591 0.133 Uiso 1 1 calc R U . . .
C67 C 0.9932(6) 0.6474(4) 0.4987(4) 0.0336(16) Uani 1 1 d . . . . .
C68 C 1.0685(6) 0.5919(4) 0.4389(4) 0.0370(16) Uani 1 1 d . . . . .
H68 H 1.039454 0.560220 0.411556 0.044 Uiso 1 1 calc R U . . .
C69 C 1.1860(6) 0.5819(5) 0.4184(5) 0.0435(19) Uani 1 1 d . . . . .
H69 H 1.236332 0.543642 0.377521 0.052 Uiso 1 1 calc R U . . .
C70 C 1.2284(7) 0.6274(5) 0.4575(5) 0.048(2) Uani 1 1 d . . . . .
H70 H 1.308260 0.621022 0.443566 0.057 Uiso 1 1 calc R U . . .
C71 C 1.1560(7) 0.6819(5) 0.5165(5) 0.045(2) Uani 1 1 d . . . . .
H71 H 1.186381 0.712123 0.544234 0.054 Uiso 1 1 calc R U . . .
C72 C 1.0386(7) 0.6937(5) 0.5364(5) 0.049(2) Uani 1 1 d . . . . .
H72 H 0.988832 0.733762 0.576265 0.059 Uiso 1 1 calc R U . . .
C73 C 0.8005(6) 0.6491(4) 0.6207(4) 0.0327(16) Uani 1 1 d . . . . .
C74 C 0.8804(6) 0.6140(5) 0.6622(4) 0.0414(18) Uani 1 1 d . . . . .
H74 H 0.961065 0.596258 0.639415 0.050 Uiso 1 1 calc R U . . .
C75 C 0.8433(8) 0.6046(5) 0.7360(5) 0.050(2) Uani 1 1 d . . . . .
H75 H 0.898558 0.581241 0.764736 0.060 Uiso 1 1 calc R U . . .
C76 C 0.7257(8) 0.6290(5) 0.7696(5) 0.054(2) Uani 1 1 d . . . . .
H76 H 0.700699 0.621873 0.821024 0.064 Uiso 1 1 calc R U . . .
C77 C 0.6465(7) 0.6630(5) 0.7291(5) 0.048(2) Uani 1 1 d . . . . .
H77 H 0.566029 0.679280 0.752153 0.058 Uiso 1 1 calc R U . . .
C78 C 0.6822(6) 0.6742(5) 0.6545(5) 0.0417(18) Uani 1 1 d . . . . .
H78 H 0.626477 0.698805 0.626342 0.050 Uiso 1 1 calc R U . . .
C79 C 0.7634(6) 0.7704(4) 0.5096(4) 0.0359(16) Uani 1 1 d . . . . .
C80 C 0.7544(8) 0.8368(5) 0.5555(5) 0.054(2) Uani 1 1 d . . . . .
H80 H 0.786379 0.824978 0.597760 0.065 Uiso 1 1 calc R U . . .
C81 C 0.7001(9) 0.9203(5) 0.5419(5) 0.060(3) Uani 1 1 d . . . . .
H81 H 0.699041 0.964730 0.573575 0.072 Uiso 1 1 calc R U . . .
C82 C 0.6503(9) 0.9398(6) 0.4869(6) 0.071(3) Uani 1 1 d . . . . .
H82 H 0.617715 0.997643 0.476295 0.085 Uiso 1 1 calc R U . . .
C83 C 0.6454(10) 0.8721(6) 0.4420(7) 0.085(4) Uani 1 1 d . . . . .
H83 H 0.603891 0.884242 0.404158 0.102 Uiso 1 1 calc R U . . .
C84 C 0.7029(9) 0.7890(6) 0.4559(6) 0.067(3) Uani 1 1 d . . . . .
H84 H 0.700034 0.743688 0.427228 0.080 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 Au1 3.2184(5) 2_775 ?
Au1 Cu1 2.9373(9) 2_775 ?
Au1 Cu1 3.1641(9) . ?
Au1 C1 2.002(7) . ?
Au1 C9 1.953(8) . ?
Au2 P1 2.2566(18) . ?
Au2 C17 2.004(7) . ?
Cu1 C1 2.166(6) 2_775 ?
Cu1 C9 2.115(6) . ?
Cu1 C10 2.318(8) . ?
Cu1 C17 2.058(7) . ?
Cu1 C18 2.133(8) . ?
P1 C25 1.815(7) . ?
P1 C31 1.811(7) . ?
P1 C37 1.824(8) . ?
C1 C2 1.212(10) . ?
C2 C3 1.411(11) . ?
C3 C4 1.396(8) . ?
C3 C8 1.358(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.401(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.392(9) . ?
C6 H6 0.9500 . ?
C6 C7 1.357(9) . ?
C7 H7 0.9500 . ?
C7 C8 1.381(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.229(10) . ?
C10 C11 1.432(11) . ?
C11 C12 1.366(8) . ?
C11 C16 1.378(8) . ?
C12 H12 0.9500 . ?
C12 C13 1.374(8) . ?
C13 H13 0.9500 . ?
C13 C14 1.371(9) . ?
C14 H14 0.9500 . ?
C14 C15 1.364(9) . ?
C15 H15 0.9500 . ?
C15 C16 1.388(9) . ?
C16 H16 0.9500 . ?
C17 C18 1.222(11) . ?
C18 C19 1.423(11) . ?
C19 C20 1.396(10) . ?
C19 C24 1.390(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.365(12) . ?
C21 H21 0.9500 . ?
C21 C22 1.370(14) . ?
C22 H22 0.9500 . ?
C22 C23 1.351(13) . ?
C23 H23 0.9500 . ?
C23 C24 1.384(11) . ?
C24 H24 0.9500 . ?
C25 C26 1.368(9) . ?
C25 C30 1.380(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.388(11) . ?
C27 H27 0.9500 . ?
C27 C28 1.360(11) . ?
C28 H28 0.9500 . ?
C28 C29 1.375(11) . ?
C29 H29 0.9500 . ?
C29 C30 1.397(12) . ?
C30 H30 0.9500 . ?
C31 C32 1.384(10) . ?
C31 C36 1.400(10) . ?
C32 H32 0.9500 . ?
C32 C33 1.374(10) . ?
C33 H33 0.9500 . ?
C33 C34 1.356(13) . ?
C34 H34 0.9500 . ?
C34 C35 1.356(13) . ?
C35 H35 0.9500 . ?
C35 C36 1.389(12) . ?
C36 H36 0.9500 . ?
C37 C38 1.360(11) . ?
C37 C42 1.425(13) . ?
C38 H38 0.9500 . ?
C38 C39 1.387(11) . ?
C39 H39 0.9500 . ?
C39 C40 1.330(16) . ?
C40 H40 0.9500 . ?
C40 C41 1.381(17) . ?
C41 H41 0.9500 . ?
C41 C42 1.414(13) . ?
C42 H42 0.9500 . ?
Au3 P2 2.2631(17) . ?
Au3 C43 2.007(6) . ?
Au4 Au4 3.2788(5) 2_666 ?
Au4 Cu2 3.0323(9) 2_666 ?
Au4 Cu2 2.7757(9) . ?
Au4 C51 2.002(8) . ?
Au4 C59 1.994(8) . ?
Cu2 C43 2.070(6) . ?
Cu2 C44 2.170(7) . ?
Cu2 C51 2.091(7) . ?
Cu2 C59 2.152(6) 2_666 ?
Cu2 C60 2.490(7) 2_666 ?
P2 C67 1.805(7) . ?
P2 C73 1.818(8) . ?
P2 C79 1.808(7) . ?
C43 C44 1.211(9) . ?
C44 C45 1.437(10) . ?
C45 C46 1.386(10) . ?
C45 C50 1.364(11) . ?
C46 H46 0.9500 . ?
C46 C47 1.360(11) . ?
C47 H47 0.9500 . ?
C47 C48 1.350(13) . ?
C48 H48 0.9500 . ?
C48 C49 1.349(12) . ?
C49 H49 0.9500 . ?
C49 C50 1.405(11) . ?
C50 H50 0.9500 . ?
C51 C52 1.177(11) . ?
C52 C53 1.467(12) . ?
C53 C54 1.399(8) . ?
C53 C58 1.391(9) . ?
C54 H54 0.9500 . ?
C54 C55 1.389(8) . ?
C55 H55 0.9500 . ?
C55 C56 1.400(9) . ?
C56 H56 0.9500 . ?
C56 C57 1.385(9) . ?
C57 H57 0.9500 . ?
C57 C58 1.401(9) . ?
C58 H58 0.9500 . ?
C59 C60 1.195(10) . ?
C60 C61 1.438(11) . ?
C61 C62 1.355(13) . ?
C61 C66 1.357(13) . ?
C62 H62 0.9500 . ?
C62 C63 1.421(17) . ?
C63 H63 0.9500 . ?
C63 C64 1.276(18) . ?
C64 H64 0.9500 . ?
C64 C65 1.306(17) . ?
C65 H65 0.9500 . ?
C65 C66 1.405(16) . ?
C66 H66 0.9500 . ?
C67 C68 1.392(10) . ?
C67 C72 1.389(10) . ?
C68 H68 0.9500 . ?
C68 C69 1.394(10) . ?
C69 H69 0.9500 . ?
C69 C70 1.369(11) . ?
C70 H70 0.9500 . ?
C70 C71 1.364(12) . ?
C71 H71 0.9500 . ?
C71 C72 1.387(11) . ?
C72 H72 0.9500 . ?
C73 C74 1.377(10) . ?
C73 C78 1.396(10) . ?
C74 H74 0.9500 . ?
C74 C75 1.362(11) . ?
C75 H75 0.9500 . ?
C75 C76 1.388(12) . ?
C76 H76 0.9500 . ?
C76 C77 1.354(11) . ?
C77 H77 0.9500 . ?
C77 C78 1.380(11) . ?
C78 H78 0.9500 . ?
C79 C80 1.369(10) . ?
C79 C84 1.360(11) . ?
C80 H80 0.9500 . ?
C80 C81 1.379(11) . ?
C81 H81 0.9500 . ?
C81 C82 1.299(13) . ?
C82 H82 0.9500 . ?
C82 C83 1.445(14) . ?
C83 H83 0.9500 . ?
C83 C84 1.382(12) . ?
C84 H84 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
Cu1 Au1 Au1 54.795(18) . 2_775 ?
Cu1 Au1 Au1 61.663(18) 2_775 2_775 ?
Cu1 Au1 Cu1 116.458(19) 2_775 . ?
C1 Au1 Au1 100.03(19) . 2_775 ?
C1 Au1 Cu1 143.52(18) . . ?
C1 Au1 Cu1 47.52(18) . 2_775 ?
C9 Au1 Au1 85.79(19) . 2_775 ?
C9 Au1 Cu1 40.82(19) . . ?
C9 Au1 Cu1 137.3(2) . 2_775 ?
C9 Au1 C1 174.2(3) . . ?
C17 Au2 P1 179.1(2) . . ?
Au1 Cu1 Au1 63.544(19) 2_775 . ?
C1 Cu1 Au1 42.96(19) 2_775 2_775 ?
C1 Cu1 Au1 97.99(17) 2_775 . ?
C1 Cu1 C10 106.0(3) 2_775 . ?
C9 Cu1 Au1 37.1(2) . . ?
C9 Cu1 Au1 90.7(2) . 2_775 ?
C9 Cu1 C1 106.2(3) . 2_775 ?
C9 Cu1 C10 31.8(3) . . ?
C9 Cu1 C18 111.9(3) . . ?
C10 Cu1 Au1 68.87(18) . . ?
C10 Cu1 Au1 112.52(19) . 2_775 ?
C17 Cu1 Au1 110.4(2) . 2_775 ?
C17 Cu1 Au1 128.9(2) . . ?
C17 Cu1 C1 108.8(3) . 2_775 ?
C17 Cu1 C9 144.3(3) . . ?
C17 Cu1 C10 136.7(3) . . ?
C17 Cu1 C18 33.9(3) . . ?
C18 Cu1 Au1 135.8(2) . 2_775 ?
C18 Cu1 Au1 113.3(2) . . ?
C18 Cu1 C1 141.8(3) . 2_775 ?
C18 Cu1 C10 105.4(3) . . ?
C25 P1 Au2 110.8(2) . . ?
C25 P1 C37 106.6(3) . . ?
C31 P1 Au2 113.9(2) . . ?
C31 P1 C25 107.4(3) . . ?
C31 P1 C37 104.3(4) . . ?
C37 P1 Au2 113.3(3) . . ?
Au1 C1 Cu1 89.5(2) . 2_775 ?
C2 C1 Au1 172.5(6) . . ?
C2 C1 Cu1 98.0(5) . 2_775 ?
C1 C2 C3 177.3(8) . . ?
C4 C3 C2 120.2(7) . . ?
C8 C3 C2 121.9(7) . . ?
C8 C3 C4 116.7(8) . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.8(10) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 120.6 . . ?
C6 C5 C4 118.8(10) . . ?
C6 C5 H5 120.6 . . ?
C5 C6 H6 120.8 . . ?
C7 C6 C5 118.4(10) . . ?
C7 C6 H6 120.8 . . ?
C6 C7 H7 119.7 . . ?
C6 C7 C8 120.5(10) . . ?
C8 C7 H7 119.7 . . ?
C3 C8 C7 121.8(9) . . ?
C3 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
Au1 C9 Cu1 102.0(3) . . ?
C10 C9 Au1 173.4(6) . . ?
C10 C9 Cu1 83.3(5) . . ?
C9 C10 Cu1 65.0(4) . . ?
C9 C10 C11 172.0(8) . . ?
C11 C10 Cu1 121.1(5) . . ?
C12 C11 C10 121.0(8) . . ?
C12 C11 C16 116.3(9) . . ?
C16 C11 C10 122.4(8) . . ?
C11 C12 H12 118.5 . . ?
C11 C12 C13 123.1(11) . . ?
C13 C12 H12 118.5 . . ?
C12 C13 H13 121.1 . . ?
C14 C13 C12 117.9(12) . . ?
C14 C13 H13 121.1 . . ?
C13 C14 H14 118.9 . . ?
C15 C14 C13 122.3(12) . . ?
C15 C14 H14 118.9 . . ?
C14 C15 H15 121.5 . . ?
C14 C15 C16 117.1(12) . . ?
C16 C15 H15 121.5 . . ?
C11 C16 C15 123.1(11) . . ?
C11 C16 H16 118.5 . . ?
C15 C16 H16 118.5 . . ?
Au2 C17 Cu1 109.7(4) . . ?
C18 C17 Au2 173.7(6) . . ?
C18 C17 Cu1 76.4(5) . . ?
C17 C18 Cu1 69.7(5) . . ?
C17 C18 C19 164.6(8) . . ?
C19 C18 Cu1 125.6(5) . . ?
C20 C19 C18 122.7(7) . . ?
C24 C19 C18 118.9(7) . . ?
C24 C19 C20 118.4(7) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 119.9(8) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 119.4 . . ?
C20 C21 C22 121.1(9) . . ?
C22 C21 H21 119.4 . . ?
C21 C22 H22 120.1 . . ?
C23 C22 C21 119.9(8) . . ?
C23 C22 H22 120.1 . . ?
C22 C23 H23 119.7 . . ?
C22 C23 C24 120.6(9) . . ?
C24 C23 H23 119.7 . . ?
C19 C24 H24 119.9 . . ?
C23 C24 C19 120.1(8) . . ?
C23 C24 H24 119.9 . . ?
C26 C25 P1 117.0(6) . . ?
C26 C25 C30 119.2(7) . . ?
C30 C25 P1 123.8(5) . . ?
C25 C26 H26 119.4 . . ?
C25 C26 C27 121.2(7) . . ?
C27 C26 H26 119.4 . . ?
C26 C27 H27 120.3 . . ?
C28 C27 C26 119.4(7) . . ?
C28 C27 H27 120.3 . . ?
C27 C28 H28 119.6 . . ?
C27 C28 C29 120.7(8) . . ?
C29 C28 H28 119.6 . . ?
C28 C29 H29 120.2 . . ?
C28 C29 C30 119.6(7) . . ?
C30 C29 H29 120.2 . . ?
C25 C30 C29 119.9(7) . . ?
C25 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C32 C31 P1 119.0(5) . . ?
C32 C31 C36 119.0(7) . . ?
C36 C31 P1 121.9(6) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 C31 120.7(8) . . ?
C33 C32 H32 119.7 . . ?
C32 C33 H33 119.9 . . ?
C34 C33 C32 120.1(9) . . ?
C34 C33 H33 119.9 . . ?
C33 C34 H34 119.9 . . ?
C35 C34 C33 120.2(9) . . ?
C35 C34 H34 119.9 . . ?
C34 C35 H35 119.3 . . ?
C34 C35 C36 121.5(9) . . ?
C36 C35 H35 119.3 . . ?
C31 C36 H36 120.9 . . ?
C35 C36 C31 118.2(9) . . ?
C35 C36 H36 120.9 . . ?
C38 C37 P1 122.4(6) . . ?
C38 C37 C42 119.6(8) . . ?
C42 C37 P1 117.8(6) . . ?
C37 C38 H38 119.7 . . ?
C37 C38 C39 120.7(9) . . ?
C39 C38 H38 119.7 . . ?
C38 C39 H39 119.6 . . ?
C40 C39 C38 120.9(10) . . ?
C40 C39 H39 119.6 . . ?
C39 C40 H40 119.7 . . ?
C39 C40 C41 120.6(10) . . ?
C41 C40 H40 119.7 . . ?
C40 C41 H41 119.8 . . ?
C40 C41 C42 120.4(11) . . ?
C42 C41 H41 119.8 . . ?
C37 C42 H42 121.4 . . ?
C41 C42 C37 117.2(10) . . ?
C41 C42 H42 121.4 . . ?
C43 Au3 P2 172.0(2) . . ?
Cu2 Au4 Au4 59.421(19) . 2_666 ?
Cu2 Au4 Au4 52.007(17) 2_666 2_666 ?
Cu2 Au4 Cu2 111.43(2) . 2_666 ?
C51 Au4 Au4 98.5(2) . 2_666 ?
C51 Au4 Cu2 139.9(2) . 2_666 ?
C51 Au4 Cu2 48.7(2) . . ?
C59 Au4 Au4 87.45(18) . 2_666 ?
C59 Au4 Cu2 135.97(19) . . ?
C59 Au4 Cu2 45.08(18) . 2_666 ?
C59 Au4 C51 174.0(3) . . ?
Au4 Cu2 Au4 68.57(2) . 2_666 ?
C43 Cu2 Au4 122.8(2) . . ?
C43 Cu2 Au4 102.3(2) . 2_666 ?
C43 Cu2 C44 33.1(3) . . ?
C43 Cu2 C51 140.1(3) . . ?
C43 Cu2 C59 109.0(2) . 2_666 ?
C43 Cu2 C60 107.8(2) . 2_666 ?
C44 Cu2 Au4 112.84(19) . . ?
C44 Cu2 Au4 131.1(2) . 2_666 ?
C44 Cu2 C60 127.9(2) . 2_666 ?
C51 Cu2 Au4 46.0(2) . . ?
C51 Cu2 Au4 104.4(2) . 2_666 ?
C51 Cu2 C44 108.7(3) . . ?
C51 Cu2 C59 110.6(3) . 2_666 ?
C51 Cu2 C60 109.0(3) . 2_666 ?
C59 Cu2 Au4 98.71(19) 2_666 . ?
C59 Cu2 Au4 41.0(2) 2_666 2_666 ?
C59 Cu2 C44 140.3(3) 2_666 . ?
C59 Cu2 C60 28.7(3) 2_666 2_666 ?
C60 Cu2 Au4 69.67(19) 2_666 2_666 ?
C60 Cu2 Au4 119.18(17) 2_666 . ?
C67 P2 Au3 111.9(2) . . ?
C67 P2 C73 106.4(3) . . ?
C67 P2 C79 106.4(3) . . ?
C73 P2 Au3 115.8(2) . . ?
C79 P2 Au3 111.1(2) . . ?
C79 P2 C73 104.5(3) . . ?
Au3 C43 Cu2 107.2(3) . . ?
C44 C43 Au3 172.4(7) . . ?
C44 C43 Cu2 78.0(5) . . ?
C43 C44 Cu2 68.9(5) . . ?
C43 C44 C45 165.5(7) . . ?
C45 C44 Cu2 125.5(5) . . ?
C46 C45 C44 120.9(8) . . ?
C50 C45 C44 121.4(7) . . ?
C50 C45 C46 117.6(7) . . ?
C45 C46 H46 119.3 . . ?
C47 C46 C45 121.5(9) . . ?
C47 C46 H46 119.3 . . ?
C46 C47 H47 119.7 . . ?
C48 C47 C46 120.5(8) . . ?
C48 C47 H47 119.7 . . ?
C47 C48 H48 120.1 . . ?
C49 C48 C47 119.9(9) . . ?
C49 C48 H48 120.1 . . ?
C48 C49 H49 119.9 . . ?
C48 C49 C50 120.2(9) . . ?
C50 C49 H49 119.9 . . ?
C45 C50 C49 120.2(8) . . ?
C45 C50 H50 119.9 . . ?
C49 C50 H50 119.9 . . ?
Au4 C51 Cu2 85.4(3) . . ?
C52 C51 Au4 168.4(7) . . ?
C52 C51 Cu2 106.0(6) . . ?
C51 C52 C53 174.8(8) . . ?
C54 C53 C52 118.2(9) . . ?
C58 C53 C52 121.7(9) . . ?
C58 C53 C54 119.8(10) . . ?
C53 C54 H54 120.9 . . ?
C55 C54 C53 118.3(11) . . ?
C55 C54 H54 120.9 . . ?
C54 C55 H55 120.5 . . ?
C54 C55 C56 119.0(13) . . ?
C56 C55 H55 120.5 . . ?
C55 C56 H56 117.8 . . ?
C57 C56 C55 124.5(13) . . ?
C57 C56 H56 117.8 . . ?
C56 C57 H57 123.1 . . ?
C56 C57 C58 113.8(13) . . ?
C58 C57 H57 123.1 . . ?
C53 C58 C57 123.5(12) . . ?
C53 C58 H58 118.2 . . ?
C57 C58 H58 118.2 . . ?
Au4 C59 Cu2 93.9(3) . 2_666 ?
C60 C59 Au4 174.5(6) . . ?
C60 C59 Cu2 91.6(5) . 2_666 ?
C59 C60 Cu2 59.8(4) . 2_666 ?
C59 C60 C61 175.9(8) . . ?
C61 C60 Cu2 124.3(5) . 2_666 ?
C62 C61 C60 120.1(8) . . ?
C62 C61 C66 118.1(10) . . ?
C66 C61 C60 121.5(8) . . ?
C61 C62 H62 121.0 . . ?
C61 C62 C63 118.0(12) . . ?
C63 C62 H62 121.0 . . ?
C62 C63 H63 118.0 . . ?
C64 C63 C62 124.0(13) . . ?
C64 C63 H63 118.0 . . ?
C63 C64 H64 121.2 . . ?
C63 C64 C65 117.6(13) . . ?
C65 C64 H64 121.2 . . ?
C64 C65 H65 118.5 . . ?
C64 C65 C66 123.0(13) . . ?
C66 C65 H65 118.5 . . ?
C61 C66 C65 119.0(12) . . ?
C61 C66 H66 120.5 . . ?
C65 C66 H66 120.5 . . ?
C68 C67 P2 119.2(5) . . ?
C72 C67 P2 123.0(6) . . ?
C72 C67 C68 117.7(7) . . ?
C67 C68 H68 119.4 . . ?
C67 C68 C69 121.1(7) . . ?
C69 C68 H68 119.4 . . ?
C68 C69 H69 120.1 . . ?
C70 C69 C68 119.8(7) . . ?
C70 C69 H69 120.1 . . ?
C69 C70 H70 120.0 . . ?
C71 C70 C69 120.0(7) . . ?
C71 C70 H70 120.0 . . ?
C70 C71 H71 119.6 . . ?
C70 C71 C72 120.8(7) . . ?
C72 C71 H71 119.6 . . ?
C67 C72 H72 119.7 . . ?
C71 C72 C67 120.6(8) . . ?
C71 C72 H72 119.7 . . ?
C74 C73 P2 123.1(6) . . ?
C74 C73 C78 119.6(7) . . ?
C78 C73 P2 117.2(6) . . ?
C73 C74 H74 120.1 . . ?
C75 C74 C73 119.8(7) . . ?
C75 C74 H74 120.1 . . ?
C74 C75 H75 119.7 . . ?
C74 C75 C76 120.6(8) . . ?
C76 C75 H75 119.7 . . ?
C75 C76 H76 120.0 . . ?
C77 C76 C75 120.0(8) . . ?
C77 C76 H76 120.0 . . ?
C76 C77 H77 119.9 . . ?
C76 C77 C78 120.3(8) . . ?
C78 C77 H77 119.9 . . ?
C73 C78 H78 120.2 . . ?
C77 C78 C73 119.7(7) . . ?
C77 C78 H78 120.2 . . ?
C80 C79 P2 123.7(6) . . ?
C84 C79 P2 118.8(6) . . ?
C84 C79 C80 117.4(7) . . ?
C79 C80 H80 119.2 . . ?
C79 C80 C81 121.6(8) . . ?
C81 C80 H80 119.2 . . ?
C80 C81 H81 119.2 . . ?
C82 C81 C80 121.7(9) . . ?
C82 C81 H81 119.2 . . ?
C81 C82 H82 120.6 . . ?
C81 C82 C83 118.8(8) . . ?
C83 C82 H82 120.6 . . ?
C82 C83 H83 121.0 . . ?
C84 C83 C82 118.0(9) . . ?
C84 C83 H83 121.0 . . ?
C79 C84 C83 121.8(9) . . ?
C79 C84 H84 119.1 . . ?
C83 C84 H84 119.1 . . ?

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
Au2 P1 C25 C26 39.2(6) . . . . ?
Au2 P1 C25 C30 -142.7(5) . . . . ?
Au2 P1 C31 C32 13.3(7) . . . . ?
Au2 P1 C31 C36 -169.5(6) . . . . ?
Au2 P1 C37 C38 -92.9(8) . . . . ?
Au2 P1 C37 C42 91.1(8) . . . . ?
Cu1 C10 C11 C12 131.7(9) . . . . ?
Cu1 C10 C11 C16 -42.5(14) . . . . ?
Cu1 C18 C19 C20 59.1(10) . . . . ?
Cu1 C18 C19 C24 -122.3(7) . . . . ?
P1 C25 C26 C27 178.8(6) . . . . ?
P1 C25 C30 C29 -178.8(6) . . . . ?
P1 C31 C32 C33 -178.5(6) . . . . ?
P1 C31 C36 C35 -179.9(7) . . . . ?
P1 C37 C38 C39 176.2(7) . . . . ?
P1 C37 C42 C41 -178.5(8) . . . . ?
C2 C3 C4 C5 178.7(10) . . . . ?
C2 C3 C8 C7 -179.4(11) . . . . ?
C3 C4 C5 C6 0.3(18) . . . . ?
C4 C3 C8 C7 12.9(19) . . . . ?
C4 C5 C6 C7 13.7(19) . . . . ?
C5 C6 C7 C8 -15(2) . . . . ?
C6 C7 C8 C3 1(2) . . . . ?
C8 C3 C4 C5 -13.4(17) . . . . ?
C10 C11 C12 C13 179.8(11) . . . . ?
C10 C11 C16 C15 177.7(13) . . . . ?
C11 C12 C13 C14 3(2) . . . . ?
C12 C11 C16 C15 3(2) . . . . ?
C12 C13 C14 C15 3(2) . . . . ?
C13 C14 C15 C16 -5(2) . . . . ?
C14 C15 C16 C11 2(2) . . . . ?
C16 C11 C12 C13 -5.6(18) . . . . ?
C17 C18 C19 C20 -122(3) . . . . ?
C17 C18 C19 C24 57(3) . . . . ?
C18 C19 C20 C21 177.9(8) . . . . ?
C18 C19 C24 C23 -177.9(7) . . . . ?
C19 C20 C21 C22 0.6(15) . . . . ?
C20 C19 C24 C23 0.7(11) . . . . ?
C20 C21 C22 C23 -0.6(16) . . . . ?
C21 C22 C23 C24 0.6(14) . . . . ?
C22 C23 C24 C19 -0.7(13) . . . . ?
C24 C19 C20 C21 -0.7(12) . . . . ?
C25 P1 C31 C32 -109.8(6) . . . . ?
C25 P1 C31 C36 67.3(8) . . . . ?
C25 P1 C37 C38 29.2(8) . . . . ?
C25 P1 C37 C42 -146.8(7) . . . . ?
C25 C26 C27 C28 -0.4(12) . . . . ?
C26 C25 C30 C29 -0.8(11) . . . . ?
C26 C27 C28 C29 0.3(13) . . . . ?
C27 C28 C29 C30 -0.5(13) . . . . ?
C28 C29 C30 C25 0.7(12) . . . . ?
C30 C25 C26 C27 0.6(11) . . . . ?
C31 P1 C25 C26 164.2(6) . . . . ?
C31 P1 C25 C30 -17.7(7) . . . . ?
C31 P1 C37 C38 142.7(8) . . . . ?
C31 P1 C37 C42 -33.3(8) . . . . ?
C31 C32 C33 C34 -1.6(13) . . . . ?
C32 C31 C36 C35 -2.8(13) . . . . ?
C32 C33 C34 C35 -2.7(14) . . . . ?
C33 C34 C35 C36 4.2(15) . . . . ?
C34 C35 C36 C31 -1.5(15) . . . . ?
C36 C31 C32 C33 4.3(12) . . . . ?
C37 P1 C25 C26 -84.4(6) . . . . ?
C37 P1 C25 C30 93.7(7) . . . . ?
C37 P1 C31 C32 137.3(6) . . . . ?
C37 P1 C31 C36 -45.5(8) . . . . ?
C37 C38 C39 C40 2.7(16) . . . . ?
C38 C37 C42 C41 5.4(15) . . . . ?
C38 C39 C40 C41 4.9(19) . . . . ?
C39 C40 C41 C42 -7(2) . . . . ?
C40 C41 C42 C37 2.0(18) . . . . ?
C42 C37 C38 C39 -7.8(14) . . . . ?
Au3 P2 C67 C68 3.7(7) . . . . ?
Au3 P2 C67 C72 -179.4(6) . . . . ?
Au3 P2 C73 C74 108.5(6) . . . . ?
Au3 P2 C73 C78 -68.2(5) . . . . ?
Au3 P2 C79 C80 168.7(6) . . . . ?
Au3 P2 C79 C84 -6.2(8) . . . . ?
Cu2 C43 C44 C45 174(3) . . . . ?
Cu2 C44 C45 C46 -131.3(7) . . . . ?
Cu2 C44 C45 C50 47.6(10) . . . . ?
Cu2 C60 C61 C62 -139.4(9) 2_666 . . . ?
Cu2 C60 C61 C66 47.7(12) 2_666 . . . ?
P2 C67 C68 C69 178.3(6) . . . . ?
P2 C67 C72 C71 -179.5(6) . . . . ?
P2 C73 C74 C75 -177.3(6) . . . . ?
P2 C73 C78 C77 176.5(6) . . . . ?
P2 C79 C80 C81 176.0(7) . . . . ?
P2 C79 C84 C83 -177.3(9) . . . . ?
C43 C44 C45 C46 55(4) . . . . ?
C43 C44 C45 C50 -126(3) . . . . ?
C44 C45 C46 C47 179.5(8) . . . . ?
C44 C45 C50 C49 178.3(8) . . . . ?
C45 C46 C47 C48 2.8(14) . . . . ?
C46 C45 C50 C49 -2.9(13) . . . . ?
C46 C47 C48 C49 -3.9(15) . . . . ?
C47 C48 C49 C50 1.7(15) . . . . ?
C48 C49 C50 C45 1.8(15) . . . . ?
C50 C45 C46 C47 0.6(12) . . . . ?
C52 C53 C54 C55 177.0(10) . . . . ?
C52 C53 C58 C57 -179.4(12) . . . . ?
C53 C54 C55 C56 2(2) . . . . ?
C54 C53 C58 C57 7(2) . . . . ?
C54 C55 C56 C57 8(3) . . . . ?
C55 C56 C57 C58 -10(3) . . . . ?
C56 C57 C58 C53 3(2) . . . . ?
C58 C53 C54 C55 -8.8(17) . . . . ?
C60 C61 C62 C63 -177.7(11) . . . . ?
C60 C61 C66 C65 177.9(12) . . . . ?
C61 C62 C63 C64 0(3) . . . . ?
C62 C61 C66 C65 5(2) . . . . ?
C62 C63 C64 C65 5(3) . . . . ?
C63 C64 C65 C66 -5(3) . . . . ?
C64 C65 C66 C61 0(3) . . . . ?
C66 C61 C62 C63 -4.6(19) . . . . ?
C67 P2 C73 C74 -16.6(7) . . . . ?
C67 P2 C73 C78 166.7(5) . . . . ?
C67 P2 C79 C80 -69.2(8) . . . . ?
C67 P2 C79 C84 115.8(8) . . . . ?
C67 C68 C69 C70 -0.1(12) . . . . ?
C68 C67 C72 C71 -2.5(12) . . . . ?
C68 C69 C70 C71 0.4(12) . . . . ?
C69 C70 C71 C72 -1.7(13) . . . . ?
C70 C71 C72 C67 2.8(13) . . . . ?
C72 C67 C68 C69 1.1(11) . . . . ?
C73 P2 C67 C68 131.1(6) . . . . ?
C73 P2 C67 C72 -51.9(7) . . . . ?
C73 P2 C79 C80 43.1(8) . . . . ?
C73 P2 C79 C84 -131.9(7) . . . . ?
C73 C74 C75 C76 1.0(12) . . . . ?
C74 C73 C78 C77 -0.4(10) . . . . ?
C74 C75 C76 C77 -0.5(13) . . . . ?
C75 C76 C77 C78 -0.5(13) . . . . ?
C76 C77 C78 C73 0.9(11) . . . . ?
C78 C73 C74 C75 -0.6(11) . . . . ?
C79 P2 C67 C68 -117.8(6) . . . . ?
C79 P2 C67 C72 59.1(7) . . . . ?
C79 P2 C73 C74 -128.8(6) . . . . ?
C79 P2 C73 C78 54.4(6) . . . . ?
C79 C80 C81 C82 3.2(16) . . . . ?
C80 C79 C84 C83 7.4(15) . . . . ?
C80 C81 C82 C83 4.1(17) . . . . ?
C81 C82 C83 C84 -5.5(18) . . . . ?
C82 C83 C84 C79 -0.5(18) . . . . ?
C84 C79 C80 C81 -9.0(14) . . . . ?

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.238
_oxdiff_exptl_absorpt_empirical_full_min 0.332
