# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2023

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

data_test_sq
_database_code_depnum_ccdc_archive 'CCDC 2225808'
loop_
_audit_author_name
_audit_author_address
'Shinjiro Takano'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2022-12-12 deposited with the CCDC.	2023-02-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C140 H140 Au12 Cl2 F6 Ir O10 P11'
_chemical_formula_weight         5063.88

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   20.2131(9)
_cell_length_b                   23.6071(12)
_cell_length_c                   33.7333(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     16096.6(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    100.0(5)
_cell_measurement_reflns_used    9992
_cell_measurement_theta_min      2.2450
_cell_measurement_theta_max      25.3077

_exptl_crystal_description       Needle
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.090
_exptl_crystal_F_000             9352
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.216
_exptl_crystal_size_mid          0.034
_exptl_crystal_size_min          0.027
_exptl_absorpt_coefficient_mu    11.911
_exptl_absorpt_correction_type   'Numerical Mu From Formula'
_exptl_absorpt_process_details   
;
Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for
single-crystal structure determination"
J. Appl. Cryst. 48, 3-10.
doi:10.1107/S1600576714022985
;
_exptl_absorpt_correction_T_min  0.1516
_exptl_absorpt_correction_T_max  0.7994

_exptl_special_details           
;
;
_diffrn_ambient_temperature      100.0(5)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Microfocus Sealed tube'
_diffrn_measurement_device_type  'BrukerD8VENTURE with PHOTON 3'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean 7.3910
_diffrn_reflns_number            173675
_diffrn_reflns_av_unetI/netI     0.0645
_diffrn_reflns_av_R_equivalents  0.0829
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         1.457
_diffrn_reflns_theta_max         25.368
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             29526
_reflns_number_gt                26352
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.861
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0424P)²+119.1926P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.060(11)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         29526
_refine_ls_number_parameters     1400
_refine_ls_number_restraints     1827
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0476
_refine_ls_wR_factor_ref         0.1058
_refine_ls_wR_factor_gt          0.1032
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_restrained_S_all      1.100
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.09638(4) 0.99777(4) 0.82619(2) 0.01607(19) Uani 1 1 d . . . . .
Au2 Au 0.21884(4) 0.93887(4) 0.81178(2) 0.01613(18) Uani 1 1 d . . . . .
Au3 Au 0.11428(4) 0.88544(4) 0.85603(2) 0.01419(18) Uani 1 1 d . . . . .
Au4 Au 0.05101(4) 0.97015(4) 0.90491(2) 0.01349(17) Uani 1 1 d . . . . .
Au5 Au 0.11497(4) 1.07611(4) 0.88965(2) 0.01669(18) Uani 1 1 d . . . . .
Au6 Au 0.21999(4) 1.05722(4) 0.83289(2) 0.01587(18) Uani 1 1 d . . . . .
Au7 Au 0.24572(4) 0.87420(4) 0.88217(2) 0.01546(18) Uani 1 1 d . . . . .
Au8 Au 0.14283(4) 0.89561(4) 0.93934(2) 0.01383(18) Uani 1 1 d . . . . .
Au9 Au 0.14820(4) 1.01505(4) 0.95860(2) 0.01577(18) Uani 1 1 d . . . . .
Au10 Au 0.25114(4) 1.06685(4) 0.91363(2) 0.01678(18) Uani 1 1 d . . . . .
Au11 Au 0.31344(4) 0.97890(4) 0.86660(2) 0.01594(18) Uani 1 1 d . . . . .
Au12 Au 0.26797(4) 0.95406(4) 0.94514(2) 0.01598(18) Uani 1 1 d . . . . .
Ir1 Ir 0.18209(4) 0.97570(4) 0.88556(2) 0.01282(16) Uani 1 1 d . . . . .
Cl1 Cl 0.0177(3) 1.0168(3) 0.77425(15) 0.0273(13) Uani 1 1 d . . . . .
Cl2 Cl 0.3450(3) 0.9338(3) 0.99828(14) 0.0263(13) Uani 1 1 d . . . . .
P1 P 0.2748(3) 0.9255(3) 0.75310(14) 0.0203(13) Uani 1 1 d . . . . .
P2 P 0.4140(3) 0.9622(3) 0.83742(15) 0.0213(13) Uani 1 1 d . . . . .
P3 P 0.0870(3) 0.7997(3) 0.82860(16) 0.0211(13) Uani 1 1 d . . . . .
P4 P 0.2668(3) 0.7796(3) 0.88229(16) 0.0199(13) Uani 1 1 d . . . . .
P5 P -0.0512(2) 0.9419(2) 0.92616(14) 0.0145(11) Uani 1 1 d . . . . .
P6 P 0.0851(3) 0.8448(2) 0.98588(14) 0.0147(12) Uani 1 1 d . . . . .
P7 P 0.0486(3) 1.1476(3) 0.91046(17) 0.0246(13) Uani 1 1 d . . . . .
P8 P 0.1220(3) 1.0724(3) 1.01061(15) 0.0231(13) Uani 1 1 d . . . . .
P9 P 0.2515(3) 1.1414(3) 0.80514(15) 0.0192(12) Uani 1 1 d . . . . .
P10 P 0.3161(3) 1.1450(3) 0.91967(16) 0.0224(13) Uani 1 1 d . . . . .
P20 P 0.4532(4) 1.3332(4) 0.8153(3) 0.055(2) Uani 1 1 d . . . . .
F21 F 0.3926(12) 1.3157(13) 0.7920(10) 0.154(13) Uani 1 1 d . . . . .
F22 F 0.4808(12) 1.2706(10) 0.8211(9) 0.123(10) Uani 1 1 d . . . . .
F23 F 0.4183(15) 1.3331(15) 0.8540(7) 0.160(13) Uani 1 1 d . . . . .
F24 F 0.4885(17) 1.3367(16) 0.7760(7) 0.189(18) Uani 1 1 d . . . . .
F25 F 0.5161(12) 1.3537(11) 0.8341(11) 0.154(13) Uani 1 1 d . . . . .
F26 F 0.4305(15) 1.3956(10) 0.8095(11) 0.167(15) Uani 1 1 d . . . . .
O1G O 0.3326(8) 0.9488(8) 0.6731(4) 0.033(3) Uani 1 1 d . U . . .
O2G O 0.5463(7) 0.9087(8) 0.8153(5) 0.041(3) Uani 1 1 d . U . . .
O3G O 0.0705(8) 0.7077(9) 0.7685(5) 0.046(3) Uani 1 1 d . U . . .
O4G O 0.2903(8) 0.6585(7) 0.9104(5) 0.036(3) Uani 1 1 d . U . . .
O5G O -0.1918(7) 0.8943(7) 0.9294(4) 0.030(3) Uani 1 1 d . U . . .
O6G O 0.0288(7) 0.8077(8) 1.0637(4) 0.032(3) Uani 1 1 d . U . . .
O7G O -0.0669(9) 1.2240(9) 0.9267(6) 0.053(4) Uani 1 1 d . U . . .
O8G O 0.1355(9) 1.1576(8) 1.0778(4) 0.039(3) Uani 1 1 d . U . . .
O9G O 0.2427(9) 1.2598(8) 0.7740(5) 0.044(3) Uani 1 1 d . U . . .
O10G O 0.4302(9) 1.2229(9) 0.9313(6) 0.054(4) Uani 1 1 d . U . . .
C1A C 0.2391(7) 0.9671(6) 0.7122(3) 0.026(3) Uani 1 1 d G U . . .
C1B C 0.1779(6) 0.9926(7) 0.7182(3) 0.027(3) Uani 1 1 d G U . . .
H1B H 0.154569 0.986601 0.742260 0.033 Uiso 1 1 calc R U . . .
C1C C 0.1509(6) 1.0269(7) 0.6889(4) 0.032(3) Uani 1 1 d G U . . .
H1C H 0.109049 1.044397 0.692945 0.038 Uiso 1 1 calc R U . . .
C1D C 0.1850(7) 1.0357(6) 0.6536(3) 0.035(3) Uani 1 1 d G U . . .
H1D H 0.166497 1.059208 0.633620 0.043 Uiso 1 1 calc R U . . .
C1E C 0.2461(7) 1.0102(7) 0.6477(3) 0.034(3) Uani 1 1 d G U . . .
H1E H 0.269464 1.016222 0.623609 0.040 Uiso 1 1 calc R U . . .
C1F C 0.2732(6) 0.9759(7) 0.6770(4) 0.031(3) Uani 1 1 d G U . . .
C1H C 0.3746(12) 0.9650(11) 0.6415(6) 0.038(5) Uani 1 1 d . U . . .
H1H1 H 0.415170 0.942242 0.642328 0.057 Uiso 1 1 calc R U . . .
H1H2 H 0.351935 0.958731 0.616217 0.057 Uiso 1 1 calc R U . . .
H1H3 H 0.385921 1.005185 0.644129 0.057 Uiso 1 1 calc R U . . .
C1I C 0.2846(8) 0.8540(5) 0.7332(4) 0.034(4) Uani 1 1 d G U . . .
C1J C 0.3455(7) 0.8295(7) 0.7248(5) 0.037(4) Uani 1 1 d G U . . .
H1J H 0.385188 0.849877 0.729778 0.044 Uiso 1 1 calc R U . . .
C1K C 0.3485(7) 0.7751(7) 0.7090(5) 0.040(4) Uani 1 1 d G U . . .
H1K H 0.390094 0.758367 0.703283 0.048 Uiso 1 1 calc R U . . .
C1L C 0.2904(9) 0.7453(5) 0.7017(5) 0.042(4) Uani 1 1 d G U . . .
H1L H 0.292442 0.708109 0.690993 0.051 Uiso 1 1 calc R U . . .
C1M C 0.2295(7) 0.7698(7) 0.7102(5) 0.043(4) Uani 1 1 d G U . . .
H1M H 0.189883 0.749363 0.705198 0.051 Uiso 1 1 calc R U . . .
C1N C 0.2266(7) 0.8241(7) 0.7259(5) 0.039(4) Uani 1 1 d G U . . .
H1N H 0.184975 0.840873 0.731693 0.047 Uiso 1 1 calc R U . . .
C1O C 0.3594(10) 0.9517(10) 0.7607(6) 0.024(4) Uani 1 1 d . U . . .
H1O1 H 0.384523 0.947275 0.735710 0.028 Uiso 1 1 calc R U . . .
H1O2 H 0.357517 0.992702 0.766899 0.028 Uiso 1 1 calc R U . . .
C2A C 0.4691(7) 0.9186(7) 0.8682(4) 0.039(3) Uani 1 1 d G U . . .
C2B C 0.4504(6) 0.9094(7) 0.9073(5) 0.042(4) Uani 1 1 d G U . . .
H2B H 0.410921 0.925893 0.917313 0.051 Uiso 1 1 calc R U . . .
C2C C 0.4896(7) 0.8761(8) 0.9319(4) 0.044(4) Uani 1 1 d G U . . .
H2C H 0.476850 0.869775 0.958651 0.053 Uiso 1 1 calc R U . . .
C2D C 0.5474(7) 0.8519(7) 0.9173(5) 0.045(4) Uani 1 1 d G U . . .
H2D H 0.574178 0.829147 0.934109 0.055 Uiso 1 1 calc R U . . .
C2E C 0.5661(6) 0.8611(8) 0.8782(5) 0.044(3) Uani 1 1 d G U . . .
H2E H 0.605578 0.844637 0.868228 0.053 Uiso 1 1 calc R U . . .
C2F C 0.5269(7) 0.8945(8) 0.8536(4) 0.041(3) Uani 1 1 d G U . . .
C2H C 0.6028(11) 0.8830(13) 0.7997(8) 0.048(5) Uani 1 1 d . U . . .
H2H1 H 0.610502 0.896929 0.772724 0.072 Uiso 1 1 calc R U . . .
H2H2 H 0.641090 0.892260 0.816359 0.072 Uiso 1 1 calc R U . . .
H2H3 H 0.596639 0.841863 0.799117 0.072 Uiso 1 1 calc R U . . .
C2I C 0.4648(7) 1.0230(6) 0.8247(5) 0.034(3) Uani 1 1 d G U . . .
C2J C 0.4960(7) 1.0283(6) 0.7882(4) 0.037(4) Uani 1 1 d G U . . .
H2J H 0.493389 0.998452 0.769370 0.044 Uiso 1 1 calc R U . . .
C2K C 0.5309(7) 1.0774(7) 0.7792(4) 0.042(4) Uani 1 1 d G U . . .
H2K H 0.552227 1.081018 0.754197 0.050 Uiso 1 1 calc R U . . .
C2L C 0.5347(7) 1.1211(6) 0.8067(5) 0.042(4) Uani 1 1 d G U . . .
H2L H 0.558549 1.154597 0.800523 0.050 Uiso 1 1 calc R U . . .
C2M C 0.5035(8) 1.1157(6) 0.8432(4) 0.039(4) Uani 1 1 d G U . . .
H2M H 0.506034 1.145611 0.862022 0.047 Uiso 1 1 calc R U . . .
C2N C 0.4685(7) 1.0667(7) 0.8522(4) 0.036(4) Uani 1 1 d G U . . .
H2N H 0.447195 1.063046 0.877195 0.043 Uiso 1 1 calc R U . . .
C2O C 0.3981(11) 0.9204(10) 0.7951(6) 0.023(4) Uani 1 1 d . U . . .
H2O1 H 0.440790 0.906682 0.784416 0.027 Uiso 1 1 calc R U . . .
H2O2 H 0.372128 0.886836 0.803280 0.027 Uiso 1 1 calc R U . . .
C3A C 0.0622(9) 0.8067(8) 0.7771(3) 0.044(4) Uani 1 1 d G U . . .
C3B C 0.0500(9) 0.8600(7) 0.7613(5) 0.047(4) Uani 1 1 d G U . . .
H3B H 0.050734 0.892431 0.778054 0.056 Uiso 1 1 calc R U . . .
C3C C 0.0366(9) 0.8660(7) 0.7211(5) 0.050(4) Uani 1 1 d G U . . .
H3C H 0.028201 0.902522 0.710380 0.060 Uiso 1 1 calc R U . . .
C3D C 0.0354(9) 0.8186(9) 0.6967(3) 0.053(4) Uani 1 1 d G U . . .
H3D H 0.026279 0.822740 0.669231 0.063 Uiso 1 1 calc R U . . .
C3E C 0.0477(9) 0.7653(7) 0.7125(4) 0.051(4) Uani 1 1 d G U . . .
H3E H 0.046888 0.732867 0.695755 0.062 Uiso 1 1 calc R U . . .
C3F C 0.0611(9) 0.7593(7) 0.7527(5) 0.047(3) Uani 1 1 d G U . . .
C3H C 0.0780(14) 0.6612(13) 0.7410(8) 0.053(6) Uani 1 1 d . U . . .
H3H1 H 0.084582 0.625918 0.755824 0.080 Uiso 1 1 calc R U . . .
H3H2 H 0.038110 0.657991 0.724656 0.080 Uiso 1 1 calc R U . . .
H3H3 H 0.116392 0.668082 0.723939 0.080 Uiso 1 1 calc R U . . .
C3I C 0.0211(6) 0.7599(6) 0.8523(4) 0.024(3) Uani 1 1 d G U . . .
C3J C -0.0358(7) 0.7899(4) 0.8620(4) 0.025(3) Uani 1 1 d G U . . .
H3J H -0.038005 0.829519 0.857391 0.031 Uiso 1 1 calc R U . . .
C3K C -0.0896(6) 0.7618(6) 0.8785(4) 0.029(3) Uani 1 1 d G U . . .
H3K H -0.128524 0.782213 0.885212 0.035 Uiso 1 1 calc R U . . .
C3L C -0.0864(6) 0.7037(6) 0.8853(5) 0.033(3) Uani 1 1 d G U . . .
H3L H -0.123179 0.684544 0.896602 0.040 Uiso 1 1 calc R U . . .
C3M C -0.0295(7) 0.6738(5) 0.8755(5) 0.033(3) Uani 1 1 d G U . . .
H3M H -0.027314 0.634179 0.880172 0.039 Uiso 1 1 calc R U . . .
C3N C 0.0243(6) 0.7019(6) 0.8590(5) 0.030(3) Uani 1 1 d G U . . .
H3N H 0.063205 0.681483 0.852351 0.036 Uiso 1 1 calc R U . . .
C3O C 0.1602(11) 0.7546(10) 0.8293(7) 0.031(4) Uani 1 1 d . U . . .
H3O1 H 0.148834 0.717381 0.817612 0.037 Uiso 1 1 calc R U . . .
H3O2 H 0.194933 0.771981 0.812632 0.037 Uiso 1 1 calc R U . . .
C4A C 0.2933(7) 0.7534(6) 0.9307(3) 0.023(3) Uani 1 1 d G U . . .
C4B C 0.3052(7) 0.7944(5) 0.9594(4) 0.024(3) Uani 1 1 d G U . . .
H4B H 0.301107 0.833408 0.952901 0.029 Uiso 1 1 calc R U . . .
C4C C 0.3229(7) 0.7783(5) 0.9976(4) 0.025(3) Uani 1 1 d G U . . .
H4C H 0.331053 0.806343 1.017175 0.030 Uiso 1 1 calc R U . . .
C4D C 0.3289(7) 0.7212(6) 1.0070(3) 0.028(3) Uani 1 1 d G U . . .
H4D H 0.341036 0.710255 1.033122 0.034 Uiso 1 1 calc R U . . .
C4E C 0.3170(7) 0.6802(5) 0.9783(4) 0.030(3) Uani 1 1 d G U . . .
H4E H 0.321074 0.641231 0.984795 0.036 Uiso 1 1 calc R U . . .
C4F C 0.2992(7) 0.6963(5) 0.9401(4) 0.029(3) Uani 1 1 d G U . . .
C4H C 0.3050(15) 0.5994(11) 0.9153(9) 0.053(6) Uani 1 1 d . U . . .
H4H1 H 0.295321 0.579253 0.890539 0.079 Uiso 1 1 calc R U . . .
H4H2 H 0.351901 0.594833 0.921881 0.079 Uiso 1 1 calc R U . . .
H4H3 H 0.277790 0.583835 0.936691 0.079 Uiso 1 1 calc R U . . .
C4I C 0.3251(7) 0.7488(7) 0.8466(4) 0.033(3) Uani 1 1 d G U . . .
C4J C 0.3118(6) 0.6999(7) 0.8252(5) 0.038(4) Uani 1 1 d G U . . .
H4J H 0.271740 0.679745 0.829597 0.045 Uiso 1 1 calc R U . . .
C4K C 0.3570(8) 0.6803(6) 0.7973(4) 0.040(4) Uani 1 1 d G U . . .
H4K H 0.347869 0.646882 0.782671 0.048 Uiso 1 1 calc R U . . .
C4L C 0.4156(7) 0.7098(7) 0.7909(4) 0.039(4) Uani 1 1 d G U . . .
H4L H 0.446473 0.696454 0.771834 0.046 Uiso 1 1 calc R U . . .
C4M C 0.4289(6) 0.7588(7) 0.8123(5) 0.036(4) Uani 1 1 d G U . . .
H4M H 0.468949 0.778889 0.807922 0.043 Uiso 1 1 calc R U . . .
C4N C 0.3837(7) 0.7783(6) 0.8402(4) 0.032(3) Uani 1 1 d G U . . .
H4N H 0.392820 0.811754 0.854848 0.039 Uiso 1 1 calc R U . . .
C4O C 0.1894(10) 0.7447(10) 0.8734(7) 0.029(4) Uani 1 1 d . U . . .
H4O1 H 0.195321 0.703526 0.877733 0.034 Uiso 1 1 calc R U . . .
H4O2 H 0.156616 0.758403 0.892973 0.034 Uiso 1 1 calc R U . . .
C5A C -0.1086(6) 0.9275(6) 0.8854(3) 0.022(3) Uani 1 1 d G U . . .
C5B C -0.0872(5) 0.9417(6) 0.8475(4) 0.023(3) Uani 1 1 d G U . . .
H5B H -0.043779 0.956013 0.843629 0.028 Uiso 1 1 calc R U . . .
C5C C -0.1294(6) 0.9350(7) 0.8153(3) 0.026(3) Uani 1 1 d G U . . .
H5C H -0.114784 0.944698 0.789417 0.032 Uiso 1 1 calc R U . . .
C5D C -0.1930(6) 0.9141(7) 0.8210(3) 0.028(3) Uani 1 1 d G U . . .
H5D H -0.221824 0.909499 0.798971 0.034 Uiso 1 1 calc R U . . .
C5E C -0.2144(5) 0.8999(6) 0.8589(4) 0.027(3) Uani 1 1 d G U . . .
H5E H -0.257860 0.885614 0.862738 0.033 Uiso 1 1 calc R U . . .
C5F C -0.1722(6) 0.9066(6) 0.8911(3) 0.027(3) Uani 1 1 d G U . . .
C5H C -0.2584(12) 0.8793(13) 0.9378(8) 0.051(5) Uani 1 1 d . U . . .
H5H1 H -0.263173 0.872109 0.966271 0.076 Uiso 1 1 calc R U . . .
H5H2 H -0.287750 0.910388 0.929992 0.076 Uiso 1 1 calc R U . . .
H5H3 H -0.270114 0.845067 0.922967 0.076 Uiso 1 1 calc R U . . .
C5I C -0.0987(7) 0.9887(6) 0.9593(4) 0.028(3) Uani 1 1 d G U . . .
C5J C -0.1187(7) 1.0404(6) 0.9435(3) 0.032(3) Uani 1 1 d G U . . .
H5J H -0.107780 1.049771 0.916900 0.038 Uiso 1 1 calc R U . . .
C5K C -0.1546(8) 1.0782(5) 0.9666(4) 0.035(3) Uani 1 1 d G U . . .
H5K H -0.168244 1.113484 0.955774 0.043 Uiso 1 1 calc R U . . .
C5L C -0.1706(8) 1.0644(6) 1.0055(4) 0.037(3) Uani 1 1 d G U . . .
H5L H -0.195113 1.090303 1.021268 0.044 Uiso 1 1 calc R U . . .
C5M C -0.1506(8) 1.0128(7) 1.0213(3) 0.036(3) Uani 1 1 d G U . . .
H5M H -0.161518 1.003407 1.047888 0.044 Uiso 1 1 calc R U . . .
C5N C -0.1147(7) 0.9750(5) 0.9982(4) 0.031(3) Uani 1 1 d G U . . .
H5N H -0.101054 0.939693 1.009015 0.038 Uiso 1 1 calc R U . . .
C5O C -0.0393(10) 0.8739(9) 0.9521(6) 0.017(4) Uani 1 1 d . U . . .
H5O1 H -0.083277 0.857825 0.958540 0.021 Uiso 1 1 calc R U . . .
H5O2 H -0.016947 0.847106 0.933864 0.021 Uiso 1 1 calc R U . . .
C6A C 0.1215(6) 0.8494(8) 1.0357(3) 0.029(3) Uani 1 1 d G U . . .
C6B C 0.1846(6) 0.8724(7) 1.0389(3) 0.030(3) Uani 1 1 d G U . . .
H6B H 0.206403 0.886567 1.016034 0.036 Uiso 1 1 calc R U . . .
C6C C 0.2157(6) 0.8748(7) 1.0756(4) 0.033(3) Uani 1 1 d G U . . .
H6C H 0.258796 0.890472 1.077831 0.040 Uiso 1 1 calc R U . . .
C6D C 0.1837(7) 0.8541(8) 1.1091(3) 0.034(3) Uani 1 1 d G U . . .
H6D H 0.205007 0.855653 1.134215 0.041 Uiso 1 1 calc R U . . .
C6E C 0.1207(7) 0.8311(7) 1.1059(3) 0.033(3) Uani 1 1 d G U . . .
H6E H 0.098823 0.816929 1.128805 0.039 Uiso 1 1 calc R U . . .
C6F C 0.0895(6) 0.8287(7) 1.0692(4) 0.031(3) Uani 1 1 d G U . . .
C6H C -0.0083(11) 0.7907(12) 1.0974(6) 0.033(5) Uani 1 1 d . U . . .
H6H1 H -0.051431 0.776269 1.088793 0.050 Uiso 1 1 calc R U . . .
H6H2 H 0.015681 0.760793 1.111513 0.050 Uiso 1 1 calc R U . . .
H6H3 H -0.014666 0.823209 1.114990 0.050 Uiso 1 1 calc R U . . .
C6I C 0.0728(6) 0.7683(4) 0.9800(4) 0.021(3) Uani 1 1 d G U . . .
C6J C 0.0105(5) 0.7433(6) 0.9793(4) 0.022(3) Uani 1 1 d G U . . .
H6J H -0.027888 0.766007 0.982672 0.026 Uiso 1 1 calc R U . . .
C6K C 0.0044(5) 0.6853(6) 0.9736(4) 0.025(3) Uani 1 1 d G U . . .
H6K H -0.038126 0.668232 0.973068 0.029 Uiso 1 1 calc R U . . .
C6L C 0.0607(7) 0.6521(4) 0.9686(4) 0.026(3) Uani 1 1 d G U . . .
H6L H 0.056504 0.612403 0.964690 0.031 Uiso 1 1 calc R U . . .
C6M C 0.1230(5) 0.6770(5) 0.9693(4) 0.026(3) Uani 1 1 d G U . . .
H6M H 0.161373 0.654350 0.965916 0.032 Uiso 1 1 calc R U . . .
C6N C 0.1290(5) 0.7351(6) 0.9750(4) 0.022(3) Uani 1 1 d G U . . .
H6N H 0.171613 0.752126 0.975519 0.027 Uiso 1 1 calc R U . . .
C6O C 0.0002(10) 0.8783(9) 0.9892(6) 0.019(4) Uani 1 1 d . U . . .
H6O1 H -0.024701 0.859945 1.010999 0.022 Uiso 1 1 calc R U . . .
H6O2 H 0.005336 0.918840 0.996089 0.022 Uiso 1 1 calc R U . . .
C7A C -0.0330(6) 1.1482(8) 0.8880(5) 0.045(4) Uani 1 1 d G U . . .
C7B C -0.0464(7) 1.1064(7) 0.8602(5) 0.042(4) Uani 1 1 d G U . . .
H7B H -0.012799 1.080295 0.852741 0.050 Uiso 1 1 calc R U . . .
C7C C -0.1089(8) 1.1026(7) 0.8432(5) 0.045(4) Uani 1 1 d G U . . .
H7C H -0.118056 1.074000 0.824200 0.054 Uiso 1 1 calc R U . . .
C7D C -0.1581(6) 1.1408(8) 0.8541(5) 0.047(4) Uani 1 1 d G U . . .
H7D H -0.200785 1.138211 0.842510 0.057 Uiso 1 1 calc R U . . .
C7E C -0.1447(8) 1.1826(7) 0.8819(5) 0.047(4) Uani 1 1 d G U . . .
H7E H -0.178258 1.208717 0.889362 0.057 Uiso 1 1 calc R U . . .
C7F C -0.0821(9) 1.1864(7) 0.8989(5) 0.049(3) Uani 1 1 d G U . . .
C7H C -0.1087(16) 1.2719(14) 0.9322(10) 0.069(6) Uani 1 1 d . U . . .
H7H1 H -0.091099 1.295584 0.953555 0.103 Uiso 1 1 calc R U . . .
H7H2 H -0.110494 1.293959 0.907574 0.103 Uiso 1 1 calc R U . . .
H7H3 H -0.153350 1.259111 0.939140 0.103 Uiso 1 1 calc R U . . .
C7I C 0.0769(9) 1.2206(5) 0.9027(5) 0.037(4) Uani 1 1 d G U . . .
C7J C 0.0749(9) 1.2623(7) 0.9317(4) 0.041(4) Uani 1 1 d G U . . .
H7J H 0.060015 1.253301 0.957700 0.050 Uiso 1 1 calc R U . . .
C7K C 0.0947(9) 1.3173(6) 0.9228(4) 0.044(4) Uani 1 1 d G U . . .
H7K H 0.093329 1.345768 0.942667 0.052 Uiso 1 1 calc R U . . .
C7L C 0.1165(9) 1.3305(5) 0.8848(5) 0.043(4) Uani 1 1 d G U . . .
H7L H 0.129986 1.367992 0.878734 0.051 Uiso 1 1 calc R U . . .
C7M C 0.1184(9) 1.2887(6) 0.8558(4) 0.040(4) Uani 1 1 d G U . . .
H7M H 0.133329 1.297749 0.829832 0.048 Uiso 1 1 calc R U . . .
C7N C 0.0987(9) 1.2338(6) 0.8647(4) 0.038(4) Uani 1 1 d G U . . .
H7N H 0.100015 1.205281 0.844864 0.046 Uiso 1 1 calc R U . . .
C7O C 0.0349(11) 1.1381(11) 0.9636(6) 0.029(4) Uani 1 1 d . U . . .
H7O1 H 0.003215 1.167459 0.972526 0.035 Uiso 1 1 calc R U . . .
H7O2 H 0.013572 1.100827 0.967692 0.035 Uiso 1 1 calc R U . . .
C8A C 0.1945(6) 1.0875(7) 1.0425(4) 0.033(3) Uani 1 1 d G U . . .
C8B C 0.2507(7) 1.0548(6) 1.0360(3) 0.031(3) Uani 1 1 d G U . . .
H8B H 0.251288 1.027677 1.015198 0.038 Uiso 1 1 calc R U . . .
C8C C 0.3059(6) 1.0617(7) 1.0601(4) 0.036(3) Uani 1 1 d G U . . .
H8C H 0.344331 1.039320 1.055661 0.043 Uiso 1 1 calc R U . . .
C8D C 0.3051(6) 1.1013(7) 1.0905(4) 0.038(3) Uani 1 1 d G U . . .
H8D H 0.342836 1.106039 1.106953 0.046 Uiso 1 1 calc R U . . .
C8E C 0.2489(8) 1.1340(6) 1.0970(4) 0.038(3) Uani 1 1 d G U . . .
H8E H 0.248298 1.161116 1.117784 0.046 Uiso 1 1 calc R U . . .
C8F C 0.1936(7) 1.1271(7) 1.0729(4) 0.037(3) Uani 1 1 d G U . . .
C8H C 0.1302(16) 1.1946(13) 1.1128(8) 0.058(6) Uani 1 1 d . U . . .
H8H1 H 0.087103 1.213570 1.112665 0.087 Uiso 1 1 calc R U . . .
H8H2 H 0.134510 1.171723 1.136875 0.087 Uiso 1 1 calc R U . . .
H8H3 H 0.165495 1.223026 1.112037 0.087 Uiso 1 1 calc R U . . .
C8I C 0.0567(6) 1.0478(6) 1.0442(4) 0.027(3) Uani 1 1 d G U . . .
C8J C 0.0589(6) 0.9909(6) 1.0547(4) 0.028(3) Uani 1 1 d G U . . .
H8J H 0.091691 0.966855 1.043517 0.034 Uiso 1 1 calc R U . . .
C8K C 0.0132(7) 0.9692(5) 1.0815(4) 0.031(3) Uani 1 1 d G U . . .
H8K H 0.014790 0.930276 1.088608 0.037 Uiso 1 1 calc R U . . .
C8L C -0.0347(6) 1.0044(6) 1.0978(4) 0.034(3) Uani 1 1 d G U . . .
H8L H -0.065918 0.989513 1.116078 0.041 Uiso 1 1 calc R U . . .
C8M C -0.0370(6) 1.0613(6) 1.0873(4) 0.035(3) Uani 1 1 d G U . . .
H8M H -0.069726 1.085328 1.098457 0.042 Uiso 1 1 calc R U . . .
C8N C 0.0087(7) 1.0830(5) 1.0605(4) 0.032(3) Uani 1 1 d G U . . .
H8N H 0.007175 1.121907 1.053364 0.038 Uiso 1 1 calc R U . . .
C8O C 0.0942(12) 1.1411(10) 0.9892(7) 0.029(4) Uani 1 1 d . U . . .
H8O1 H 0.084903 1.167583 1.011266 0.034 Uiso 1 1 calc R U . . .
H8O2 H 0.131026 1.157261 0.973536 0.034 Uiso 1 1 calc R U . . .
C9A C 0.1854(7) 1.1747(7) 0.7771(4) 0.034(3) Uani 1 1 d G U . . .
C9B C 0.1338(8) 1.1396(5) 0.7654(5) 0.035(3) Uani 1 1 d G U . . .
H9B H 0.130895 1.102107 0.775515 0.041 Uiso 1 1 calc R U . . .
C9C C 0.0865(7) 1.1592(7) 0.7388(5) 0.038(4) Uani 1 1 d G U . . .
H9C H 0.051283 1.135161 0.730781 0.046 Uiso 1 1 calc R U . . .
C9D C 0.0908(7) 1.2140(7) 0.7239(5) 0.041(4) Uani 1 1 d G U . . .
H9D H 0.058489 1.227413 0.705776 0.050 Uiso 1 1 calc R U . . .
C9E C 0.1424(8) 1.2492(6) 0.7357(5) 0.042(3) Uani 1 1 d G U . . .
H9E H 0.145308 1.286612 0.725505 0.050 Uiso 1 1 calc R U . . .
C9F C 0.1897(7) 1.2295(6) 0.7622(5) 0.039(3) Uani 1 1 d G U . . .
C9H C 0.2498(17) 1.3122(13) 0.7561(10) 0.071(6) Uani 1 1 d . U . . .
H9H1 H 0.289413 1.331031 0.766482 0.107 Uiso 1 1 calc R U . . .
H9H2 H 0.254217 1.307228 0.727388 0.107 Uiso 1 1 calc R U . . .
H9H3 H 0.210811 1.335556 0.761756 0.107 Uiso 1 1 calc R U . . .
C9I C 0.3206(7) 1.1449(7) 0.7710(4) 0.034(3) Uani 1 1 d G U . . .
C9J C 0.3702(8) 1.1856(6) 0.7728(4) 0.037(4) Uani 1 1 d G U . . .
H9J H 0.370524 1.212491 0.793789 0.045 Uiso 1 1 calc R U . . .
C9K C 0.4193(7) 1.1871(6) 0.7440(5) 0.037(4) Uani 1 1 d G U . . .
H9K H 0.453138 1.214890 0.745225 0.044 Uiso 1 1 calc R U . . .
C9L C 0.4187(7) 1.1478(7) 0.7133(4) 0.035(3) Uani 1 1 d G U . . .
H9L H 0.452290 1.148742 0.693566 0.043 Uiso 1 1 calc R U . . .
C9M C 0.3692(8) 1.1071(6) 0.7114(4) 0.035(3) Uani 1 1 d G U . . .
H9M H 0.368827 1.080195 0.690470 0.042 Uiso 1 1 calc R U . . .
C9N C 0.3201(7) 1.1056(6) 0.7403(4) 0.033(3) Uani 1 1 d G U . . .
H9N H 0.286212 1.077796 0.739034 0.039 Uiso 1 1 calc R U . . .
C9O C 0.2707(13) 1.1896(10) 0.8463(6) 0.035(5) Uani 1 1 d . U . . .
H9O1 H 0.277531 1.228319 0.835775 0.042 Uiso 1 1 calc R U . . .
H9O2 H 0.232601 1.190874 0.864775 0.042 Uiso 1 1 calc R U . . .
C10A C 0.3945(7) 1.1290(7) 0.9446(5) 0.041(4) Uani 1 1 d G U . . .
C10B C 0.4036(7) 1.0755(7) 0.9609(5) 0.042(4) Uani 1 1 d G U . . .
H10B H 0.370820 1.047074 0.957372 0.050 Uiso 1 1 calc R U . . .
C10C C 0.4607(8) 1.0635(6) 0.9822(5) 0.046(4) Uani 1 1 d G U . . .
H10C H 0.466962 1.026863 0.993330 0.056 Uiso 1 1 calc R U . . .
C10D C 0.5087(7) 1.1050(8) 0.9873(5) 0.050(4) Uani 1 1 d G U . . .
H10D H 0.547753 1.096785 1.001928 0.059 Uiso 1 1 calc R U . . .
C10E C 0.4996(7) 1.1585(7) 0.9711(5) 0.050(4) Uani 1 1 d G U . . .
H10E H 0.532404 1.186917 0.974567 0.060 Uiso 1 1 calc R U . . .
C10F C 0.4425(9) 1.1705(6) 0.9497(5) 0.048(3) Uani 1 1 d G U . . .
C10H C 0.4589(17) 1.2692(14) 0.9454(11) 0.076(7) Uani 1 1 d . U . . .
H10A H 0.445419 1.301983 0.929456 0.114 Uiso 1 1 calc R U . . .
H10F H 0.445493 1.275026 0.972985 0.114 Uiso 1 1 calc R U . . .
H10G H 0.507081 1.264908 0.944026 0.114 Uiso 1 1 calc R U . . .
C10I C 0.2834(9) 1.2090(6) 0.9454(5) 0.043(4) Uani 1 1 d G U . . .
C10J C 0.2800(9) 1.2626(7) 0.9285(4) 0.046(4) Uani 1 1 d G U . . .
H10J H 0.295037 1.268377 0.902080 0.055 Uiso 1 1 calc R U . . .
C10K C 0.2547(10) 1.3078(5) 0.9501(5) 0.051(4) Uani 1 1 d G U . . .
H10K H 0.252406 1.344383 0.938551 0.061 Uiso 1 1 calc R U . . .
C10L C 0.2328(9) 1.2993(6) 0.9887(5) 0.050(4) Uani 1 1 d G U . . .
H10L H 0.215487 1.330162 1.003539 0.060 Uiso 1 1 calc R U . . .
C10M C 0.2362(9) 1.2457(7) 1.0057(4) 0.048(4) Uani 1 1 d G U . . .
H10M H 0.221198 1.239936 1.032056 0.058 Uiso 1 1 calc R U . . .
C10N C 0.2615(9) 1.2006(5) 0.9840(5) 0.044(4) Uani 1 1 d G U . . .
H10N H 0.263829 1.163929 0.995586 0.053 Uiso 1 1 calc R U . . .
C10O C 0.3364(13) 1.1699(11) 0.8704(6) 0.034(5) Uani 1 1 d . U . . .
H10H H 0.367386 1.202242 0.872410 0.040 Uiso 1 1 calc R U . . .
H10I H 0.358789 1.139243 0.855568 0.040 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 Cl1 2.408(5) . ?
Au1 Ir1 2.6987(11) . ?
Au1 Au5 2.8537(11) . ?
Au1 Au3 2.8592(12) . ?
Au1 Au6 2.8746(11) . ?
Au1 Au2 2.8804(12) . ?
Au1 Au4 2.8840(10) . ?
Au2 P1 2.302(5) . ?
Au2 Ir1 2.7390(11) . ?
Au2 Au11 2.8230(11) . ?
Au2 Au7 2.8746(11) . ?
Au2 Au3 2.8784(11) . ?
Au2 Au6 2.8833(12) . ?
Au3 P3 2.292(6) . ?
Au3 Ir1 2.7224(12) . ?
Au3 Au7 2.8118(11) . ?
Au3 Au8 2.8790(10) . ?
Au3 Au4 2.8903(11) . ?
Au4 P5 2.286(5) . ?
Au4 Ir1 2.7320(11) . ?
Au4 Au8 2.8090(11) . ?
Au4 Au5 2.8625(12) . ?
Au4 Au9 2.8746(11) . ?
Au5 P7 2.266(6) . ?
Au5 Ir1 2.7348(12) . ?
Au5 Au9 2.8177(11) . ?
Au5 Au10 2.8773(11) . ?
Au5 Au6 2.8934(11) . ?
Au6 P9 2.287(6) . ?
Au6 Ir1 2.7290(11) . ?
Au6 Au10 2.8047(10) . ?
Au6 Au11 2.8774(11) . ?
Au7 P4 2.272(6) . ?
Au7 Ir1 2.7219(12) . ?
Au7 Au11 2.8739(12) . ?
Au7 Au12 2.8757(11) . ?
Au7 Au8 2.8809(11) . ?
Au8 P6 2.294(5) . ?
Au8 Ir1 2.7378(11) . ?
Au8 Au12 2.8879(11) . ?
Au8 Au9 2.8957(12) . ?
Au9 P8 2.278(5) . ?
Au9 Ir1 2.7209(11) . ?
Au9 Au10 2.8508(11) . ?
Au9 Au12 2.8531(12) . ?
Au10 P10 2.274(6) . ?
Au10 Ir1 2.7341(12) . ?
Au10 Au12 2.8871(12) . ?
Au10 Au11 2.9007(12) . ?
Au11 P2 2.292(6) . ?
Au11 Ir1 2.7320(11) . ?
Au11 Au12 2.8651(10) . ?
Au12 Cl2 2.422(5) . ?
Au12 Ir1 2.7044(11) . ?
P1 C1I 1.828(13) . ?
P1 C1O 1.84(2) . ?
P1 C1A 1.840(11) . ?
P2 C2O 1.77(2) . ?
P2 C2I 1.815(12) . ?
P2 C2A 1.839(12) . ?
P3 C3I 1.815(11) . ?
P3 C3A 1.815(13) . ?
P3 C3O 1.82(2) . ?
P4 C4O 1.79(2) . ?
P4 C4A 1.826(11) . ?
P4 C4I 1.835(11) . ?
P5 C5A 1.832(10) . ?
P5 C5I 1.843(12) . ?
P5 C5O 1.84(2) . ?
P6 C6I 1.835(12) . ?
P6 C6A 1.838(10) . ?
P6 C6O 1.89(2) . ?
P7 C7A 1.816(13) . ?
P7 C7O 1.83(2) . ?
P7 C7I 1.835(13) . ?
P8 C8I 1.834(11) . ?
P8 C8A 1.853(12) . ?
P8 C8O 1.86(2) . ?
P9 C9I 1.813(11) . ?
P9 C9A 1.816(12) . ?
P9 C9O 1.84(2) . ?
P10 C10O 1.81(2) . ?
P10 C10A 1.834(12) . ?
P10 C10I 1.863(14) . ?
P20 F23 1.49(2) . ?
P20 F25 1.50(2) . ?
P20 F24 1.51(2) . ?
P20 F21 1.51(2) . ?
P20 F26 1.56(2) . ?
P20 F22 1.59(2) . ?
O1G C1F 1.367(19) . ?
O1G C1H 1.41(2) . ?
O2G C2F 1.39(2) . ?
O2G C2H 1.40(3) . ?
O3G C3F 1.34(2) . ?
O3G C3H 1.44(3) . ?
O4G C4F 1.355(19) . ?
O4G C4H 1.44(3) . ?
O5G C5F 1.382(18) . ?
O5G C5H 1.42(3) . ?
O6G C6F 1.337(18) . ?
O6G C6H 1.42(2) . ?
O7G C7F 1.33(2) . ?
O7G C7H 1.42(3) . ?
O8G C8F 1.39(2) . ?
O8G C8H 1.47(3) . ?
O9G C9F 1.35(2) . ?
O9G C9H 1.38(3) . ?
O10G C10H 1.32(3) . ?
O10G C10F 1.41(2) . ?
C1A C1B 1.3900 . ?
C1A C1F 1.3900 . ?
C1B C1C 1.3900 . ?
C1C C1D 1.3900 . ?
C1D C1E 1.3900 . ?
C1E C1F 1.3900 . ?
C1I C1J 1.3900 . ?
C1I C1N 1.3900 . ?
C1J C1K 1.3900 . ?
C1K C1L 1.3900 . ?
C1L C1M 1.3900 . ?
C1M C1N 1.3900 . ?
C1O C2O 1.58(3) . ?
C2A C2B 1.3900 . ?
C2A C2F 1.3900 . ?
C2B C2C 1.3900 . ?
C2C C2D 1.3900 . ?
C2D C2E 1.3900 . ?
C2E C2F 1.3900 . ?
C2I C2J 1.3900 . ?
C2I C2N 1.3900 . ?
C2J C2K 1.3900 . ?
C2K C2L 1.3900 . ?
C2L C2M 1.3900 . ?
C2M C2N 1.3900 . ?
C3A C3B 1.3900 . ?
C3A C3F 1.3900 . ?
C3B C3C 1.3900 . ?
C3C C3D 1.3900 . ?
C3D C3E 1.3900 . ?
C3E C3F 1.3900 . ?
C3I C3J 1.3900 . ?
C3I C3N 1.3900 . ?
C3J C3K 1.3900 . ?
C3K C3L 1.3900 . ?
C3L C3M 1.3900 . ?
C3M C3N 1.3900 . ?
C3O C4O 1.62(3) . ?
C4A C4B 1.3900 . ?
C4A C4F 1.3900 . ?
C4B C4C 1.3900 . ?
C4C C4D 1.3900 . ?
C4D C4E 1.3900 . ?
C4E C4F 1.3900 . ?
C4I C4J 1.3900 . ?
C4I C4N 1.3900 . ?
C4J C4K 1.3900 . ?
C4K C4L 1.3900 . ?
C4L C4M 1.3900 . ?
C4M C4N 1.3900 . ?
C5A C5B 1.3900 . ?
C5A C5F 1.3900 . ?
C5B C5C 1.3900 . ?
C5C C5D 1.3900 . ?
C5D C5E 1.3900 . ?
C5E C5F 1.3900 . ?
C5I C5J 1.3900 . ?
C5I C5N 1.3900 . ?
C5J C5K 1.3900 . ?
C5K C5L 1.3900 . ?
C5L C5M 1.3900 . ?
C5M C5N 1.3900 . ?
C5O C6O 1.49(3) . ?
C6A C6B 1.3900 . ?
C6A C6F 1.3900 . ?
C6B C6C 1.3900 . ?
C6C C6D 1.3900 . ?
C6D C6E 1.3900 . ?
C6E C6F 1.3900 . ?
C6I C6J 1.3900 . ?
C6I C6N 1.3900 . ?
C6J C6K 1.3900 . ?
C6K C6L 1.3900 . ?
C6L C6M 1.3900 . ?
C6M C6N 1.3900 . ?
C7A C7B 1.3900 . ?
C7A C7F 1.3900 . ?
C7B C7C 1.3900 . ?
C7C C7D 1.3900 . ?
C7D C7E 1.3900 . ?
C7E C7F 1.3900 . ?
C7I C7J 1.3900 . ?
C7I C7N 1.3900 . ?
C7J C7K 1.3900 . ?
C7K C7L 1.3900 . ?
C7L C7M 1.3900 . ?
C7M C7N 1.3900 . ?
C7O C8O 1.48(3) . ?
C8A C8B 1.3900 . ?
C8A C8F 1.3900 . ?
C8B C8C 1.3900 . ?
C8C C8D 1.3900 . ?
C8D C8E 1.3900 . ?
C8E C8F 1.3900 . ?
C8I C8J 1.3900 . ?
C8I C8N 1.3900 . ?
C8J C8K 1.3900 . ?
C8K C8L 1.3900 . ?
C8L C8M 1.3900 . ?
C8M C8N 1.3900 . ?
C9A C9B 1.3900 . ?
C9A C9F 1.3900 . ?
C9B C9C 1.3900 . ?
C9C C9D 1.3900 . ?
C9D C9E 1.3900 . ?
C9E C9F 1.3900 . ?
C9I C9J 1.3900 . ?
C9I C9N 1.3900 . ?
C9J C9K 1.3900 . ?
C9K C9L 1.3900 . ?
C9L C9M 1.3900 . ?
C9M C9N 1.3900 . ?
C9O C10O 1.63(4) . ?
C10A C10B 1.3900 . ?
C10A C10F 1.3900 . ?
C10B C10C 1.3900 . ?
C10C C10D 1.3900 . ?
C10D C10E 1.3900 . ?
C10E C10F 1.3900 . ?
C10I C10J 1.3900 . ?
C10I C10N 1.3900 . ?
C10J C10K 1.3900 . ?
C10K C10L 1.3900 . ?
C10L C10M 1.3900 . ?
C10M C10N 1.3900 . ?

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
Cl1 Au1 Ir1 178.62(13) . . ?
Cl1 Au1 Au5 120.79(16) . . ?
Ir1 Au1 Au5 58.94(3) . . ?
Cl1 Au1 Au3 120.83(16) . . ?
Ir1 Au1 Au3 58.57(3) . . ?
Au5 Au1 Au3 108.69(3) . . ?
Cl1 Au1 Au6 122.68(14) . . ?
Ir1 Au1 Au6 58.53(3) . . ?
Au5 Au1 Au6 60.68(3) . . ?
Au3 Au1 Au6 108.37(3) . . ?
Cl1 Au1 Au2 122.30(14) . . ?
Ir1 Au1 Au2 58.70(3) . . ?
Au5 Au1 Au2 109.05(3) . . ?
Au3 Au1 Au2 60.20(3) . . ?
Au6 Au1 Au2 60.14(3) . . ?
Cl1 Au1 Au4 120.15(13) . . ?
Ir1 Au1 Au4 58.48(3) . . ?
Au5 Au1 Au4 59.85(3) . . ?
Au3 Au1 Au4 60.43(3) . . ?
Au6 Au1 Au4 108.33(3) . . ?
Au2 Au1 Au4 108.64(3) . . ?
P1 Au2 Ir1 163.37(15) . . ?
P1 Au2 Au11 106.03(14) . . ?
Ir1 Au2 Au11 58.82(3) . . ?
P1 Au2 Au7 123.01(15) . . ?
Ir1 Au2 Au7 57.95(3) . . ?
Au11 Au2 Au7 60.58(3) . . ?
P1 Au2 Au3 138.33(16) . . ?
Ir1 Au2 Au3 57.91(3) . . ?
Au11 Au2 Au3 107.72(3) . . ?
Au7 Au2 Au3 58.52(3) . . ?
P1 Au2 Au1 129.32(14) . . ?
Ir1 Au2 Au1 57.34(3) . . ?
Au11 Au2 Au1 108.05(3) . . ?
Au7 Au2 Au1 106.22(3) . . ?
Au3 Au2 Au1 59.54(3) . . ?
P1 Au2 Au6 109.93(16) . . ?
Ir1 Au2 Au6 58.01(3) . . ?
Au11 Au2 Au6 60.55(3) . . ?
Au7 Au2 Au6 108.01(3) . . ?
Au3 Au2 Au6 107.61(3) . . ?
Au1 Au2 Au6 59.83(3) . . ?
P3 Au3 Ir1 163.68(14) . . ?
P3 Au3 Au7 105.70(15) . . ?
Ir1 Au3 Au7 58.90(3) . . ?
P3 Au3 Au1 130.25(15) . . ?
Ir1 Au3 Au1 57.77(3) . . ?
Au7 Au3 Au1 108.51(3) . . ?
P3 Au3 Au2 110.74(14) . . ?
Ir1 Au3 Au2 58.48(3) . . ?
Au7 Au3 Au2 60.67(3) . . ?
Au1 Au3 Au2 60.27(3) . . ?
P3 Au3 Au8 121.05(15) . . ?
Ir1 Au3 Au8 58.44(3) . . ?
Au7 Au3 Au8 60.81(3) . . ?
Au1 Au3 Au8 106.96(3) . . ?
Au2 Au3 Au8 108.81(3) . . ?
P3 Au3 Au4 137.27(14) . . ?
Ir1 Au3 Au4 58.16(3) . . ?
Au7 Au3 Au4 107.73(3) . . ?
Au1 Au3 Au4 60.21(3) . . ?
Au2 Au3 Au4 108.52(4) . . ?
Au8 Au3 Au4 58.27(3) . . ?
P5 Au4 Ir1 164.86(15) . . ?
P5 Au4 Au8 106.53(14) . . ?
Ir1 Au4 Au8 59.20(3) . . ?
P5 Au4 Au5 136.02(15) . . ?
Ir1 Au4 Au5 58.47(3) . . ?
Au8 Au4 Au5 108.87(3) . . ?
P5 Au4 Au9 121.84(13) . . ?
Ir1 Au4 Au9 58.00(3) . . ?
Au8 Au4 Au9 61.25(3) . . ?
Au5 Au4 Au9 58.83(3) . . ?
P5 Au4 Au1 129.95(12) . . ?
Ir1 Au4 Au1 57.37(3) . . ?
Au8 Au4 Au1 108.19(3) . . ?
Au5 Au4 Au1 59.55(3) . . ?
Au9 Au4 Au1 106.22(3) . . ?
P5 Au4 Au3 112.14(15) . . ?
Ir1 Au4 Au3 57.84(3) . . ?
Au8 Au4 Au3 60.66(3) . . ?
Au5 Au4 Au3 107.59(3) . . ?
Au9 Au4 Au3 108.19(3) . . ?
Au1 Au4 Au3 59.36(3) . . ?
P7 Au5 Ir1 162.62(16) . . ?
P7 Au5 Au9 105.43(15) . . ?
Ir1 Au5 Au9 58.66(3) . . ?
P7 Au5 Au1 129.56(16) . . ?
Ir1 Au5 Au1 57.70(3) . . ?
Au9 Au5 Au1 108.60(4) . . ?
P7 Au5 Au4 109.12(16) . . ?
Ir1 Au5 Au4 58.38(3) . . ?
Au9 Au5 Au4 60.80(3) . . ?
Au1 Au5 Au4 60.60(3) . . ?
P7 Au5 Au10 122.37(16) . . ?
Ir1 Au5 Au10 58.24(3) . . ?
Au9 Au5 Au10 60.07(3) . . ?
Au1 Au5 Au10 106.71(4) . . ?
Au4 Au5 Au10 108.37(4) . . ?
P7 Au5 Au6 138.92(16) . . ?
Ir1 Au5 Au6 57.93(3) . . ?
Au9 Au5 Au6 107.01(3) . . ?
Au1 Au5 Au6 60.02(3) . . ?
Au4 Au5 Au6 108.40(4) . . ?
Au10 Au5 Au6 58.16(3) . . ?
P9 Au6 Ir1 163.20(14) . . ?
P9 Au6 Au10 105.34(14) . . ?
Ir1 Au6 Au10 59.20(3) . . ?
P9 Au6 Au1 129.34(14) . . ?
Ir1 Au6 Au1 57.51(3) . . ?
Au10 Au6 Au1 108.12(3) . . ?
P9 Au6 Au11 122.51(15) . . ?
Ir1 Au6 Au11 58.26(3) . . ?
Au10 Au6 Au11 61.38(3) . . ?
Au1 Au6 Au11 106.73(4) . . ?
P9 Au6 Au2 138.01(14) . . ?
Ir1 Au6 Au2 58.34(3) . . ?
Au10 Au6 Au2 108.67(3) . . ?
Au1 Au6 Au2 60.03(3) . . ?
Au11 Au6 Au2 58.69(3) . . ?
P9 Au6 Au5 109.93(15) . . ?
Ir1 Au6 Au5 58.12(3) . . ?
Au10 Au6 Au5 60.63(3) . . ?
Au1 Au6 Au5 59.30(3) . . ?
Au11 Au6 Au5 108.61(3) . . ?
Au2 Au6 Au5 107.87(3) . . ?
P4 Au7 Ir1 162.39(14) . . ?
P4 Au7 Au3 105.67(14) . . ?
Ir1 Au7 Au3 58.91(3) . . ?
P4 Au7 Au11 139.12(14) . . ?
Ir1 Au7 Au11 58.37(3) . . ?
Au3 Au7 Au11 108.15(3) . . ?
P4 Au7 Au2 123.96(14) . . ?
Ir1 Au7 Au2 58.53(3) . . ?
Au3 Au7 Au2 60.81(3) . . ?
Au11 Au7 Au2 58.82(3) . . ?
P4 Au7 Au12 127.84(14) . . ?
Ir1 Au7 Au12 57.70(3) . . ?
Au3 Au7 Au12 108.52(4) . . ?
Au11 Au7 Au12 59.78(3) . . ?
Au2 Au7 Au12 106.95(4) . . ?
P4 Au7 Au8 107.83(14) . . ?
Ir1 Au7 Au8 58.42(3) . . ?
Au3 Au7 Au8 60.75(3) . . ?
Au11 Au7 Au8 108.38(4) . . ?
Au2 Au7 Au8 108.87(3) . . ?
Au12 Au7 Au8 60.22(3) . . ?
P6 Au8 Ir1 164.10(15) . . ?
P6 Au8 Au4 105.92(14) . . ?
Ir1 Au8 Au4 59.00(3) . . ?
P6 Au8 Au3 121.50(14) . . ?
Ir1 Au8 Au3 57.92(3) . . ?
Au4 Au8 Au3 61.06(3) . . ?
P6 Au8 Au7 137.18(15) . . ?
Ir1 Au8 Au7 57.88(3) . . ?
Au4 Au8 Au7 108.07(3) . . ?
Au3 Au8 Au7 58.44(3) . . ?
P6 Au8 Au12 130.45(13) . . ?
Ir1 Au8 Au12 57.39(3) . . ?
Au4 Au8 Au12 107.90(4) . . ?
Au3 Au8 Au12 106.35(3) . . ?
Au7 Au8 Au12 59.80(3) . . ?
P6 Au8 Au9 111.99(15) . . ?
Ir1 Au8 Au9 57.68(3) . . ?
Au4 Au8 Au9 60.49(3) . . ?
Au3 Au8 Au9 107.92(3) . . ?
Au7 Au8 Au9 107.10(3) . . ?
Au12 Au8 Au9 59.12(3) . . ?
P8 Au9 Ir1 163.47(16) . . ?
P8 Au9 Au5 106.03(16) . . ?
Ir1 Au9 Au5 59.15(3) . . ?
P8 Au9 Au10 108.95(16) . . ?
Ir1 Au9 Au10 58.72(3) . . ?
Au5 Au9 Au10 61.00(3) . . ?
P8 Au9 Au12 128.31(16) . . ?
Ir1 Au9 Au12 57.99(3) . . ?
Au5 Au9 Au12 109.21(3) . . ?
Au10 Au9 Au12 60.82(3) . . ?
P8 Au9 Au4 123.03(15) . . ?
Ir1 Au9 Au4 58.37(3) . . ?
Au5 Au9 Au4 60.37(3) . . ?
Au10 Au9 Au4 108.77(3) . . ?
Au12 Au9 Au4 107.07(3) . . ?
P8 Au9 Au8 137.96(16) . . ?
Ir1 Au9 Au8 58.25(3) . . ?
Au5 Au9 Au8 107.70(3) . . ?
Au10 Au9 Au8 109.00(3) . . ?
Au12 Au9 Au8 60.31(3) . . ?
Au4 Au9 Au8 58.26(3) . . ?
P10 Au10 Ir1 164.70(14) . . ?
P10 Au10 Au6 106.41(14) . . ?
Ir1 Au10 Au6 59.02(3) . . ?
P10 Au10 Au9 136.20(15) . . ?
Ir1 Au10 Au9 58.27(3) . . ?
Au6 Au10 Au9 108.55(3) . . ?
P10 Au10 Au5 121.05(16) . . ?
Ir1 Au10 Au5 58.27(3) . . ?
Au6 Au10 Au5 61.21(3) . . ?
Au9 Au10 Au5 58.93(3) . . ?
P10 Au10 Au12 130.35(15) . . ?
Ir1 Au10 Au12 57.44(3) . . ?
Au6 Au10 Au12 108.01(4) . . ?
Au9 Au10 Au12 59.63(3) . . ?
Au5 Au10 Au12 106.63(3) . . ?
P10 Au10 Au11 112.30(16) . . ?
Ir1 Au10 Au11 57.92(3) . . ?
Au6 Au10 Au11 60.55(3) . . ?
Au9 Au10 Au11 107.51(4) . . ?
Au5 Au10 Au11 108.42(3) . . ?
Au12 Au10 Au11 59.34(3) . . ?
P2 Au11 Ir1 163.23(15) . . ?
P2 Au11 Au2 105.18(14) . . ?
Ir1 Au11 Au2 59.06(3) . . ?
P2 Au11 Au12 130.27(14) . . ?
Ir1 Au11 Au12 57.73(3) . . ?
Au2 Au11 Au12 108.66(3) . . ?
P2 Au11 Au7 110.68(16) . . ?
Ir1 Au11 Au7 58.03(3) . . ?
Au2 Au11 Au7 60.60(3) . . ?
Au12 Au11 Au7 60.14(3) . . ?
P2 Au11 Au6 121.51(14) . . ?
Ir1 Au11 Au6 58.15(3) . . ?
Au2 Au11 Au6 60.76(3) . . ?
Au12 Au11 Au6 106.64(3) . . ?
Au7 Au11 Au6 108.19(3) . . ?
P2 Au11 Au10 137.96(16) . . ?
Ir1 Au11 Au10 57.98(3) . . ?
Au2 Au11 Au10 107.69(3) . . ?
Au12 Au11 Au10 60.09(3) . . ?
Au7 Au11 Au10 107.99(3) . . ?
Au6 Au11 Au10 58.08(3) . . ?
Cl2 Au12 Ir1 179.47(16) . . ?
Cl2 Au12 Au9 121.82(14) . . ?
Ir1 Au12 Au9 58.55(3) . . ?
Cl2 Au12 Au11 121.24(13) . . ?
Ir1 Au12 Au11 58.67(3) . . ?
Au9 Au12 Au11 108.43(3) . . ?
Cl2 Au12 Au7 121.19(15) . . ?
Ir1 Au12 Au7 58.29(3) . . ?
Au9 Au12 Au7 108.40(3) . . ?
Au11 Au12 Au7 60.08(3) . . ?
Cl2 Au12 Au10 122.03(15) . . ?
Ir1 Au12 Au10 58.44(3) . . ?
Au9 Au12 Au10 59.55(3) . . ?
Au11 Au12 Au10 60.56(3) . . ?
Au7 Au12 Au10 108.31(3) . . ?
Cl2 Au12 Au8 121.25(14) . . ?
Ir1 Au12 Au8 58.51(3) . . ?
Au9 Au12 Au8 60.58(3) . . ?
Au11 Au12 Au8 108.43(3) . . ?
Au7 Au12 Au8 59.98(3) . . ?
Au10 Au12 Au8 108.21(3) . . ?
Au1 Ir1 Au12 179.75(5) . . ?
Au1 Ir1 Au9 116.39(4) . . ?
Au12 Ir1 Au9 63.46(3) . . ?
Au1 Ir1 Au7 116.23(4) . . ?
Au12 Ir1 Au7 64.00(3) . . ?
Au9 Ir1 Au7 117.23(4) . . ?
Au1 Ir1 Au3 63.66(3) . . ?
Au12 Ir1 Au3 116.57(4) . . ?
Au9 Ir1 Au3 118.15(4) . . ?
Au7 Ir1 Au3 62.19(3) . . ?
Au1 Ir1 Au6 63.96(3) . . ?
Au12 Ir1 Au6 115.91(4) . . ?
Au9 Ir1 Au6 114.80(4) . . ?
Au7 Ir1 Au6 117.44(4) . . ?
Au3 Ir1 Au6 117.07(3) . . ?
Au1 Ir1 Au4 64.15(3) . . ?
Au12 Ir1 Au4 115.84(4) . . ?
Au9 Ir1 Au4 63.63(3) . . ?
Au7 Ir1 Au4 115.22(4) . . ?
Au3 Ir1 Au4 64.00(3) . . ?
Au6 Ir1 Au4 117.49(4) . . ?
Au1 Ir1 Au11 116.41(3) . . ?
Au12 Ir1 Au11 63.61(3) . . ?
Au9 Ir1 Au11 116.57(4) . . ?
Au7 Ir1 Au11 63.60(3) . . ?
Au3 Ir1 Au11 115.17(4) . . ?
Au6 Ir1 Au11 63.59(3) . . ?
Au4 Ir1 Au11 178.80(5) . . ?
Au1 Ir1 Au10 115.64(4) . . ?
Au12 Ir1 Au10 64.13(3) . . ?
Au9 Ir1 Au10 63.02(3) . . ?
Au7 Ir1 Au10 117.79(4) . . ?
Au3 Ir1 Au10 178.78(4) . . ?
Au6 Ir1 Au10 61.78(3) . . ?
Au4 Ir1 Au10 116.75(4) . . ?
Au11 Ir1 Au10 64.10(3) . . ?
Au1 Ir1 Au5 63.36(3) . . ?
Au12 Ir1 Au5 116.40(4) . . ?
Au9 Ir1 Au5 62.19(3) . . ?
Au7 Ir1 Au5 178.37(4) . . ?
Au3 Ir1 Au5 116.56(4) . . ?
Au6 Ir1 Au5 63.95(3) . . ?
Au4 Ir1 Au5 63.15(3) . . ?
Au11 Ir1 Au5 118.03(4) . . ?
Au10 Ir1 Au5 63.49(3) . . ?
Au1 Ir1 Au8 116.04(4) . . ?
Au12 Ir1 Au8 64.10(3) . . ?
Au9 Ir1 Au8 64.07(3) . . ?
Au7 Ir1 Au8 63.69(3) . . ?
Au3 Ir1 Au8 63.64(3) . . ?
Au6 Ir1 Au8 178.81(5) . . ?
Au4 Ir1 Au8 61.80(3) . . ?
Au11 Ir1 Au8 117.12(4) . . ?
Au10 Ir1 Au8 117.52(3) . . ?
Au5 Ir1 Au8 114.92(4) . . ?
Au1 Ir1 Au2 63.97(3) . . ?
Au12 Ir1 Au2 116.19(4) . . ?
Au9 Ir1 Au2 178.23(5) . . ?
Au7 Ir1 Au2 63.52(3) . . ?
Au3 Ir1 Au2 63.61(3) . . ?
Au6 Ir1 Au2 63.65(3) . . ?
Au4 Ir1 Au2 117.70(4) . . ?
Au11 Ir1 Au2 62.13(3) . . ?
Au10 Ir1 Au2 115.22(4) . . ?
Au5 Ir1 Au2 117.10(4) . . ?
Au8 Ir1 Au2 117.48(4) . . ?
C1I P1 C1O 105.2(10) . . ?
C1I P1 C1A 105.1(7) . . ?
C1O P1 C1A 106.9(9) . . ?
C1I P1 Au2 119.7(6) . . ?
C1O P1 Au2 106.9(7) . . ?
C1A P1 Au2 112.2(5) . . ?
C2O P2 C2I 110.7(9) . . ?
C2O P2 C2A 104.7(10) . . ?
C2I P2 C2A 103.5(8) . . ?
C2O P2 Au11 106.4(7) . . ?
C2I P2 Au11 117.9(6) . . ?
C2A P2 Au11 113.0(5) . . ?
C3I P3 C3A 105.3(8) . . ?
C3I P3 C3O 106.7(10) . . ?
C3A P3 C3O 106.9(10) . . ?
C3I P3 Au3 117.1(5) . . ?
C3A P3 Au3 111.9(7) . . ?
C3O P3 Au3 108.4(8) . . ?
C4O P4 C4A 104.5(10) . . ?
C4O P4 C4I 105.6(9) . . ?
C4A P4 C4I 105.2(7) . . ?
C4O P4 Au7 106.8(8) . . ?
C4A P4 Au7 112.9(5) . . ?
C4I P4 Au7 120.6(6) . . ?
C5A P5 C5I 103.6(7) . . ?
C5A P5 C5O 106.1(8) . . ?
C5I P5 C5O 107.6(8) . . ?
C5A P5 Au4 113.0(5) . . ?
C5I P5 Au4 119.1(6) . . ?
C5O P5 Au4 106.6(7) . . ?
C6I P6 C6A 102.2(7) . . ?
C6I P6 C6O 107.2(8) . . ?
C6A P6 C6O 106.5(8) . . ?
C6I P6 Au8 120.6(5) . . ?
C6A P6 Au8 113.0(5) . . ?
C6O P6 Au8 106.5(6) . . ?
C7A P7 C7O 105.8(10) . . ?
C7A P7 C7I 102.4(9) . . ?
C7O P7 C7I 107.6(10) . . ?
C7A P7 Au5 114.5(7) . . ?
C7O P7 Au5 107.6(8) . . ?
C7I P7 Au5 118.1(6) . . ?
C8I P8 C8A 105.8(7) . . ?
C8I P8 C8O 107.3(9) . . ?
C8A P8 C8O 107.2(10) . . ?
C8I P8 Au9 117.1(6) . . ?
C8A P8 Au9 112.1(5) . . ?
C8O P8 Au9 106.8(7) . . ?
C9I P9 C9A 102.4(8) . . ?
C9I P9 C9O 106.8(9) . . ?
C9A P9 C9O 106.3(11) . . ?
C9I P9 Au6 121.0(6) . . ?
C9A P9 Au6 112.7(6) . . ?
C9O P9 Au6 106.7(8) . . ?
C10O P10 C10A 107.0(11) . . ?
C10O P10 C10I 104.2(10) . . ?
C10A P10 C10I 105.1(8) . . ?
C10O P10 Au10 108.2(8) . . ?
C10A P10 Au10 111.9(6) . . ?
C10I P10 Au10 119.7(6) . . ?
F23 P20 F25 91.8(19) . . ?
F23 P20 F24 177(2) . . ?
F25 P20 F24 87(2) . . ?
F23 P20 F21 94.1(19) . . ?
F25 P20 F21 173(2) . . ?
F24 P20 F21 87(2) . . ?
F23 P20 F26 88.4(19) . . ?
F25 P20 F26 89.8(16) . . ?
F24 P20 F26 89(2) . . ?
F21 P20 F26 87.5(17) . . ?
F23 P20 F22 93.2(18) . . ?
F25 P20 F22 87.2(15) . . ?
F24 P20 F22 89.6(17) . . ?
F21 P20 F22 95.3(16) . . ?
F26 P20 F22 176.7(18) . . ?
C1F O1G C1H 118.3(18) . . ?
C2F O2G C2H 118.4(18) . . ?
C3F O3G C3H 117(2) . . ?
C4F O4G C4H 121.8(18) . . ?
C5F O5G C5H 120.7(16) . . ?
C6F O6G C6H 118.7(15) . . ?
C7F O7G C7H 119(2) . . ?
C8F O8G C8H 117.6(19) . . ?
C9F O9G C9H 115(2) . . ?
C10H O10G C10F 119(2) . . ?
C1B C1A C1F 120.0 . . ?
C1B C1A P1 118.2(7) . . ?
C1F C1A P1 121.7(8) . . ?
C1A C1B C1C 120.0 . . ?
C1B C1C C1D 120.0 . . ?
C1E C1D C1C 120.0 . . ?
C1F C1E C1D 120.0 . . ?
O1G C1F C1E 123.3(11) . . ?
O1G C1F C1A 116.7(10) . . ?
C1E C1F C1A 120.0 . . ?
C1J C1I C1N 120.0 . . ?
C1J C1I P1 123.8(10) . . ?
C1N C1I P1 116.2(10) . . ?
C1K C1J C1I 120.0 . . ?
C1J C1K C1L 120.0 . . ?
C1M C1L C1K 120.0 . . ?
C1L C1M C1N 120.0 . . ?
C1M C1N C1I 120.0 . . ?
C2O C1O P1 113.9(14) . . ?
C2B C2A C2F 120.0 . . ?
C2B C2A P2 117.4(9) . . ?
C2F C2A P2 122.6(9) . . ?
C2A C2B C2C 120.0 . . ?
C2D C2C C2B 120.0 . . ?
C2C C2D C2E 120.0 . . ?
C2D C2E C2F 120.0 . . ?
C2E C2F C2A 120.0 . . ?
C2E C2F O2G 122.0(12) . . ?
C2A C2F O2G 117.8(12) . . ?
C2J C2I C2N 120.0 . . ?
C2J C2I P2 122.5(9) . . ?
C2N C2I P2 117.4(9) . . ?
C2K C2J C2I 120.0 . . ?
C2J C2K C2L 120.0 . . ?
C2K C2L C2M 120.0 . . ?
C2N C2M C2L 120.0 . . ?
C2M C2N C2I 120.0 . . ?
C1O C2O P2 114.9(16) . . ?
C3B C3A C3F 120.0 . . ?
C3B C3A P3 119.8(10) . . ?
C3F C3A P3 120.0(10) . . ?
C3C C3B C3A 120.0 . . ?
C3D C3C C3B 120.0 . . ?
C3C C3D C3E 120.0 . . ?
C3F C3E C3D 120.0 . . ?
O3G C3F C3E 120.5(14) . . ?
O3G C3F C3A 119.4(14) . . ?
C3E C3F C3A 120.0 . . ?
C3J C3I C3N 120.0 . . ?
C3J C3I P3 116.7(8) . . ?
C3N C3I P3 123.2(8) . . ?
C3K C3J C3I 120.0 . . ?
C3J C3K C3L 120.0 . . ?
C3K C3L C3M 120.0 . . ?
C3N C3M C3L 120.0 . . ?
C3M C3N C3I 120.0 . . ?
C4O C3O P3 113.2(15) . . ?
C4B C4A C4F 120.0 . . ?
C4B C4A P4 115.9(8) . . ?
C4F C4A P4 124.0(8) . . ?
C4A C4B C4C 120.0 . . ?
C4D C4C C4B 120.0 . . ?
C4E C4D C4C 120.0 . . ?
C4D C4E C4F 120.0 . . ?
O4G C4F C4E 122.8(12) . . ?
O4G C4F C4A 117.2(12) . . ?
C4E C4F C4A 120.0 . . ?
C4J C4I C4N 120.0 . . ?
C4J C4I P4 123.1(9) . . ?
C4N C4I P4 116.9(9) . . ?
C4K C4J C4I 120.0 . . ?
C4L C4K C4J 120.0 . . ?
C4K C4L C4M 120.0 . . ?
C4N C4M C4L 120.0 . . ?
C4M C4N C4I 120.0 . . ?
C3O C4O P4 114.0(16) . . ?
C5B C5A C5F 120.0 . . ?
C5B C5A P5 116.6(7) . . ?
C5F C5A P5 123.3(7) . . ?
C5A C5B C5C 120.0 . . ?
C5B C5C C5D 120.0 . . ?
C5E C5D C5C 120.0 . . ?
C5F C5E C5D 120.0 . . ?
O5G C5F C5E 122.1(10) . . ?
O5G C5F C5A 117.9(11) . . ?
C5E C5F C5A 120.0 . . ?
C5J C5I C5N 120.0 . . ?
C5J C5I P5 116.4(8) . . ?
C5N C5I P5 123.6(8) . . ?
C5I C5J C5K 120.0 . . ?
C5L C5K C5J 120.0 . . ?
C5K C5L C5M 120.0 . . ?
C5N C5M C5L 120.0 . . ?
C5M C5N C5I 120.0 . . ?
C6O C5O P5 114.0(15) . . ?
C6B C6A C6F 120.0 . . ?
C6B C6A P6 117.5(7) . . ?
C6F C6A P6 122.5(7) . . ?
C6A C6B C6C 120.0 . . ?
C6D C6C C6B 120.0 . . ?
C6C C6D C6E 120.0 . . ?
C6D C6E C6F 120.0 . . ?
O6G C6F C6E 123.6(10) . . ?
O6G C6F C6A 116.4(10) . . ?
C6E C6F C6A 120.0 . . ?
C6J C6I C6N 120.0 . . ?
C6J C6I P6 122.8(8) . . ?
C6N C6I P6 117.2(8) . . ?
C6K C6J C6I 120.0 . . ?
C6J C6K C6L 120.0 . . ?
C6K C6L C6M 120.0 . . ?
C6N C6M C6L 120.0 . . ?
C6M C6N C6I 120.0 . . ?
C5O C6O P6 114.0(15) . . ?
C7B C7A C7F 120.0 . . ?
C7B C7A P7 116.9(10) . . ?
C7F C7A P7 123.0(10) . . ?
C7C C7B C7A 120.0 . . ?
C7D C7C C7B 120.0 . . ?
C7C C7D C7E 120.0 . . ?
C7F C7E C7D 120.0 . . ?
O7G C7F C7E 123.0(15) . . ?
O7G C7F C7A 117.0(15) . . ?
C7E C7F C7A 120.0 . . ?
C7J C7I C7N 120.0 . . ?
C7J C7I P7 123.8(9) . . ?
C7N C7I P7 116.1(9) . . ?
C7I C7J C7K 120.0 . . ?
C7J C7K C7L 120.0 . . ?
C7M C7L C7K 120.0 . . ?
C7L C7M C7N 120.0 . . ?
C7M C7N C7I 120.0 . . ?
C8O C7O P7 116.4(17) . . ?
C8B C8A C8F 120.0 . . ?
C8B C8A P8 116.7(9) . . ?
C8F C8A P8 123.2(9) . . ?
C8C C8B C8A 120.0 . . ?
C8B C8C C8D 120.0 . . ?
C8E C8D C8C 120.0 . . ?
C8F C8E C8D 120.0 . . ?
O8G C8F C8E 123.4(12) . . ?
O8G C8F C8A 116.6(12) . . ?
C8E C8F C8A 120.0 . . ?
C8J C8I C8N 120.0 . . ?
C8J C8I P8 116.0(8) . . ?
C8N C8I P8 123.9(8) . . ?
C8I C8J C8K 120.0 . . ?
C8J C8K C8L 120.0 . . ?
C8M C8L C8K 120.0 . . ?
C8L C8M C8N 120.0 . . ?
C8M C8N C8I 120.0 . . ?
C7O C8O P8 115.5(18) . . ?
C9B C9A C9F 120.0 . . ?
C9B C9A P9 116.2(9) . . ?
C9F C9A P9 123.0(9) . . ?
C9C C9B C9A 120.0 . . ?
C9B C9C C9D 120.0 . . ?
C9C C9D C9E 120.0 . . ?
C9D C9E C9F 120.0 . . ?
O9G C9F C9E 124.0(12) . . ?
O9G C9F C9A 115.9(12) . . ?
C9E C9F C9A 120.0 . . ?
C9J C9I C9N 120.0 . . ?
C9J C9I P9 124.0(9) . . ?
C9N C9I P9 115.9(9) . . ?
C9K C9J C9I 120.0 . . ?
C9J C9K C9L 120.0 . . ?
C9M C9L C9K 120.0 . . ?
C9L C9M C9N 120.0 . . ?
C9M C9N C9I 120.0 . . ?
C10O C9O P9 111.9(17) . . ?
C10B C10A C10F 120.0 . . ?
C10B C10A P10 118.9(9) . . ?
C10F C10A P10 120.9(9) . . ?
C10A C10B C10C 120.0 . . ?
C10B C10C C10D 120.0 . . ?
C10E C10D C10C 120.0 . . ?
C10F C10E C10D 120.0 . . ?
C10E C10F C10A 120.0 . . ?
C10E C10F O10G 123.7(13) . . ?
C10A C10F O10G 116.3(13) . . ?
C10J C10I C10N 120.0 . . ?
C10J C10I P10 124.3(10) . . ?
C10N C10I P10 115.7(10) . . ?
C10I C10J C10K 120.0 . . ?
C10L C10K C10J 120.0 . . ?
C10K C10L C10M 120.0 . . ?
C10N C10M C10L 120.0 . . ?
C10M C10N C10I 120.0 . . ?
C9O C10O P10 111.5(16) . . ?

_refine_diff_density_max         1.718
_refine_diff_density_min         -2.137
_refine_diff_density_rms         0.278






####################################################################### 
# 
# 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_20210304IrAu12S-DIPAMP_8e_corr_sq
_database_code_depnum_ccdc_archive 'CCDC 2225809'
loop_
_audit_author_name
_audit_author_address
'Shinjiro Takano'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2022-12-12 deposited with the CCDC.	2023-02-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C146 H152 Au12 Cl2 F6 Ir O11 P11'
_chemical_formula_weight         5164.04

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -4.7710 6.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   18.7320(3)
_cell_length_b                   28.9403(3)
_cell_length_c                   30.8548(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     16726.7(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    39338
_cell_measurement_theta_min      3.0370
_cell_measurement_theta_max      69.8740

_exptl_crystal_description       Needle
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.051
_exptl_crystal_F_000             9576
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.139
_exptl_crystal_size_mid          0.033
_exptl_crystal_size_min          0.022
_exptl_absorpt_coefficient_mu    22.454
_exptl_absorpt_correction_T_min  0.333
_exptl_absorpt_correction_T_max  0.711
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.72a (Rigaku Oxford Diffraction, 2020)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.693
_oxdiff_exptl_absorpt_empirical_full_max 1.659
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Rotating anode'
_diffrn_measurement_device_type  'Rigaku AFC11 with Pilatus200K'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            100017
_diffrn_reflns_av_unetI/netI     0.0661
_diffrn_reflns_av_R_equivalents  0.0632
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.760
_diffrn_reflns_theta_max         68.251
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             30593
_reflns_number_gt                24708
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.862
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.999

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0876P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 9617 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.005(8)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         30593
_refine_ls_number_parameters     1583
_refine_ls_number_restraints     1573
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0517
_refine_ls_wR_factor_ref         0.1434
_refine_ls_wR_factor_gt          0.1351
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      0.983
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.82168(5) 0.03583(3) 0.58854(3) 0.0526(2) Uani 1 1 d . . . . .
Au2 Au 0.94251(5) 0.02187(3) 0.64271(3) 0.0529(2) Uani 1 1 d . . . . .
Au3 Au 0.86894(5) -0.05745(3) 0.60828(3) 0.0514(2) Uani 1 1 d . . . . .
Au4 Au 0.71944(5) -0.03624(3) 0.60557(3) 0.0527(2) Uani 1 1 d . . . . .
Au5 Au 0.69895(5) 0.05570(3) 0.64066(3) 0.0566(2) Uani 1 1 d . . . . .
Au6 Au 0.83660(6) 0.09138(3) 0.66530(3) 0.0562(2) Uani 1 1 d . . . . .
Au7 Au 0.91759(6) -0.05455(3) 0.69679(3) 0.0573(2) Uani 1 1 d . . . . .
Au8 Au 0.77950(6) -0.09319(3) 0.67331(3) 0.0564(2) Uani 1 1 d . . . . .
Au9 Au 0.67021(6) -0.02565(3) 0.69101(3) 0.0594(2) Uani 1 1 d . . . . .
Au10 Au 0.73911(6) 0.05346(3) 0.72876(3) 0.0627(2) Uani 1 1 d . . . . .
Au11 Au 0.89233(6) 0.03619(3) 0.73096(3) 0.0603(2) Uani 1 1 d . . . . .
Au12 Au 0.79266(6) -0.03672(3) 0.74842(3) 0.0639(2) Uani 1 1 d . . . . .
Ir1 Ir 0.80677(6) -0.00072(3) 0.66835(3) 0.0527(2) Uani 1 1 d . . . . .
Cl1 Cl 0.8379(4) 0.06875(19) 0.51869(17) 0.0693(15) Uani 1 1 d . . . . .
Cl2 Cl 0.7827(4) -0.0690(3) 0.81956(19) 0.090(2) Uani 1 1 d . . . . .
P1 P 1.0603(3) 0.01839(18) 0.62344(19) 0.0574(13) Uani 1 1 d . . . . .
P2 P 1.0290(4) -0.0772(2) 0.71850(18) 0.0619(14) Uani 1 1 d . . . . .
P3 P 0.8917(3) -0.11852(17) 0.56394(17) 0.0551(13) Uani 1 1 d . . . . .
P4 P 0.7826(4) -0.17111(18) 0.6683(2) 0.0638(15) Uani 1 1 d . . . . .
P5 P 0.6224(3) -0.05795(19) 0.56565(18) 0.0558(12) Uani 1 1 d . . . . .
P6 P 0.5618(4) -0.0625(2) 0.6929(2) 0.0667(15) Uani 1 1 d . . . . .
P7 P 0.6170(4) 0.1144(2) 0.63512(19) 0.0638(14) Uani 1 1 d . . . . .
P8 P 0.6522(4) 0.0943(2) 0.7650(2) 0.0752(18) Uani 1 1 d . . . . .
P9 P 0.8765(4) 0.16418(19) 0.6783(2) 0.0729(18) Uani 1 1 d D . . . .
P10 P 0.9527(5) 0.0832(2) 0.7771(2) 0.084(2) Uani 1 1 d D . . . .
P20 P 0.3412(4) -0.1493(3) 0.5817(3) 0.090(2) Uani 1 1 d . . . . .
F21 F 0.2976(10) -0.1967(6) 0.5781(8) 0.124(7) Uani 1 1 d . . . . .
F22 F 0.2928(11) -0.1336(8) 0.6208(7) 0.126(7) Uani 1 1 d . . . . .
F23 F 0.3988(11) -0.1714(9) 0.6115(8) 0.149(9) Uani 1 1 d . . . . .
F24 F 0.2862(9) -0.1269(5) 0.5498(7) 0.104(5) Uani 1 1 d . . . . .
F25 F 0.3895(10) -0.1661(6) 0.5409(7) 0.116(6) Uani 1 1 d . . . . .
F26 F 0.3862(9) -0.1024(7) 0.5835(6) 0.112(6) Uani 1 1 d . . . . .
C1A C 1.1167(9) 0.0655(5) 0.6389(6) 0.076(5) Uani 1 1 d G U . . .
C1B C 1.0898(8) 0.1097(6) 0.6324(7) 0.092(7) Uani 1 1 d G U . . .
H1B H 1.043728 0.113765 0.620079 0.111 Uiso 1 1 calc R U . . .
C1C C 1.1304(12) 0.1480(5) 0.6439(8) 0.114(8) Uani 1 1 d G U . . .
H1C H 1.111999 0.178249 0.639459 0.137 Uiso 1 1 calc R U . . .
C1D C 1.1978(11) 0.1421(6) 0.6619(8) 0.117(8) Uani 1 1 d G U . . .
H1D H 1.225480 0.168260 0.669745 0.141 Uiso 1 1 calc R U . . .
C1E C 1.2246(8) 0.0978(8) 0.6684(7) 0.106(7) Uani 1 1 d G U . . .
H1E H 1.270692 0.093789 0.680652 0.127 Uiso 1 1 calc R U . . .
C1F C 1.1841(10) 0.0595(6) 0.6568(7) 0.096(7) Uani 1 1 d G U . . .
H1F H 1.202423 0.029305 0.661272 0.115 Uiso 1 1 calc R U . . .
C1G C 1.0747(8) 0.0102(5) 0.5655(3) 0.062(5) Uani 1 1 d G U . . .
C1H C 1.0149(7) 0.0140(6) 0.5390(4) 0.074(6) Uani 1 1 d G U . . .
H1H H 0.970196 0.022567 0.551095 0.089 Uiso 1 1 calc R U . . .
C1I C 1.0206(9) 0.0052(7) 0.4948(4) 0.086(8) Uani 1 1 d G U . . .
H1I H 0.979745 0.007835 0.476751 0.104 Uiso 1 1 calc R U . . .
C1J C 1.0860(10) -0.0073(8) 0.4772(4) 0.108(11) Uani 1 1 d G . . . .
H1J H 1.089885 -0.013316 0.446971 0.130 Uiso 1 1 calc R U . . .
C1K C 1.1458(8) -0.0111(7) 0.5036(5) 0.097(10) Uani 1 1 d G . . . .
H1K H 1.190476 -0.019735 0.491534 0.116 Uiso 1 1 calc R U . . .
C1L C 1.1401(7) -0.0024(6) 0.5478(5) 0.070(6) Uani 1 1 d G . . . .
C1M C 1.2624(18) -0.0137(13) 0.5561(14) 0.127(14) Uani 1 1 d . . . . .
H1M1 H 1.298978 -0.013613 0.578761 0.191 Uiso 1 1 calc R U . . .
H1M2 H 1.260630 -0.044221 0.542375 0.191 Uiso 1 1 calc R U . . .
H1M3 H 1.274020 0.009700 0.534237 0.191 Uiso 1 1 calc R U . . .
O1 O 1.1956(9) -0.0036(6) 0.5745(6) 0.074(5) Uani 1 1 d . . . . .
C1N C 1.0978(14) -0.0338(7) 0.6484(8) 0.069(6) Uani 1 1 d . . . . .
H1N1 H 1.073059 -0.061307 0.636731 0.083 Uiso 1 1 calc R U . . .
H1N2 H 1.148993 -0.036269 0.640670 0.083 Uiso 1 1 calc R U . . .
C2A C 1.0618(9) -0.1339(4) 0.7021(5) 0.074(7) Uani 1 1 d G . . . .
C2B C 1.0147(8) -0.1708(5) 0.7058(5) 0.078(8) Uani 1 1 d G . . . .
H2B H 0.967159 -0.165685 0.715416 0.093 Uiso 1 1 calc R U . . .
C2C C 1.0371(9) -0.2152(4) 0.6953(6) 0.087(8) Uani 1 1 d G . . . .
H2C H 1.004856 -0.240461 0.697848 0.104 Uiso 1 1 calc R U . . .
C2D C 1.1066(11) -0.2228(4) 0.6812(6) 0.095(10) Uani 1 1 d G . . . .
H2D H 1.121867 -0.253120 0.674097 0.114 Uiso 1 1 calc R U . . .
C2E C 1.1537(8) -0.1859(6) 0.6776(6) 0.096(10) Uani 1 1 d G . . . .
H2E H 1.201184 -0.191002 0.667913 0.115 Uiso 1 1 calc R U . . .
C2F C 1.1313(8) -0.1414(5) 0.6880(6) 0.071(6) Uani 1 1 d G . . . .
H2F H 1.163489 -0.116226 0.685482 0.085 Uiso 1 1 calc R U . . .
C2G C 1.0390(9) -0.0772(5) 0.7774(4) 0.074(6) Uani 1 1 d G U . . .
C2H C 0.9763(8) -0.0727(6) 0.8012(5) 0.071(6) Uani 1 1 d G U . . .
H2H H 0.932116 -0.068220 0.786679 0.085 Uiso 1 1 calc R U . . .
C2I C 0.9783(9) -0.0749(6) 0.8462(5) 0.087(7) Uani 1 1 d G U . . .
H2I H 0.935439 -0.071817 0.862416 0.105 Uiso 1 1 calc R U . . .
C2J C 1.0429(11) -0.0814(6) 0.8674(4) 0.094(7) Uani 1 1 d G U . . .
H2J H 1.044274 -0.082891 0.898164 0.113 Uiso 1 1 calc R U . . .
C2K C 1.1056(9) -0.0859(6) 0.8437(5) 0.090(7) Uani 1 1 d G U . . .
H2K H 1.149786 -0.090367 0.858175 0.108 Uiso 1 1 calc R U . . .
C2L C 1.1036(8) -0.0837(6) 0.7987(5) 0.085(6) Uani 1 1 d G U . . .
C2M C 1.2266(19) -0.0992(14) 0.7926(11) 0.120(12) Uani 1 1 d . U . . .
H2M1 H 1.264028 -0.102170 0.770573 0.179 Uiso 1 1 calc R U . . .
H2M2 H 1.238965 -0.074163 0.812628 0.179 Uiso 1 1 calc R U . . .
H2M3 H 1.222240 -0.128224 0.808643 0.179 Uiso 1 1 calc R U . . .
O2 O 1.1619(10) -0.0891(6) 0.7725(5) 0.079(4) Uani 1 1 d . U . . .
C2N C 1.0902(14) -0.0332(8) 0.6996(7) 0.068(6) Uani 1 1 d . . . . .
H2N1 H 1.072760 -0.002433 0.708938 0.081 Uiso 1 1 calc R U . . .
H2N2 H 1.137594 -0.038243 0.712914 0.081 Uiso 1 1 calc R U . . .
C3A C 0.9808(6) -0.1436(5) 0.5648(5) 0.068(6) Uani 1 1 d G . . . .
C3B C 0.9931(7) -0.1909(4) 0.5665(5) 0.072(6) Uani 1 1 d G . . . .
H3B H 0.953956 -0.211797 0.566576 0.086 Uiso 1 1 calc R U . . .
C3C C 1.0626(9) -0.2076(4) 0.5682(6) 0.072(7) Uani 1 1 d G . . . .
H3C H 1.070951 -0.239981 0.569372 0.087 Uiso 1 1 calc R U . . .
C3D C 1.1198(7) -0.1770(6) 0.5681(6) 0.092(9) Uani 1 1 d G . . . .
H3D H 1.167259 -0.188485 0.569284 0.111 Uiso 1 1 calc R U . . .
C3E C 1.1075(7) -0.1297(6) 0.5664(7) 0.094(9) Uani 1 1 d G . . . .
H3E H 1.146573 -0.108805 0.566402 0.113 Uiso 1 1 calc R U . . .
C3F C 1.0380(9) -0.1130(4) 0.5648(6) 0.083(8) Uani 1 1 d G . . . .
H3F H 1.029579 -0.080620 0.563607 0.099 Uiso 1 1 calc R U . . .
C3G C 0.8717(9) -0.1067(4) 0.5064(3) 0.059(6) Uani 1 1 d G . . . .
C3H C 0.8523(9) -0.0615(4) 0.4966(4) 0.064(6) Uani 1 1 d G . . . .
H3H H 0.850659 -0.038839 0.518827 0.077 Uiso 1 1 calc R U . . .
C3I C 0.8355(9) -0.0495(4) 0.4542(4) 0.071(6) Uani 1 1 d G . . . .
H3I H 0.822215 -0.018581 0.447467 0.085 Uiso 1 1 calc R U . . .
C3J C 0.8379(10) -0.0826(5) 0.4216(3) 0.087(9) Uani 1 1 d G . . . .
H3J H 0.826371 -0.074364 0.392626 0.104 Uiso 1 1 calc R U . . .
C3K C 0.8573(10) -0.1278(5) 0.4314(4) 0.076(8) Uani 1 1 d G . . . .
H3K H 0.858971 -0.150405 0.409144 0.091 Uiso 1 1 calc R U . . .
C3L C 0.8742(9) -0.1398(4) 0.4738(4) 0.059(5) Uani 1 1 d G . . . .
C3M C 0.8892(18) -0.2198(10) 0.4571(10) 0.100(10) Uani 1 1 d . . . . .
H3M1 H 0.902935 -0.248843 0.471179 0.150 Uiso 1 1 calc R U . . .
H3M2 H 0.840613 -0.222624 0.445609 0.150 Uiso 1 1 calc R U . . .
H3M3 H 0.922319 -0.213261 0.433261 0.150 Uiso 1 1 calc R U . . .
O3 O 0.8917(9) -0.1838(6) 0.4873(5) 0.073(4) Uani 1 1 d . . . . .
C3N C 0.8297(16) -0.1649(7) 0.5812(8) 0.072(7) Uani 1 1 d . . . . .
H3N1 H 0.780719 -0.152150 0.582156 0.086 Uiso 1 1 calc R U . . .
H3N2 H 0.830350 -0.189671 0.559035 0.086 Uiso 1 1 calc R U . . .
C4A C 0.7000(11) -0.2024(8) 0.6568(9) 0.124(9) Uani 1 1 d G U . . .
C4B C 0.6488(14) -0.2025(9) 0.6894(8) 0.144(10) Uani 1 1 d G U . . .
H4B H 0.658876 -0.188275 0.716526 0.173 Uiso 1 1 calc R U . . .
C4C C 0.5830(13) -0.2233(10) 0.6824(9) 0.160(11) Uani 1 1 d G U . . .
H4C H 0.547994 -0.223327 0.704729 0.191 Uiso 1 1 calc R U . . .
C4D C 0.5683(12) -0.2441(9) 0.6428(10) 0.148(10) Uani 1 1 d G U . . .
H4D H 0.523274 -0.258303 0.638020 0.178 Uiso 1 1 calc R U . . .
C4E C 0.6195(15) -0.2440(9) 0.6102(8) 0.156(11) Uani 1 1 d G U . . .
H4E H 0.609435 -0.258228 0.583108 0.188 Uiso 1 1 calc R U . . .
C4F C 0.6853(14) -0.2232(9) 0.6172(8) 0.150(10) Uani 1 1 d G U . . .
H4F H 0.720317 -0.223176 0.594904 0.180 Uiso 1 1 calc R U . . .
C4G C 0.8211(11) -0.1994(5) 0.7161(5) 0.079(6) Uani 1 1 d G U . . .
C4H C 0.8295(11) -0.1715(4) 0.7524(5) 0.084(6) Uani 1 1 d G U . . .
H4H H 0.817917 -0.139550 0.750836 0.101 Uiso 1 1 calc R U . . .
C4I C 0.8549(11) -0.1902(6) 0.7909(5) 0.098(7) Uani 1 1 d G U . . .
H4I H 0.860581 -0.171067 0.815696 0.118 Uiso 1 1 calc R U . . .
C4J C 0.8718(11) -0.2369(6) 0.7932(5) 0.108(7) Uani 1 1 d G U . . .
H4J H 0.889142 -0.249677 0.819504 0.130 Uiso 1 1 calc R U . . .
C4K C 0.8634(12) -0.2649(5) 0.7569(6) 0.111(7) Uani 1 1 d G U . . .
H4K H 0.875038 -0.296769 0.758453 0.133 Uiso 1 1 calc R U . . .
C4L C 0.8381(12) -0.2461(5) 0.7184(5) 0.094(6) Uani 1 1 d DG U . . .
C4M C 0.804(4) -0.3229(13) 0.6901(18) 0.102(13) Uani 0.55 1 d D U P A 1
H4M1 H 0.783238 -0.335721 0.663426 0.153 Uiso 0.55 1 calc R U P A 1
H4M2 H 0.850613 -0.336668 0.695306 0.153 Uiso 0.55 1 calc R U P A 1
H4M3 H 0.771968 -0.329909 0.714550 0.153 Uiso 0.55 1 calc R U P A 1
O4 O 0.811(3) -0.2737(12) 0.6858(11) 0.100(9) Uani 0.55 1 d D U P A 1
C4M2 C 0.865(3) -0.3155(15) 0.6854(11) 0.102(14) Uani 0.45 1 d D U P A 2
H4M4 H 0.865747 -0.331255 0.657247 0.152 Uiso 0.45 1 calc R U P A 2
H4M5 H 0.912861 -0.315090 0.697770 0.152 Uiso 0.45 1 calc R U P A 2
H4M6 H 0.832360 -0.331934 0.704985 0.152 Uiso 0.45 1 calc R U P A 2
O4B O 0.840(3) -0.2693(14) 0.6796(11) 0.096(9) Uani 0.45 1 d D U P A 2
C4N C 0.8468(13) -0.1860(8) 0.6248(7) 0.071(7) Uani 1 1 d . . . . .
H4N1 H 0.895031 -0.175634 0.633718 0.085 Uiso 1 1 calc R U . . .
H4N2 H 0.848325 -0.219994 0.621629 0.085 Uiso 1 1 calc R U . . .
C5A C 0.6218(8) -0.1150(4) 0.5389(5) 0.058(6) Uani 1 1 d G . . . .
C5B C 0.6851(7) -0.1277(5) 0.5187(5) 0.068(7) Uani 1 1 d G . . . .
H5B H 0.724293 -0.106900 0.518108 0.082 Uiso 1 1 calc R U . . .
C5C C 0.6910(8) -0.1709(6) 0.4992(5) 0.074(7) Uani 1 1 d G . . . .
H5C H 0.734268 -0.179564 0.485401 0.089 Uiso 1 1 calc R U . . .
C5D C 0.6336(10) -0.2013(4) 0.5000(6) 0.097(10) Uani 1 1 d G . . . .
H5D H 0.637652 -0.230798 0.486752 0.116 Uiso 1 1 calc R U . . .
C5E C 0.5703(9) -0.1886(5) 0.5203(6) 0.103(11) Uani 1 1 d G . . . .
H5E H 0.531062 -0.209369 0.520811 0.124 Uiso 1 1 calc R U . . .
C5F C 0.5644(7) -0.1454(5) 0.5397(5) 0.071(6) Uani 1 1 d G . . . .
H5F H 0.521086 -0.136705 0.553518 0.085 Uiso 1 1 calc R U . . .
C5G C 0.6040(10) -0.0168(5) 0.5215(4) 0.070(7) Uani 1 1 d G . . . .
C5H C 0.6551(8) 0.0171(6) 0.5140(5) 0.097(10) Uani 1 1 d G . . . .
H5H H 0.697477 0.017842 0.530866 0.116 Uiso 1 1 calc R U . . .
C5I C 0.6441(10) 0.0499(6) 0.4818(6) 0.094(9) Uani 1 1 d G . . . .
H5I H 0.679080 0.073072 0.476614 0.113 Uiso 1 1 calc R U . . .
C5J C 0.5821(11) 0.0488(6) 0.4571(6) 0.112(12) Uani 1 1 d G . . . .
H5J H 0.574640 0.071264 0.435040 0.135 Uiso 1 1 calc R U . . .
C5K C 0.5310(9) 0.0150(7) 0.4646(6) 0.120(13) Uani 1 1 d G . . . .
H5K H 0.488596 0.014226 0.447717 0.144 Uiso 1 1 calc R U . . .
C5L C 0.5419(9) -0.0178(6) 0.4968(5) 0.079(8) Uani 1 1 d G . . . .
C5M C 0.4315(15) -0.0549(10) 0.4817(8) 0.083(8) Uani 1 1 d . . . . .
H5M1 H 0.400143 -0.079376 0.492738 0.125 Uiso 1 1 calc R U . . .
H5M2 H 0.405697 -0.025452 0.481759 0.125 Uiso 1 1 calc R U . . .
H5M3 H 0.446311 -0.062422 0.452098 0.125 Uiso 1 1 calc R U . . .
O5 O 0.4922(11) -0.0514(7) 0.5085(6) 0.088(5) Uani 1 1 d . . . . .
C5N C 0.5456(13) -0.0572(8) 0.6026(9) 0.072(7) Uani 1 1 d . . . . .
H5N1 H 0.540165 -0.025515 0.614294 0.086 Uiso 1 1 calc R U . . .
H5N2 H 0.501997 -0.064401 0.585764 0.086 Uiso 1 1 calc R U . . .
C6A C 0.4785(9) -0.0319(6) 0.7015(6) 0.070(6) Uani 1 1 d G . . . .
C6B C 0.4187(10) -0.0378(7) 0.6755(5) 0.095(10) Uani 1 1 d G . . . .
H6B H 0.421377 -0.056693 0.650347 0.114 Uiso 1 1 calc R U . . .
C6C C 0.3549(9) -0.0160(10) 0.6861(7) 0.130(15) Uani 1 1 d G . . . .
H6C H 0.314024 -0.020048 0.668303 0.155 Uiso 1 1 calc R U . . .
C6D C 0.3509(11) 0.0116(9) 0.7229(8) 0.137(17) Uani 1 1 d G . . . .
H6D H 0.307365 0.026527 0.730164 0.165 Uiso 1 1 calc R U . . .
C6E C 0.4108(14) 0.0175(8) 0.7490(6) 0.150(19) Uani 1 1 d G . . . .
H6E H 0.408061 0.036457 0.774069 0.180 Uiso 1 1 calc R U . . .
C6F C 0.4745(11) -0.0042(7) 0.7383(6) 0.102(10) Uani 1 1 d G . . . .
H6F H 0.515415 -0.000187 0.756113 0.123 Uiso 1 1 calc R U . . .
C6G C 0.5590(10) -0.1069(6) 0.7349(5) 0.077(6) Uani 1 1 d G . . . .
C6H C 0.6147(10) -0.1073(6) 0.7646(6) 0.095(8) Uani 1 1 d G . . . .
H6H H 0.653084 -0.086129 0.761736 0.115 Uiso 1 1 calc R U . . .
C6I C 0.6141(11) -0.1388(8) 0.7987(6) 0.114(11) Uani 1 1 d G . . . .
H6I H 0.652180 -0.139135 0.819001 0.137 Uiso 1 1 calc R U . . .
C6J C 0.5579(13) -0.1698(7) 0.8029(6) 0.122(12) Uani 1 1 d G . . . .
H6J H 0.557525 -0.191346 0.826152 0.146 Uiso 1 1 calc R U . . .
C6K C 0.5022(11) -0.1694(6) 0.7731(7) 0.107(10) Uani 1 1 d G . . . .
H6K H 0.463773 -0.190551 0.776038 0.128 Uiso 1 1 calc R U . . .
C6L C 0.5027(9) -0.1379(7) 0.7391(6) 0.088(7) Uani 1 1 d G . . . .
C6M C 0.386(2) -0.1571(14) 0.7179(10) 0.123(13) Uani 1 1 d . . . . .
H6M1 H 0.354721 -0.151586 0.693256 0.185 Uiso 1 1 calc R U . . .
H6M2 H 0.394182 -0.190446 0.721321 0.185 Uiso 1 1 calc R U . . .
H6M3 H 0.364696 -0.144730 0.744365 0.185 Uiso 1 1 calc R U . . .
O6 O 0.4520(11) -0.1353(6) 0.7106(6) 0.088(5) Uani 1 1 d . . . . .
C6N C 0.5512(15) -0.0919(8) 0.6415(8) 0.072(6) Uani 1 1 d . . . . .
H6N1 H 0.592453 -0.112674 0.636730 0.087 Uiso 1 1 calc R U . . .
H6N2 H 0.507546 -0.111145 0.642421 0.087 Uiso 1 1 calc R U . . .
C7A C 0.5274(9) 0.1015(7) 0.6219(7) 0.094(7) Uani 1 1 d G U . . .
C7B C 0.5154(10) 0.0669(7) 0.5915(7) 0.100(7) Uani 1 1 d G U . . .
H7B H 0.554605 0.050692 0.579215 0.120 Uiso 1 1 calc R U . . .
C7C C 0.4461(12) 0.0561(7) 0.5790(7) 0.109(7) Uani 1 1 d G U . . .
H7C H 0.437901 0.032423 0.558285 0.131 Uiso 1 1 calc R U . . .
C7D C 0.3888(9) 0.0798(8) 0.5970(8) 0.116(8) Uani 1 1 d G U . . .
H7D H 0.341401 0.072406 0.588498 0.139 Uiso 1 1 calc R U . . .
C7E C 0.4008(10) 0.1144(8) 0.6274(8) 0.123(8) Uani 1 1 d G U . . .
H7E H 0.361604 0.130658 0.639643 0.148 Uiso 1 1 calc R U . . .
C7F C 0.4701(12) 0.1253(7) 0.6398(7) 0.107(7) Uani 1 1 d G U . . .
H7F H 0.478307 0.148928 0.660574 0.128 Uiso 1 1 calc R U . . .
C7G C 0.6444(10) 0.1593(5) 0.5959(5) 0.074(6) Uani 1 1 d G . . . .
C7H C 0.7037(9) 0.1497(5) 0.5703(6) 0.076(6) Uani 1 1 d G . . . .
H7H H 0.730206 0.122160 0.574937 0.092 Uiso 1 1 calc R U . . .
C7I C 0.7242(10) 0.1804(6) 0.5380(6) 0.103(10) Uani 1 1 d G . . . .
H7I H 0.764681 0.173866 0.520518 0.123 Uiso 1 1 calc R U . . .
C7J C 0.6854(13) 0.2207(6) 0.5312(6) 0.124(12) Uani 1 1 d G . . . .
H7J H 0.699384 0.241722 0.509147 0.149 Uiso 1 1 calc R U . . .
C7K C 0.6261(12) 0.2303(5) 0.5568(6) 0.108(10) Uani 1 1 d G . . . .
H7K H 0.599612 0.257872 0.552195 0.130 Uiso 1 1 calc R U . . .
C7L C 0.6056(10) 0.1996(6) 0.5891(6) 0.092(8) Uani 1 1 d G . . . .
C7M C 0.498(3) 0.2418(16) 0.6068(14) 0.17(2) Uani 1 1 d . . . . .
H7M1 H 0.461613 0.242612 0.629802 0.250 Uiso 1 1 calc R U . . .
H7M2 H 0.521069 0.272012 0.604765 0.250 Uiso 1 1 calc R U . . .
H7M3 H 0.474676 0.234484 0.579115 0.250 Uiso 1 1 calc R U . . .
O7 O 0.5511(13) 0.2063(7) 0.6169(6) 0.100(6) Uani 1 1 d . . . . .
C7N C 0.6172(18) 0.1420(11) 0.6884(9) 0.095(9) Uani 1 1 d . . . . .
H7N1 H 0.666727 0.151180 0.695630 0.114 Uiso 1 1 calc R U . . .
H7N2 H 0.588024 0.170421 0.686975 0.114 Uiso 1 1 calc R U . . .
C8A C 0.6773(10) 0.1451(5) 0.7961(5) 0.078(6) Uani 1 1 d G . . . .
C8B C 0.7408(9) 0.1432(5) 0.8194(5) 0.079(6) Uani 1 1 d G . . . .
H8B H 0.771167 0.117111 0.816792 0.095 Uiso 1 1 calc R U . . .
C8C C 0.7597(10) 0.1796(7) 0.8465(5) 0.101(8) Uani 1 1 d G . . . .
H8C H 0.803116 0.178300 0.862414 0.121 Uiso 1 1 calc R U . . .
C8D C 0.7153(13) 0.2178(5) 0.8503(5) 0.108(9) Uani 1 1 d G . . . .
H8D H 0.728232 0.242653 0.868844 0.129 Uiso 1 1 calc R U . . .
C8E C 0.6518(12) 0.2197(5) 0.8270(7) 0.112(9) Uani 1 1 d G . . . .
H8E H 0.621399 0.245818 0.829651 0.134 Uiso 1 1 calc R U . . .
C8F C 0.6328(9) 0.1833(6) 0.7999(6) 0.093(7) Uani 1 1 d G . . . .
H8F H 0.589449 0.184629 0.784028 0.112 Uiso 1 1 calc R U . . .
C8G C 0.6027(11) 0.0591(6) 0.8045(5) 0.087(7) Uani 1 1 d G . . . .
C8H C 0.6346(9) 0.0173(6) 0.8152(5) 0.094(8) Uani 1 1 d G . . . .
H8H H 0.676770 0.007652 0.800634 0.113 Uiso 1 1 calc R U . . .
C8I C 0.6048(12) -0.0105(6) 0.8472(6) 0.099(8) Uani 1 1 d G . . . .
H8I H 0.626594 -0.039154 0.854451 0.119 Uiso 1 1 calc R U . . .
C8J C 0.5431(12) 0.0035(7) 0.8685(6) 0.122(11) Uani 1 1 d G . . . .
H8J H 0.522761 -0.015499 0.890305 0.146 Uiso 1 1 calc R U . . .
C8K C 0.5113(10) 0.0454(8) 0.8578(7) 0.126(12) Uani 1 1 d G . . . .
H8K H 0.469102 0.054962 0.872343 0.152 Uiso 1 1 calc R U . . .
C8L C 0.5411(11) 0.0732(6) 0.8258(7) 0.109(10) Uani 1 1 d G . . . .
C8M C 0.448(2) 0.1306(15) 0.8330(12) 0.21(3) Uani 1 1 d . . . . .
H8M1 H 0.432674 0.159349 0.818908 0.312 Uiso 1 1 calc R U . . .
H8M2 H 0.409042 0.107768 0.830894 0.312 Uiso 1 1 calc R U . . .
H8M3 H 0.458148 0.136621 0.863590 0.312 Uiso 1 1 calc R U . . .
O8 O 0.5105(14) 0.1129(8) 0.8119(8) 0.124(8) Uani 1 1 d . . . . .
C8N C 0.5864(18) 0.1090(14) 0.7274(9) 0.109(11) Uani 1 1 d . . . . .
H8N1 H 0.566336 0.080408 0.714685 0.131 Uiso 1 1 calc R U . . .
H8N2 H 0.547212 0.125391 0.742535 0.131 Uiso 1 1 calc R U . . .
C9A C 0.8096(11) 0.2075(6) 0.6869(7) 0.103(8) Uani 1 1 d G U . . .
C9B C 0.7739(14) 0.2236(8) 0.6504(6) 0.126(9) Uani 1 1 d G U . . .
H9B H 0.784410 0.210903 0.622686 0.151 Uiso 1 1 calc R U . . .
C9C C 0.7230(14) 0.2582(8) 0.6544(8) 0.141(10) Uani 1 1 d G U . . .
H9C H 0.698604 0.269225 0.629421 0.170 Uiso 1 1 calc R U . . .
C9D C 0.7077(13) 0.2768(8) 0.6949(9) 0.145(10) Uani 1 1 d G U . . .
H9D H 0.672824 0.300433 0.697610 0.174 Uiso 1 1 calc R U . . .
C9E C 0.7433(15) 0.2606(8) 0.7314(7) 0.155(10) Uani 1 1 d G U . . .
H9E H 0.732851 0.273319 0.759065 0.186 Uiso 1 1 calc R U . . .
C9F C 0.7943(13) 0.2260(7) 0.7274(6) 0.137(9) Uani 1 1 d G U . . .
H9F H 0.818658 0.214996 0.752331 0.164 Uiso 1 1 calc R U . . .
C9G C 0.9382(19) 0.1929(11) 0.6431(11) 0.083(7) Uani 0.5 1 d DG U P B 1
C9H C 0.9486(14) 0.1695(8) 0.6043(11) 0.082(7) Uani 0.5 1 d G U P B 1
H9H H 0.929996 0.139196 0.600668 0.098 Uiso 0.5 1 calc R U P B 1
C9I C 0.986(2) 0.1904(11) 0.5707(9) 0.090(7) Uani 0.5 1 d G U P B 1
H9I H 0.993324 0.174340 0.544216 0.108 Uiso 0.5 1 calc R U P B 1
C9J C 1.013(2) 0.2347(12) 0.5760(10) 0.092(8) Uani 0.5 1 d G U P B 1
H9J H 1.039120 0.248970 0.553083 0.110 Uiso 0.5 1 calc R U P B 1
C9K C 1.003(2) 0.2582(10) 0.6148(12) 0.090(8) Uani 0.5 1 d G U P B 1
H9K H 1.021590 0.288456 0.618402 0.108 Uiso 0.5 1 calc R U P B 1
C9L C 0.965(2) 0.2373(12) 0.6483(10) 0.085(7) Uani 0.5 1 d DG U P B 1
C9M C 0.927(3) 0.3043(11) 0.690(2) 0.086(11) Uani 0.5 1 d D U P B 1
H9M1 H 0.908627 0.312079 0.718515 0.130 Uiso 0.5 1 calc R U P B 1
H9M2 H 0.971437 0.320933 0.684352 0.130 Uiso 0.5 1 calc R U P B 1
H9M3 H 0.891394 0.313221 0.667726 0.130 Uiso 0.5 1 calc R U P B 1
O9 O 0.9394(16) 0.2553(9) 0.6871(10) 0.081(7) Uani 0.5 1 d D U P B 1
C9N C 0.952(2) 0.1584(18) 0.7155(14) 0.078(10) Uani 0.5 1 d D U P B 1
H9N1 H 0.984912 0.134514 0.704278 0.093 Uiso 0.5 1 calc R U P B 1
H9N2 H 0.978350 0.188071 0.716447 0.093 Uiso 0.5 1 calc R U P B 1
C9G2 C 0.927(2) 0.1833(12) 0.6283(9) 0.087(8) Uani 0.5 1 d DG U P B 2
C9H2 C 0.924(2) 0.1562(10) 0.5912(11) 0.085(8) Uani 0.5 1 d G U P B 2
H9H2 H 0.900217 0.127111 0.591910 0.102 Uiso 0.5 1 calc R U P B 2
C9I2 C 0.955(2) 0.1715(11) 0.5531(9) 0.091(8) Uani 0.5 1 d G U P B 2
H9I2 H 0.953501 0.152944 0.527739 0.109 Uiso 0.5 1 calc R U P B 2
C9J2 C 0.990(2) 0.2140(12) 0.5521(10) 0.095(8) Uani 0.5 1 d G U P B 2
H9J2 H 1.011646 0.224484 0.526056 0.115 Uiso 0.5 1 calc R U P B 2
C9K2 C 0.993(2) 0.2411(10) 0.5892(12) 0.094(7) Uani 0.5 1 d G U P B 2
H9K2 H 1.016507 0.270193 0.588544 0.113 Uiso 0.5 1 calc R U P B 2
C9L2 C 0.961(2) 0.2258(12) 0.6273(10) 0.089(7) Uani 0.5 1 d DG U P B 2
C9M2 C 0.967(4) 0.3009(12) 0.660(2) 0.100(12) Uani 0.5 1 d D U P B 2
H9M4 H 0.966508 0.313812 0.689775 0.150 Uiso 0.5 1 calc R U P B 2
H9M5 H 1.011450 0.309453 0.645855 0.150 Uiso 0.5 1 calc R U P B 2
H9M6 H 0.926251 0.313054 0.644032 0.150 Uiso 0.5 1 calc R U P B 2
O9B O 0.962(3) 0.2522(11) 0.6628(12) 0.091(7) Uani 0.5 1 d D U P B 2
C9N2 C 0.914(2) 0.1616(13) 0.7338(10) 0.078(10) Uani 0.5 1 d D U P B 2
H9N3 H 0.924081 0.194172 0.741460 0.093 Uiso 0.5 1 calc R U P B 2
H9N4 H 0.873392 0.152165 0.752353 0.093 Uiso 0.5 1 calc R U P B 2
C10A C 1.0468(10) 0.0691(7) 0.7888(6) 0.090(6) Uani 1 1 d G U . . .
C10B C 1.0612(12) 0.0450(7) 0.8268(6) 0.108(7) Uani 1 1 d G U . . .
H10B H 1.023258 0.036724 0.845759 0.129 Uiso 1 1 calc R U . . .
C10C C 1.1310(13) 0.0331(7) 0.8372(6) 0.111(8) Uani 1 1 d G U . . .
H10C H 1.140833 0.016657 0.863141 0.134 Uiso 1 1 calc R U . . .
C10D C 1.1865(10) 0.0452(7) 0.8095(7) 0.112(7) Uani 1 1 d G U . . .
H10D H 1.234205 0.037076 0.816542 0.134 Uiso 1 1 calc R U . . .
C10E C 1.1721(11) 0.0693(7) 0.7715(7) 0.111(7) Uani 1 1 d G U . . .
H10E H 1.210001 0.077563 0.752562 0.134 Uiso 1 1 calc R U . . .
C10F C 1.1023(12) 0.0812(6) 0.7612(5) 0.105(7) Uani 1 1 d G U . . .
H10F H 1.092425 0.097631 0.735179 0.126 Uiso 1 1 calc R U . . .
C10G C 0.916(4) 0.089(2) 0.8311(12) 0.117(10) Uani 0.5 1 d DG U P C 1
C10H C 0.866(3) 0.0556(17) 0.8419(12) 0.119(10) Uani 0.5 1 d G U P C 1
H10H H 0.851787 0.033133 0.821056 0.143 Uiso 0.5 1 calc R U P C 1
C10I C 0.836(3) 0.0549(15) 0.8832(13) 0.125(10) Uani 0.5 1 d G U P C 1
H10I H 0.801758 0.031989 0.890539 0.150 Uiso 0.5 1 calc R U P C 1
C10J C 0.856(3) 0.0877(17) 0.9136(9) 0.129(10) Uani 0.5 1 d G U P C 1
H10J H 0.836137 0.087213 0.941850 0.155 Uiso 0.5 1 calc R U P C 1
C10K C 0.907(3) 0.1212(16) 0.9028(12) 0.125(10) Uani 0.5 1 d G U P C 1
H10K H 0.920545 0.143582 0.923680 0.150 Uiso 0.5 1 calc R U P C 1
C10L C 0.936(3) 0.1218(18) 0.8616(15) 0.122(10) Uani 0.5 1 d DG U P C 1
C10M C 1.016(4) 0.183(2) 0.876(2) 0.129(16) Uani 0.5 1 d D U P C 1
H10A H 1.054737 0.201108 0.862646 0.193 Uiso 0.5 1 calc R U P C 1
H10G H 0.977082 0.203526 0.884149 0.193 Uiso 0.5 1 calc R U P C 1
H10L H 1.034627 0.167234 0.901782 0.193 Uiso 0.5 1 calc R U P C 1
O10 O 0.991(3) 0.1490(19) 0.8453(13) 0.121(10) Uani 0.5 1 d D U P C 1
C10N C 0.927(3) 0.1439(10) 0.7667(16) 0.078(10) Uani 0.5 1 d D U P B 1
H10M H 0.874585 0.147542 0.769851 0.094 Uiso 0.5 1 calc R U P B 1
H10N H 0.950562 0.164553 0.787843 0.094 Uiso 0.5 1 calc R U P B 1
C10O C 0.912(4) 0.0782(19) 0.8322(11) 0.114(10) Uani 0.5 1 d DG U P C 2
C10P C 0.867(3) 0.0405(17) 0.8379(10) 0.117(10) Uani 0.5 1 d G U P C 2
H10P H 0.855328 0.021120 0.814000 0.140 Uiso 0.5 1 calc R U P C 2
C10Q C 0.838(3) 0.0313(13) 0.8785(12) 0.118(10) Uani 0.5 1 d G U P C 2
H10Q H 0.806986 0.005586 0.882395 0.142 Uiso 0.5 1 calc R U P C 2
C10R C 0.854(3) 0.0597(14) 0.9134(9) 0.121(10) Uani 0.5 1 d G U P C 2
H10R H 0.834652 0.053399 0.941202 0.145 Uiso 0.5 1 calc R U P C 2
C10S C 0.899(3) 0.0973(14) 0.9077(11) 0.121(10) Uani 0.5 1 d G U P C 2
H10S H 0.910660 0.116746 0.931614 0.146 Uiso 0.5 1 calc R U P C 2
C10T C 0.928(3) 0.1066(16) 0.8671(15) 0.121(9) Uani 0.5 1 d DG U P C 2
C10U C 0.990(4) 0.170(2) 0.8977(17) 0.121(16) Uani 0.5 1 d D U P C 2
H10O H 1.018243 0.196842 0.890173 0.181 Uiso 0.5 1 calc R U P C 2
H10T H 0.947307 0.179124 0.913823 0.181 Uiso 0.5 1 calc R U P C 2
H10U H 1.018621 0.148744 0.915763 0.181 Uiso 0.5 1 calc R U P C 2
O10B O 0.969(3) 0.1459(17) 0.8587(13) 0.122(10) Uani 0.5 1 d D U P C 2
C10V C 0.9661(19) 0.1395(9) 0.7481(13) 0.069(9) Uani 0.5 1 d D U P B 2
H10V H 0.992160 0.160211 0.768082 0.082 Uiso 0.5 1 calc R U P B 2
H10W H 0.998250 0.133366 0.723279 0.082 Uiso 0.5 1 calc R U P B 2
O20 O 0.374(2) 0.1179(15) 0.9277(13) 0.200(15) Uiso 1 1 d D U . . .
C21 C 0.436(2) 0.1367(18) 0.9478(13) 0.169(19) Uiso 1 1 d D U . . .
H21A H 0.478262 0.129545 0.930141 0.253 Uiso 1 1 calc R U . . .
H21B H 0.430976 0.170311 0.950241 0.253 Uiso 1 1 calc R U . . .
H21C H 0.441919 0.123287 0.976712 0.253 Uiso 1 1 calc R U . . .
C22 C 0.315(2) 0.1288(19) 0.9539(17) 0.20(2) Uiso 1 1 d D U . . .
H22 H 0.322689 0.113671 0.982641 0.241 Uiso 1 1 calc R U . . .
C23 C 0.253(2) 0.1028(14) 0.9316(17) 0.176(18) Uiso 1 1 d D U . . .
H23A H 0.267706 0.091384 0.902748 0.211 Uiso 1 1 calc R U . . .
H23B H 0.237611 0.076029 0.949397 0.211 Uiso 1 1 calc R U . . .
C24 C 0.192(2) 0.1372(18) 0.9272(15) 0.20(2) Uiso 1 1 d D U . . .
H24A H 0.170713 0.135022 0.897952 0.244 Uiso 1 1 calc R U . . .
H24B H 0.154714 0.130686 0.948952 0.244 Uiso 1 1 calc R U . . .
C25 C 0.223(3) 0.1849(16) 0.934(2) 0.24(3) Uiso 1 1 d D U . . .
H25A H 0.188018 0.205123 0.949042 0.293 Uiso 1 1 calc R U . . .
H25B H 0.236702 0.199199 0.906388 0.293 Uiso 1 1 calc R U . . .
C26 C 0.289(3) 0.1772(16) 0.9629(15) 0.24(3) Uiso 1 1 d D U . . .
H26A H 0.326310 0.200006 0.955780 0.290 Uiso 1 1 calc R U . . .
H26B H 0.275962 0.180606 0.993856 0.290 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 Cl1 2.376(5) . ?
Au1 Ir1 2.6947(12) . ?
Au1 Au2 2.8424(13) . ?
Au1 Au5 2.8639(13) . ?
Au1 Au6 2.8760(11) . ?
Au1 Au4 2.8800(12) . ?
Au1 Au3 2.9055(12) . ?
Au2 P1 2.287(6) . ?
Au2 Ir1 2.7420(14) . ?
Au2 Au7 2.8097(12) . ?
Au2 Au3 2.8805(11) . ?
Au2 Au6 2.9098(13) . ?
Au2 Au11 2.9102(12) . ?
Au3 P3 2.275(5) . ?
Au3 Ir1 2.7363(12) . ?
Au3 Au8 2.8111(12) . ?
Au3 Au4 2.8680(13) . ?
Au3 Au7 2.8803(12) . ?
Au4 P5 2.284(6) . ?
Au4 Ir1 2.7360(13) . ?
Au4 Au9 2.8097(12) . ?
Au4 Au8 2.8897(12) . ?
Au4 Au5 2.8982(12) . ?
Au5 P7 2.295(6) . ?
Au5 Ir1 2.7339(14) . ?
Au5 Au10 2.8213(13) . ?
Au5 Au9 2.8714(12) . ?
Au5 Au6 2.8796(14) . ?
Au6 P9 2.271(6) . ?
Au6 Ir1 2.7247(12) . ?
Au6 Au11 2.7829(13) . ?
Au6 Au10 2.8937(13) . ?
Au7 P2 2.287(7) . ?
Au7 Ir1 2.7399(14) . ?
Au7 Au11 2.8689(12) . ?
Au7 Au12 2.8776(14) . ?
Au7 Au8 2.9098(14) . ?
Au8 P4 2.261(5) . ?
Au8 Ir1 2.7288(12) . ?
Au8 Au12 2.8467(13) . ?
Au8 Au9 2.8828(14) . ?
Au9 P6 2.293(6) . ?
Au9 Ir1 2.7482(14) . ?
Au9 Au10 2.8748(14) . ?
Au9 Au12 2.9159(15) . ?
Au10 P8 2.302(6) . ?
Au10 Ir1 2.7457(13) . ?
Au10 Au12 2.8610(14) . ?
Au10 Au11 2.9141(16) . ?
Au11 P10 2.270(6) . ?
Au11 Ir1 2.7277(13) . ?
Au11 Au12 2.8683(14) . ?
Au12 Cl2 2.392(5) . ?
Au12 Ir1 2.6942(12) . ?
P1 C1A 1.788(14) . ?
P1 C1G 1.824(12) . ?
P1 C1N 1.84(2) . ?
P2 C2N 1.81(2) . ?
P2 C2A 1.825(12) . ?
P2 C2G 1.828(12) . ?
P3 C3A 1.820(13) . ?
P3 C3G 1.847(11) . ?
P3 C3N 1.85(2) . ?
P4 C4A 1.828(19) . ?
P4 C4G 1.835(13) . ?
P4 C4N 1.854(19) . ?
P5 C5N 1.83(3) . ?
P5 C5G 1.842(12) . ?
P5 C5A 1.845(11) . ?
P6 C6A 1.814(16) . ?
P6 C6N 1.81(3) . ?
P6 C6G 1.824(13) . ?
P7 C7A 1.767(17) . ?
P7 C7N 1.83(3) . ?
P7 C7G 1.849(13) . ?
P8 C8N 1.74(4) . ?
P8 C8A 1.819(15) . ?
P8 C8G 1.839(14) . ?
P9 C9A 1.792(17) . ?
P9 C9G 1.79(2) . ?
P9 C9N 1.83(3) . ?
P9 C9N2 1.85(3) . ?
P9 C9G2 1.89(2) . ?
P10 C10G 1.81(2) . ?
P10 C10A 1.846(19) . ?
P10 C10N 1.85(3) . ?
P10 C10V 1.88(3) . ?
P10 C10O 1.87(2) . ?
P20 F23 1.56(2) . ?
P20 F24 1.566(19) . ?
P20 F22 1.58(2) . ?
P20 F26 1.599(19) . ?
P20 F21 1.600(18) . ?
P20 F25 1.62(2) . ?
C1A C1B 1.3900 . ?
C1A C1F 1.3900 . ?
C1B C1C 1.3900 . ?
C1C C1D 1.3900 . ?
C1D C1E 1.3900 . ?
C1E C1F 1.3900 . ?
C1G C1H 1.3900 . ?
C1G C1L 1.3900 . ?
C1H C1I 1.3900 . ?
C1I C1J 1.3900 . ?
C1J C1K 1.3900 . ?
C1K C1L 1.3900 . ?
C1L O1 1.33(2) . ?
C1M O1 1.41(3) . ?
C1N C2N 1.59(3) . ?
C2A C2B 1.3900 . ?
C2A C2F 1.3900 . ?
C2B C2C 1.3900 . ?
C2C C2D 1.3900 . ?
C2D C2E 1.3900 . ?
C2E C2F 1.3900 . ?
C2G C2H 1.3900 . ?
C2G C2L 1.3900 . ?
C2H C2I 1.3900 . ?
C2I C2J 1.3900 . ?
C2J C2K 1.3900 . ?
C2K C2L 1.3900 . ?
C2L O2 1.37(2) . ?
C2M O2 1.39(4) . ?
C3A C3B 1.3900 . ?
C3A C3F 1.3900 . ?
C3B C3C 1.3900 . ?
C3C C3D 1.3900 . ?
C3D C3E 1.3900 . ?
C3E C3F 1.3900 . ?
C3G C3H 1.3900 . ?
C3G C3L 1.3900 . ?
C3H C3I 1.3900 . ?
C3I C3J 1.3900 . ?
C3J C3K 1.3900 . ?
C3K C3L 1.3900 . ?
C3L O3 1.38(2) . ?
C3M O3 1.40(3) . ?
C3N C4N 1.51(3) . ?
C4A C4B 1.3900 . ?
C4A C4F 1.3900 . ?
C4B C4C 1.3900 . ?
C4C C4D 1.3900 . ?
C4D C4E 1.3900 . ?
C4E C4F 1.3900 . ?
C4G C4H 1.3900 . ?
C4G C4L 1.3900 . ?
C4H C4I 1.3900 . ?
C4I C4J 1.3900 . ?
C4J C4K 1.3900 . ?
C4K C4L 1.3900 . ?
C4L O4B 1.37(3) . ?
C4L O4 1.38(2) . ?
C4M O4 1.44(3) . ?
C4M2 O4B 1.42(3) . ?
C5A C5B 1.3900 . ?
C5A C5F 1.3900 . ?
C5B C5C 1.3900 . ?
C5C C5D 1.3900 . ?
C5D C5E 1.3900 . ?
C5E C5F 1.3900 . ?
C5G C5H 1.3900 . ?
C5G C5L 1.3900 . ?
C5H C5I 1.3900 . ?
C5I C5J 1.3900 . ?
C5J C5K 1.3900 . ?
C5K C5L 1.3900 . ?
C5L O5 1.39(2) . ?
C5M O5 1.41(3) . ?
C5N C6N 1.57(3) . ?
C6A C6B 1.3900 . ?
C6A C6F 1.3900 . ?
C6B C6C 1.3900 . ?
C6C C6D 1.3900 . ?
C6D C6E 1.3900 . ?
C6E C6F 1.3900 . ?
C6G C6H 1.3900 . ?
C6G C6L 1.3900 . ?
C6H C6I 1.3900 . ?
C6I C6J 1.3900 . ?
C6J C6K 1.3900 . ?
C6K C6L 1.3900 . ?
C6L O6 1.30(3) . ?
C6M O6 1.40(3) . ?
C7A C7B 1.3900 . ?
C7A C7F 1.3900 . ?
C7B C7C 1.3900 . ?
C7C C7D 1.3900 . ?
C7D C7E 1.3900 . ?
C7E C7F 1.3900 . ?
C7G C7H 1.3900 . ?
C7G C7L 1.3900 . ?
C7H C7I 1.3900 . ?
C7I C7J 1.3900 . ?
C7J C7K 1.3900 . ?
C7K C7L 1.3900 . ?
C7L O7 1.35(3) . ?
C7M O7 1.47(4) . ?
C7N C8N 1.64(4) . ?
C8A C8B 1.3900 . ?
C8A C8F 1.3900 . ?
C8B C8C 1.3900 . ?
C8C C8D 1.3900 . ?
C8D C8E 1.3900 . ?
C8E C8F 1.3900 . ?
C8G C8H 1.3900 . ?
C8G C8L 1.3900 . ?
C8H C8I 1.3900 . ?
C8I C8J 1.3900 . ?
C8J C8K 1.3900 . ?
C8K C8L 1.3900 . ?
C8L O8 1.35(3) . ?
C8M O8 1.44(4) . ?
C9A C9B 1.3900 . ?
C9A C9F 1.3900 . ?
C9B C9C 1.3900 . ?
C9C C9D 1.3900 . ?
C9D C9E 1.3900 . ?
C9E C9F 1.3900 . ?
C9G C9H 1.3900 . ?
C9G C9L 1.3900 . ?
C9H C9I 1.3900 . ?
C9I C9J 1.3900 . ?
C9J C9K 1.3900 . ?
C9K C9L 1.3900 . ?
C9L O9 1.39(2) . ?
C9M O9 1.44(3) . ?
C9N C10N 1.70(7) . ?
C9G2 C9H2 1.3900 . ?
C9G2 C9L2 1.3900 . ?
C9H2 C9I2 1.3900 . ?
C9I2 C9J2 1.3900 . ?
C9J2 C9K2 1.3900 . ?
C9K2 C9L2 1.3900 . ?
C9L2 O9B 1.33(3) . ?
C9M2 O9B 1.41(3) . ?
C9N2 C10V 1.25(4) . ?
C10A C10B 1.3900 . ?
C10A C10F 1.3900 . ?
C10B C10C 1.3900 . ?
C10C C10D 1.3900 . ?
C10D C10E 1.3900 . ?
C10E C10F 1.3900 . ?
C10G C10H 1.3900 . ?
C10G C10L 1.3900 . ?
C10H C10I 1.3900 . ?
C10I C10J 1.3900 . ?
C10J C10K 1.3900 . ?
C10K C10L 1.3900 . ?
C10L O10 1.38(3) . ?
C10M O10 1.44(3) . ?
C10O C10P 1.3900 . ?
C10O C10T 1.3900 . ?
C10P C10Q 1.3900 . ?
C10Q C10R 1.3900 . ?
C10R C10S 1.3900 . ?
C10S C10T 1.3900 . ?
C10T O10B 1.39(3) . ?
C10U O10B 1.44(3) . ?
O20 C22 1.41(3) . ?
O20 C21 1.42(3) . ?
C22 C26 1.51(3) . ?
C22 C23 1.55(3) . ?
C23 C24 1.51(3) . ?
C24 C25 1.51(3) . ?
C25 C26 1.53(3) . ?

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
Cl1 Au1 Ir1 178.49(17) . . ?
Cl1 Au1 Au2 119.25(17) . . ?
Ir1 Au1 Au2 59.30(3) . . ?
Cl1 Au1 Au5 122.10(16) . . ?
Ir1 Au1 Au5 58.83(3) . . ?
Au2 Au1 Au5 109.73(4) . . ?
Cl1 Au1 Au6 120.69(15) . . ?
Ir1 Au1 Au6 58.46(3) . . ?
Au2 Au1 Au6 61.17(3) . . ?
Au5 Au1 Au6 60.22(3) . . ?
Cl1 Au1 Au4 122.74(16) . . ?
Ir1 Au1 Au4 58.67(3) . . ?
Au2 Au1 Au4 108.62(4) . . ?
Au5 Au1 Au4 60.61(3) . . ?
Au6 Au1 Au4 108.61(4) . . ?
Cl1 Au1 Au3 121.59(15) . . ?
Ir1 Au1 Au3 58.35(3) . . ?
Au2 Au1 Au3 60.14(3) . . ?
Au5 Au1 Au3 108.26(4) . . ?
Au6 Au1 Au3 108.49(4) . . ?
Au4 Au1 Au3 59.43(3) . . ?
P1 Au2 Ir1 163.53(14) . . ?
P1 Au2 Au7 106.25(15) . . ?
Ir1 Au2 Au7 59.13(3) . . ?
P1 Au2 Au1 128.43(15) . . ?
Ir1 Au2 Au1 57.67(3) . . ?
Au7 Au2 Au1 109.20(4) . . ?
P1 Au2 Au3 109.30(14) . . ?
Ir1 Au2 Au3 58.18(3) . . ?
Au7 Au2 Au3 60.81(3) . . ?
Au1 Au2 Au3 61.02(3) . . ?
P1 Au2 Au6 138.62(14) . . ?
Ir1 Au2 Au6 57.55(3) . . ?
Au7 Au2 Au6 106.78(4) . . ?
Au1 Au2 Au6 59.98(3) . . ?
Au3 Au2 Au6 108.24(4) . . ?
P1 Au2 Au11 124.12(15) . . ?
Ir1 Au2 Au11 57.62(3) . . ?
Au7 Au2 Au11 60.18(3) . . ?
Au1 Au2 Au11 105.83(4) . . ?
Au3 Au2 Au11 107.70(4) . . ?
Au6 Au2 Au11 57.13(3) . . ?
P3 Au3 Ir1 162.37(16) . . ?
P3 Au3 Au8 104.76(15) . . ?
Ir1 Au3 Au8 58.91(3) . . ?
P3 Au3 Au4 109.35(16) . . ?
Ir1 Au3 Au4 58.39(3) . . ?
Au8 Au3 Au4 61.16(3) . . ?
P3 Au3 Au7 122.24(15) . . ?
Ir1 Au3 Au7 58.33(3) . . ?
Au8 Au3 Au7 61.48(3) . . ?
Au4 Au3 Au7 109.29(4) . . ?
P3 Au3 Au2 138.71(16) . . ?
Ir1 Au3 Au2 58.37(3) . . ?
Au8 Au3 Au2 108.37(4) . . ?
Au4 Au3 Au2 107.90(4) . . ?
Au7 Au3 Au2 58.38(3) . . ?
P3 Au3 Au1 130.75(15) . . ?
Ir1 Au3 Au1 56.97(3) . . ?
Au8 Au3 Au1 108.06(4) . . ?
Au4 Au3 Au1 59.84(3) . . ?
Au7 Au3 Au1 105.55(3) . . ?
Au2 Au3 Au1 58.84(3) . . ?
P5 Au4 Ir1 163.96(15) . . ?
P5 Au4 Au9 105.95(15) . . ?
Ir1 Au4 Au9 59.40(3) . . ?
P5 Au4 Au3 137.23(15) . . ?
Ir1 Au4 Au3 58.40(3) . . ?
Au9 Au4 Au3 108.45(4) . . ?
P5 Au4 Au1 129.06(14) . . ?
Ir1 Au4 Au1 57.28(3) . . ?
Au9 Au4 Au1 108.08(4) . . ?
Au3 Au4 Au1 60.73(3) . . ?
P5 Au4 Au8 122.89(14) . . ?
Ir1 Au4 Au8 57.96(3) . . ?
Au9 Au4 Au8 60.75(3) . . ?
Au3 Au4 Au8 58.45(3) . . ?
Au1 Au4 Au8 106.63(4) . . ?
P5 Au4 Au5 110.40(15) . . ?
Ir1 Au4 Au5 57.97(3) . . ?
Au9 Au4 Au5 60.38(3) . . ?
Au3 Au4 Au5 108.35(4) . . ?
Au1 Au4 Au5 59.42(3) . . ?
Au8 Au4 Au5 107.76(4) . . ?
P7 Au5 Ir1 163.54(16) . . ?
P7 Au5 Au10 105.49(15) . . ?
Ir1 Au5 Au10 59.22(3) . . ?
P7 Au5 Au1 130.04(16) . . ?
Ir1 Au5 Au1 57.49(3) . . ?
Au10 Au5 Au1 108.81(4) . . ?
P7 Au5 Au9 121.44(16) . . ?
Ir1 Au5 Au9 58.66(3) . . ?
Au10 Au5 Au9 60.65(3) . . ?
Au1 Au5 Au9 106.84(4) . . ?
P7 Au5 Au6 110.67(17) . . ?
Ir1 Au5 Au6 58.01(3) . . ?
Au10 Au5 Au6 61.00(3) . . ?
Au1 Au5 Au6 60.10(3) . . ?
Au9 Au5 Au6 108.60(4) . . ?
P7 Au5 Au4 137.73(17) . . ?
Ir1 Au5 Au4 58.04(3) . . ?
Au10 Au5 Au4 107.68(4) . . ?
Au1 Au5 Au4 59.97(3) . . ?
Au9 Au5 Au4 58.28(3) . . ?
Au6 Au5 Au4 108.01(4) . . ?
P9 Au6 Ir1 165.64(17) . . ?
P9 Au6 Au11 106.29(17) . . ?
Ir1 Au6 Au11 59.36(3) . . ?
P9 Au6 Au1 134.09(18) . . ?
Ir1 Au6 Au1 57.44(3) . . ?
Au11 Au6 Au1 108.37(4) . . ?
P9 Au6 Au5 132.37(19) . . ?
Ir1 Au6 Au5 58.32(3) . . ?
Au11 Au6 Au5 108.80(4) . . ?
Au1 Au6 Au5 59.68(3) . . ?
P9 Au6 Au10 116.10(19) . . ?
Ir1 Au6 Au10 58.42(3) . . ?
Au11 Au6 Au10 61.74(4) . . ?
Au1 Au6 Au10 106.50(4) . . ?
Au5 Au6 Au10 58.51(3) . . ?
P9 Au6 Au2 117.3(2) . . ?
Ir1 Au6 Au2 58.13(3) . . ?
Au11 Au6 Au2 61.44(3) . . ?
Au1 Au6 Au2 58.84(3) . . ?
Au5 Au6 Au2 107.42(4) . . ?
Au10 Au6 Au2 109.29(4) . . ?
P2 Au7 Ir1 161.42(16) . . ?
P2 Au7 Au2 104.35(16) . . ?
Ir1 Au7 Au2 59.20(3) . . ?
P2 Au7 Au11 107.77(15) . . ?
Ir1 Au7 Au11 58.14(3) . . ?
Au2 Au7 Au11 61.65(3) . . ?
P2 Au7 Au12 129.14(15) . . ?
Ir1 Au7 Au12 57.26(3) . . ?
Au2 Au7 Au12 108.83(4) . . ?
Au11 Au7 Au12 59.89(3) . . ?
P2 Au7 Au3 123.91(14) . . ?
Ir1 Au7 Au3 58.21(3) . . ?
Au2 Au7 Au3 60.81(3) . . ?
Au11 Au7 Au3 108.83(4) . . ?
Au12 Au7 Au3 105.83(4) . . ?
P2 Au7 Au8 140.70(16) . . ?
Ir1 Au7 Au8 57.67(3) . . ?
Au2 Au7 Au8 107.59(4) . . ?
Au11 Au7 Au8 107.25(4) . . ?
Au12 Au7 Au8 58.92(3) . . ?
Au3 Au7 Au8 58.09(3) . . ?
P4 Au8 Ir1 165.82(18) . . ?
P4 Au8 Au3 107.64(17) . . ?
Ir1 Au8 Au3 59.18(3) . . ?
P4 Au8 Au12 128.74(16) . . ?
Ir1 Au8 Au12 57.75(3) . . ?
Au3 Au8 Au12 108.56(4) . . ?
P4 Au8 Au9 135.02(18) . . ?
Ir1 Au8 Au9 58.57(3) . . ?
Au3 Au8 Au9 108.00(4) . . ?
Au12 Au8 Au9 61.18(3) . . ?
P4 Au8 Au4 121.98(17) . . ?
Ir1 Au8 Au4 58.20(3) . . ?
Au3 Au8 Au4 60.39(3) . . ?
Au12 Au8 Au4 107.17(4) . . ?
Au9 Au8 Au4 58.25(3) . . ?
P4 Au8 Au7 112.18(18) . . ?
Ir1 Au8 Au7 58.04(3) . . ?
Au3 Au8 Au7 60.43(3) . . ?
Au12 Au8 Au7 59.97(3) . . ?
Au9 Au8 Au7 108.88(4) . . ?
Au4 Au8 Au7 107.88(4) . . ?
P6 Au9 Ir1 162.26(17) . . ?
P6 Au9 Au4 105.32(16) . . ?
Ir1 Au9 Au4 58.97(3) . . ?
P6 Au9 Au5 124.12(16) . . ?
Ir1 Au9 Au5 58.17(3) . . ?
Au4 Au9 Au5 61.34(3) . . ?
P6 Au9 Au10 139.19(17) . . ?
Ir1 Au9 Au10 58.41(3) . . ?
Au4 Au9 Au10 108.65(4) . . ?
Au5 Au9 Au10 58.81(3) . . ?
P6 Au9 Au8 108.58(17) . . ?
Ir1 Au9 Au8 57.91(3) . . ?
Au4 Au9 Au8 61.00(3) . . ?
Au5 Au9 Au8 108.68(4) . . ?
Au10 Au9 Au8 107.33(4) . . ?
P6 Au9 Au12 129.02(16) . . ?
Ir1 Au9 Au12 56.71(3) . . ?
Au4 Au9 Au12 107.45(4) . . ?
Au5 Au9 Au12 105.74(4) . . ?
Au10 Au9 Au12 59.21(3) . . ?
Au8 Au9 Au12 58.80(3) . . ?
P8 Au10 Ir1 161.7(2) . . ?
P8 Au10 Au5 105.51(19) . . ?
Ir1 Au10 Au5 58.81(3) . . ?
P8 Au10 Au12 127.84(17) . . ?
Ir1 Au10 Au12 57.40(3) . . ?
Au5 Au10 Au12 108.58(4) . . ?
P8 Au10 Au9 106.7(2) . . ?
Ir1 Au10 Au9 58.49(3) . . ?
Au5 Au10 Au9 60.54(3) . . ?
Au12 Au10 Au9 61.11(3) . . ?
P8 Au10 Au6 125.49(17) . . ?
Ir1 Au10 Au6 57.71(3) . . ?
Au5 Au10 Au6 60.50(3) . . ?
Au12 Au10 Au6 105.55(4) . . ?
Au9 Au10 Au6 108.13(4) . . ?
P8 Au10 Au11 140.7(2) . . ?
Ir1 Au10 Au11 57.53(3) . . ?
Au5 Au10 Au11 106.79(4) . . ?
Au12 Au10 Au11 59.55(3) . . ?
Au9 Au10 Au11 108.36(4) . . ?
Au6 Au10 Au11 57.26(3) . . ?
P10 Au11 Ir1 166.20(18) . . ?
P10 Au11 Au6 107.42(17) . . ?
Ir1 Au11 Au6 59.26(3) . . ?
P10 Au11 Au12 130.3(2) . . ?
Ir1 Au11 Au12 57.49(3) . . ?
Au6 Au11 Au12 108.35(4) . . ?
P10 Au11 Au7 134.2(2) . . ?
Ir1 Au11 Au7 58.56(3) . . ?
Au6 Au11 Au7 108.65(4) . . ?
Au12 Au11 Au7 60.21(3) . . ?
P10 Au11 Au2 120.7(2) . . ?
Ir1 Au11 Au2 58.09(3) . . ?
Au6 Au11 Au2 61.43(3) . . ?
Au12 Au11 Au2 106.34(4) . . ?
Au7 Au11 Au2 58.17(3) . . ?
P10 Au11 Au10 113.7(2) . . ?
Ir1 Au11 Au10 58.13(3) . . ?
Au6 Au11 Au10 61.00(3) . . ?
Au12 Au11 Au10 59.30(4) . . ?
Au7 Au11 Au10 108.12(4) . . ?
Au2 Au11 Au10 108.71(4) . . ?
Cl2 Au12 Ir1 178.8(2) . . ?
Cl2 Au12 Au8 121.1(2) . . ?
Ir1 Au12 Au8 58.93(3) . . ?
Cl2 Au12 Au10 121.5(2) . . ?
Ir1 Au12 Au10 59.15(3) . . ?
Au8 Au12 Au10 108.71(4) . . ?
Cl2 Au12 Au11 120.7(2) . . ?
Ir1 Au12 Au11 58.63(3) . . ?
Au8 Au12 Au11 109.01(4) . . ?
Au10 Au12 Au11 61.15(4) . . ?
Cl2 Au12 Au7 120.1(2) . . ?
Ir1 Au12 Au7 58.80(3) . . ?
Au8 Au12 Au7 61.10(3) . . ?
Au10 Au12 Au7 109.35(4) . . ?
Au11 Au12 Au7 59.91(3) . . ?
Cl2 Au12 Au9 122.6(2) . . ?
Ir1 Au12 Au9 58.50(3) . . ?
Au8 Au12 Au9 60.02(3) . . ?
Au10 Au12 Au9 59.68(3) . . ?
Au11 Au12 Au9 108.49(4) . . ?
Au7 Au12 Au9 108.85(4) . . ?
Au12 Ir1 Au1 179.51(6) . . ?
Au12 Ir1 Au6 115.47(4) . . ?
Au1 Ir1 Au6 64.10(3) . . ?
Au12 Ir1 Au11 63.88(4) . . ?
Au1 Ir1 Au11 115.63(4) . . ?
Au6 Ir1 Au11 61.38(3) . . ?
Au12 Ir1 Au8 63.32(3) . . ?
Au1 Ir1 Au8 117.10(4) . . ?
Au6 Ir1 Au8 178.39(5) . . ?
Au11 Ir1 Au8 117.02(4) . . ?
Au12 Ir1 Au5 116.43(5) . . ?
Au1 Ir1 Au5 63.68(3) . . ?
Au6 Ir1 Au5 63.68(4) . . ?
Au11 Ir1 Au5 114.93(4) . . ?
Au8 Ir1 Au5 117.70(5) . . ?
Au12 Ir1 Au4 116.44(4) . . ?
Au1 Ir1 Au4 64.05(3) . . ?
Au6 Ir1 Au4 117.76(4) . . ?
Au11 Ir1 Au4 178.92(5) . . ?
Au8 Ir1 Au4 63.85(3) . . ?
Au5 Ir1 Au4 63.99(3) . . ?
Au12 Ir1 Au3 115.52(4) . . ?
Au1 Ir1 Au3 64.68(3) . . ?
Au6 Ir1 Au3 118.44(4) . . ?
Au11 Ir1 Au3 117.68(5) . . ?
Au8 Ir1 Au3 61.91(3) . . ?
Au5 Ir1 Au3 117.45(4) . . ?
Au4 Ir1 Au3 63.21(3) . . ?
Au12 Ir1 Au7 63.94(4) . . ?
Au1 Ir1 Au7 115.93(4) . . ?
Au6 Ir1 Au7 114.32(5) . . ?
Au11 Ir1 Au7 63.30(3) . . ?
Au8 Ir1 Au7 64.29(4) . . ?
Au5 Ir1 Au7 177.99(5) . . ?
Au4 Ir1 Au7 117.78(4) . . ?
Au3 Ir1 Au7 63.47(3) . . ?
Au12 Ir1 Au2 116.60(5) . . ?
Au1 Ir1 Au2 63.04(3) . . ?
Au6 Ir1 Au2 64.32(3) . . ?
Au11 Ir1 Au2 64.29(4) . . ?
Au8 Ir1 Au2 115.06(4) . . ?
Au5 Ir1 Au2 116.90(4) . . ?
Au4 Ir1 Au2 116.08(4) . . ?
Au3 Ir1 Au2 63.44(3) . . ?
Au7 Ir1 Au2 61.67(3) . . ?
Au12 Ir1 Au10 63.45(3) . . ?
Au1 Ir1 Au10 116.37(4) . . ?
Au6 Ir1 Au10 63.87(3) . . ?
Au11 Ir1 Au10 64.34(4) . . ?
Au8 Ir1 Au10 115.83(4) . . ?
Au5 Ir1 Au10 61.98(3) . . ?
Au4 Ir1 Au10 114.79(5) . . ?
Au3 Ir1 Au10 177.35(5) . . ?
Au7 Ir1 Au10 117.20(4) . . ?
Au2 Ir1 Au10 119.19(4) . . ?
Au12 Ir1 Au9 64.78(4) . . ?
Au1 Ir1 Au9 115.59(4) . . ?
Au6 Ir1 Au9 117.16(4) . . ?
Au11 Ir1 Au9 118.01(4) . . ?
Au8 Ir1 Au9 63.52(4) . . ?
Au5 Ir1 Au9 63.17(4) . . ?
Au4 Ir1 Au9 61.64(3) . . ?
Au3 Ir1 Au9 114.26(4) . . ?
Au7 Ir1 Au9 118.33(4) . . ?
Au2 Ir1 Au9 177.59(5) . . ?
Au10 Ir1 Au9 63.10(4) . . ?
C1A P1 C1G 105.8(9) . . ?
C1A P1 C1N 106.8(10) . . ?
C1G P1 C1N 104.3(9) . . ?
C1A P1 Au2 117.8(6) . . ?
C1G P1 Au2 113.8(6) . . ?
C1N P1 Au2 107.3(9) . . ?
C2N P2 C2A 109.3(11) . . ?
C2N P2 C2G 104.8(9) . . ?
C2A P2 C2G 104.0(8) . . ?
C2N P2 Au7 106.4(9) . . ?
C2A P2 Au7 118.9(6) . . ?
C2G P2 Au7 112.6(6) . . ?
C3A P3 C3G 105.9(8) . . ?
C3A P3 C3N 106.4(10) . . ?
C3G P3 C3N 106.5(9) . . ?
C3A P3 Au3 118.2(5) . . ?
C3G P3 Au3 113.3(5) . . ?
C3N P3 Au3 105.9(8) . . ?
C4A P4 C4G 105.5(11) . . ?
C4A P4 C4N 107.1(12) . . ?
C4G P4 C4N 102.9(10) . . ?
C4A P4 Au8 119.1(9) . . ?
C4G P4 Au8 113.6(6) . . ?
C4N P4 Au8 107.3(8) . . ?
C5N P5 C5G 107.7(9) . . ?
C5N P5 C5A 106.5(10) . . ?
C5G P5 C5A 104.3(8) . . ?
C5N P5 Au4 106.6(9) . . ?
C5G P5 Au4 111.7(5) . . ?
C5A P5 Au4 119.5(6) . . ?
C6A P6 C6N 105.2(11) . . ?
C6A P6 C6G 102.4(9) . . ?
C6N P6 C6G 106.7(10) . . ?
C6A P6 Au9 122.6(7) . . ?
C6N P6 Au9 107.0(9) . . ?
C6G P6 Au9 111.8(7) . . ?
C7A P7 C7N 107.6(13) . . ?
C7A P7 C7G 105.1(10) . . ?
C7N P7 C7G 106.3(12) . . ?
C7A P7 Au5 119.8(7) . . ?
C7N P7 Au5 104.8(12) . . ?
C7G P7 Au5 112.6(6) . . ?
C8N P8 C8A 109.7(15) . . ?
C8N P8 C8G 102.7(13) . . ?
C8A P8 C8G 103.2(8) . . ?
C8N P8 Au10 107.6(10) . . ?
C8A P8 Au10 119.2(7) . . ?
C8G P8 Au10 113.2(6) . . ?
C9A P9 C9G 102.5(14) . . ?
C9A P9 C9N 120.8(18) . . ?
C9G P9 C9N 86(2) . . ?
C9A P9 C9N2 99.0(14) . . ?
C9A P9 C9G2 105.3(16) . . ?
C9N2 P9 C9G2 125(2) . . ?
C9A P9 Au6 116.4(8) . . ?
C9G P9 Au6 122.4(12) . . ?
C9N P9 Au6 106.3(16) . . ?
C9N2 P9 Au6 104.5(13) . . ?
C9G2 P9 Au6 107.0(11) . . ?
C10G P10 C10A 102(3) . . ?
C10G P10 C10N 88(3) . . ?
C10A P10 C10N 119.6(19) . . ?
C10A P10 C10V 99.1(15) . . ?
C10A P10 C10O 101(3) . . ?
C10V P10 C10O 124(2) . . ?
C10G P10 Au11 116.3(19) . . ?
C10A P10 Au11 117.8(7) . . ?
C10N P10 Au11 109.3(16) . . ?
C10V P10 Au11 106.7(12) . . ?
C10O P10 Au11 108.6(18) . . ?
F23 P20 F24 177.1(13) . . ?
F23 P20 F22 93.7(13) . . ?
F24 P20 F22 89.0(12) . . ?
F23 P20 F26 87.8(13) . . ?
F24 P20 F26 91.0(10) . . ?
F22 P20 F26 91.8(12) . . ?
F23 P20 F21 92.5(13) . . ?
F24 P20 F21 88.6(10) . . ?
F22 P20 F21 90.5(12) . . ?
F26 P20 F21 177.7(13) . . ?
F23 P20 F25 87.1(13) . . ?
F24 P20 F25 90.2(12) . . ?
F22 P20 F25 178.7(13) . . ?
F26 P20 F25 89.2(10) . . ?
F21 P20 F25 88.5(11) . . ?
C1B C1A C1F 120.0 . . ?
C1B C1A P1 116.7(11) . . ?
C1F C1A P1 123.3(11) . . ?
C1A C1B C1C 120.0 . . ?
C1D C1C C1B 120.0 . . ?
C1C C1D C1E 120.0 . . ?
C1D C1E C1F 120.0 . . ?
C1E C1F C1A 120.0 . . ?
C1H C1G C1L 120.0 . . ?
C1H C1G P1 116.6(9) . . ?
C1L C1G P1 123.3(9) . . ?
C1I C1H C1G 120.0 . . ?
C1H C1I C1J 120.0 . . ?
C1I C1J C1K 120.0 . . ?
C1L C1K C1J 120.0 . . ?
O1 C1L C1K 123.0(13) . . ?
O1 C1L C1G 116.9(13) . . ?
C1K C1L C1G 120.0 . . ?
C1L O1 C1M 117(2) . . ?
C2N C1N P1 112.0(15) . . ?
C2B C2A C2F 120.0 . . ?
C2B C2A P2 117.1(9) . . ?
C2F C2A P2 122.9(9) . . ?
C2A C2B C2C 120.0 . . ?
C2D C2C C2B 120.0 . . ?
C2C C2D C2E 120.0 . . ?
C2D C2E C2F 120.0 . . ?
C2E C2F C2A 120.0 . . ?
C2H C2G C2L 120.0 . . ?
C2H C2G P2 116.0(10) . . ?
C2L C2G P2 123.9(10) . . ?
C2G C2H C2I 120.0 . . ?
C2J C2I C2H 120.0 . . ?
C2I C2J C2K 120.0 . . ?
C2L C2K C2J 120.0 . . ?
O2 C2L C2K 124.4(14) . . ?
O2 C2L C2G 115.6(14) . . ?
C2K C2L C2G 120.0 . . ?
C2L O2 C2M 117(2) . . ?
C1N C2N P2 111.7(15) . . ?
C3B C3A C3F 120.0 . . ?
C3B C3A P3 123.0(9) . . ?
C3F C3A P3 117.0(9) . . ?
C3C C3B C3A 120.0 . . ?
C3B C3C C3D 120.0 . . ?
C3C C3D C3E 120.0 . . ?
C3F C3E C3D 120.0 . . ?
C3E C3F C3A 120.0 . . ?
C3H C3G C3L 120.0 . . ?
C3H C3G P3 115.9(7) . . ?
C3L C3G P3 124.1(7) . . ?
C3I C3H C3G 120.0 . . ?
C3H C3I C3J 120.0 . . ?
C3I C3J C3K 120.0 . . ?
C3L C3K C3J 120.0 . . ?
O3 C3L C3K 124.7(11) . . ?
O3 C3L C3G 115.3(11) . . ?
C3K C3L C3G 120.0 . . ?
C3L O3 C3M 118.6(19) . . ?
C4N C3N P3 114.5(19) . . ?
C4B C4A C4F 120.0 . . ?
C4B C4A P4 116.3(15) . . ?
C4F C4A P4 123.6(15) . . ?
C4C C4B C4A 120.0 . . ?
C4B C4C C4D 120.0 . . ?
C4E C4D C4C 120.0 . . ?
C4F C4E C4D 120.0 . . ?
C4E C4F C4A 120.0 . . ?
C4H C4G C4L 120.0 . . ?
C4H C4G P4 115.5(9) . . ?
C4L C4G P4 124.4(9) . . ?
C4I C4H C4G 120.0 . . ?
C4H C4I C4J 120.0 . . ?
C4K C4J C4I 120.0 . . ?
C4J C4K C4L 120.0 . . ?
O4B C4L C4K 123(2) . . ?
O4 C4L C4K 122(2) . . ?
O4B C4L C4G 116(2) . . ?
O4 C4L C4G 116(2) . . ?
C4K C4L C4G 120.0 . . ?
C4L O4 C4M 123(4) . . ?
C4L O4B C4M2 111(3) . . ?
C3N C4N P4 114.4(17) . . ?
C5B C5A C5F 120.0 . . ?
C5B C5A P5 115.6(9) . . ?
C5F C5A P5 124.3(9) . . ?
C5A C5B C5C 120.0 . . ?
C5D C5C C5B 120.0 . . ?
C5C C5D C5E 120.0 . . ?
C5F C5E C5D 120.0 . . ?
C5E C5F C5A 120.0 . . ?
C5H C5G C5L 120.0 . . ?
C5H C5G P5 116.8(9) . . ?
C5L C5G P5 123.2(9) . . ?
C5G C5H C5I 120.0 . . ?
C5H C5I C5J 120.0 . . ?
C5I C5J C5K 120.0 . . ?
C5L C5K C5J 120.0 . . ?
C5K C5L C5G 120.0 . . ?
C5K C5L O5 124.2(13) . . ?
C5G C5L O5 115.7(13) . . ?
C5L O5 C5M 116.1(18) . . ?
C6N C5N P5 114.5(16) . . ?
C6B C6A C6F 120.0 . . ?
C6B C6A P6 123.3(11) . . ?
C6F C6A P6 116.5(11) . . ?
C6C C6B C6A 120.0 . . ?
C6B C6C C6D 120.0 . . ?
C6E C6D C6C 120.0 . . ?
C6D C6E C6F 120.0 . . ?
C6E C6F C6A 120.0 . . ?
C6H C6G C6L 120.0 . . ?
C6H C6G P6 117.0(10) . . ?
C6L C6G P6 123.0(10) . . ?
C6G C6H C6I 120.0 . . ?
C6H C6I C6J 120.0 . . ?
C6K C6J C6I 120.0 . . ?
C6J C6K C6L 120.0 . . ?
O6 C6L C6K 123.0(15) . . ?
O6 C6L C6G 117.0(15) . . ?
C6K C6L C6G 120.0 . . ?
C6L O6 C6M 120(2) . . ?
C5N C6N P6 112.1(17) . . ?
C7B C7A C7F 120.0 . . ?
C7B C7A P7 117.5(12) . . ?
C7F C7A P7 122.5(12) . . ?
C7A C7B C7C 120.0 . . ?
C7D C7C C7B 120.0 . . ?
C7C C7D C7E 120.0 . . ?
C7F C7E C7D 120.0 . . ?
C7E C7F C7A 120.0 . . ?
C7H C7G C7L 120.0 . . ?
C7H C7G P7 116.9(9) . . ?
C7L C7G P7 122.9(9) . . ?
C7I C7H C7G 120.0 . . ?
C7H C7I C7J 120.0 . . ?
C7K C7J C7I 120.0 . . ?
C7J C7K C7L 120.0 . . ?
O7 C7L C7K 125.0(14) . . ?
O7 C7L C7G 114.9(14) . . ?
C7K C7L C7G 120.0 . . ?
C7L O7 C7M 119(2) . . ?
C8N C7N P7 114(2) . . ?
C8B C8A C8F 120.0 . . ?
C8B C8A P8 117.6(11) . . ?
C8F C8A P8 122.2(11) . . ?
C8A C8B C8C 120.0 . . ?
C8D C8C C8B 120.0 . . ?
C8C C8D C8E 120.0 . . ?
C8D C8E C8F 120.0 . . ?
C8E C8F C8A 120.0 . . ?
C8H C8G C8L 120.0 . . ?
C8H C8G P8 115.0(10) . . ?
C8L C8G P8 124.8(10) . . ?
C8G C8H C8I 120.0 . . ?
C8H C8I C8J 120.0 . . ?
C8I C8J C8K 120.0 . . ?
C8L C8K C8J 120.0 . . ?
O8 C8L C8K 123.2(15) . . ?
O8 C8L C8G 116.7(15) . . ?
C8K C8L C8G 120.0 . . ?
C8L O8 C8M 120(2) . . ?
C7N C8N P8 112(2) . . ?
C9B C9A C9F 120.0 . . ?
C9B C9A P9 116.8(13) . . ?
C9F C9A P9 123.2(13) . . ?
C9C C9B C9A 120.0 . . ?
C9D C9C C9B 120.0 . . ?
C9E C9D C9C 120.0 . . ?
C9D C9E C9F 120.0 . . ?
C9E C9F C9A 120.0 . . ?
C9H C9G C9L 120.0 . . ?
C9H C9G P9 113(2) . . ?
C9L C9G P9 126(2) . . ?
C9I C9H C9G 120.0 . . ?
C9H C9I C9J 120.0 . . ?
C9I C9J C9K 120.0 . . ?
C9L C9K C9J 120.0 . . ?
C9K C9L C9G 120.0 . . ?
C9K C9L O9 131(2) . . ?
C9G C9L O9 109(2) . . ?
C9L O9 C9M 118(4) . . ?
C10N C9N P9 113(3) . . ?
C9H2 C9G2 C9L2 120.0 . . ?
C9H2 C9G2 P9 119(2) . . ?
C9L2 C9G2 P9 121(2) . . ?
C9G2 C9H2 C9I2 120.0 . . ?
C9H2 C9I2 C9J2 120.0 . . ?
C9I2 C9J2 C9K2 120.0 . . ?
C9L2 C9K2 C9J2 120.0 . . ?
O9B C9L2 C9K2 120(3) . . ?
O9B C9L2 C9G2 119(3) . . ?
C9K2 C9L2 C9G2 120.0 . . ?
C9L2 O9B C9M2 122(4) . . ?
C10V C9N2 P9 130(3) . . ?
C10B C10A C10F 120.0 . . ?
C10B C10A P10 117.5(12) . . ?
C10F C10A P10 122.5(12) . . ?
C10A C10B C10C 120.0 . . ?
C10B C10C C10D 120.0 . . ?
C10E C10D C10C 120.0 . . ?
C10F C10E C10D 120.0 . . ?
C10E C10F C10A 120.0 . . ?
C10H C10G C10L 120.0 . . ?
C10H C10G P10 114(3) . . ?
C10L C10G P10 126(3) . . ?
C10G C10H C10I 120.0 . . ?
C10H C10I C10J 120.0 . . ?
C10K C10J C10I 120.0 . . ?
C10J C10K C10L 120.0 . . ?
O10 C10L C10K 130(3) . . ?
O10 C10L C10G 110(3) . . ?
C10K C10L C10G 120.0 . . ?
C10L O10 C10M 113(4) . . ?
C9N C10N P10 109(3) . . ?
C10P C10O C10T 120.0 . . ?
C10P C10O P10 115(3) . . ?
C10T C10O P10 125(3) . . ?
C10O C10P C10Q 120.0 . . ?
C10R C10Q C10P 120.0 . . ?
C10Q C10R C10S 120.0 . . ?
C10T C10S C10R 120.0 . . ?
C10S C10T C10O 120.0 . . ?
C10S C10T O10B 122(3) . . ?
C10O C10T O10B 117(3) . . ?
C10T O10B C10U 113(4) . . ?
C9N2 C10V P10 121(3) . . ?
C22 O20 C21 108(4) . . ?
O20 C22 C26 125(5) . . ?
O20 C22 C23 103(4) . . ?
C26 C22 C23 107(2) . . ?
C24 C23 C22 106(2) . . ?
C25 C24 C23 108(2) . . ?
C24 C25 C26 105(2) . . ?
C22 C26 C25 107(3) . . ?

_refine_diff_density_max         1.867
_refine_diff_density_min         -2.112
_refine_diff_density_rms         0.180





