# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

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

data_487
_database_code_depnum_ccdc_archive 'CCDC 2265012'
loop_
_audit_author_name
_audit_author_address
'Irina Bagryanskaya'
;Institute of Organic Chemistry, Novosibirsk
Russia
;
_audit_update_record             
;
2023-05-24 deposited with the CCDC.	2025-06-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        
'Complex gold(I) hexafluorophosphate with  1,2-bis[bis(pyridin-2-ylmethyl)phosphino]ethane'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C52 H56 Au2 N8 P4, 2(F6 P)'
_chemical_formula_sum            'C52 H56 Au2 F12 N8 P6'
_chemical_formula_weight         1600.80

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'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   26.3706(11)
_cell_length_b                   11.0301(4)
_cell_length_c                   21.6082(10)
_cell_angle_alpha                90
_cell_angle_beta                 111.895(2)
_cell_angle_gamma                90
_cell_volume                     5831.8(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9488
_cell_measurement_theta_min      2.47
_cell_measurement_theta_max      28.74

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_F_000             3120
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    5.272
_shelx_estimated_absorpt_T_min   0.227
_shelx_estimated_absorpt_T_max   0.778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6977
_exptl_absorpt_correction_T_max  0.9281
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            105340
_diffrn_reflns_av_unetI/netI     0.0467
_diffrn_reflns_av_R_equivalents  0.0710
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.092
_diffrn_reflns_theta_max         30.105
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             17133
_reflns_number_gt                13209
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0293P)²+5.3120P] 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_number_reflns         17133
_refine_ls_number_parameters     721
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0330
_refine_ls_wR_factor_ref         0.0786
_refine_ls_wR_factor_gt          0.0708
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.008
_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 0.31815(2) 0.23892(2) 0.39680(2) 0.03171(4) Uani 1 1 d . . . . .
Au2 Au 0.21385(2) 0.11263(2) 0.37090(2) 0.03429(4) Uani 1 1 d . . . . .
P1 P 0.34038(4) 0.10477(8) 0.32909(5) 0.03329(19) Uani 1 1 d . . . . .
P2 P 0.25591(4) -0.07383(8) 0.40238(5) 0.03335(19) Uani 1 1 d . . . . .
P3 P 0.16907(4) 0.29687(8) 0.34478(5) 0.0363(2) Uani 1 1 d . . . . .
P4 P 0.30496(4) 0.38023(7) 0.46681(5) 0.03389(19) Uani 1 1 d . . . . .
P5 P 0.61360(6) 0.31673(10) 0.32616(7) 0.0627(3) Uani 1 1 d . . . . .
P6 P -0.06790(5) 0.80007(13) -0.00428(6) 0.0596(3) Uani 1 1 d . . . . .
F1 F 0.6017(3) 0.3623(4) 0.2539(2) 0.152(2) Uani 1 1 d . . . . .
F2 F 0.65601(19) 0.2262(4) 0.3181(3) 0.1310(17) Uani 1 1 d . . . . .
F3 F 0.65908(18) 0.4178(3) 0.3568(2) 0.1141(14) Uani 1 1 d . . . . .
F4 F 0.62582(18) 0.2676(3) 0.39893(18) 0.1021(12) Uani 1 1 d . . . . .
F5 F 0.57045(18) 0.4042(3) 0.3360(3) 0.1222(15) Uani 1 1 d . . . . .
F6 F 0.56782(15) 0.2163(3) 0.29706(17) 0.0888(10) Uani 1 1 d . . . . .
F7 F -0.0206(2) 0.8612(6) -0.0159(3) 0.165(2) Uani 1 1 d . . . . .
F8 F -0.10339(18) 0.8047(5) -0.0807(2) 0.1422(18) Uani 1 1 d . . . . .
F9 F -0.11540(19) 0.7295(4) 0.0089(2) 0.1291(16) Uani 1 1 d . . . . .
F10 F -0.0875(3) 0.9124(4) 0.0174(4) 0.217(4) Uani 1 1 d . . . . .
F11 F -0.0475(3) 0.6759(5) -0.0217(3) 0.179(2) Uani 1 1 d . . . . .
F12 F -0.03253(19) 0.7802(6) 0.0698(2) 0.168(2) Uani 1 1 d . . . . .
C4' C 0.34291(15) -0.0545(3) 0.3552(2) 0.0410(8) Uani 1 1 d . . . . .
H1 H 0.318058 -0.100836 0.318115 0.049 Uiso 1 1 calc R U . . .
H48 H 0.379484 -0.085071 0.364309 0.049 Uiso 1 1 calc R U . . .
N2 N 0.35272(15) 0.5992(3) 0.39544(17) 0.0465(8) Uani 1 1 d . . . . .
C8' C 0.25378(17) -0.1287(4) 0.4811(2) 0.0460(9) Uani 1 1 d . . . . .
H41 H 0.275115 -0.202584 0.493672 0.055 Uiso 1 1 calc R U . . .
H46 H 0.270659 -0.068807 0.515498 0.055 Uiso 1 1 calc R U . . .
N4 N 0.18085(18) -0.2688(3) 0.4687(2) 0.0608(10) Uani 1 1 d . . . . .
N5 N 0.43473(14) 0.1234(3) 0.44750(19) 0.0494(8) Uani 1 1 d . . . . .
N6 N 0.31418(16) 0.3145(3) 0.2369(2) 0.0601(10) Uani 1 1 d . . . . .
C1 C 0.32836(15) -0.0786(3) 0.4168(2) 0.0396(8) Uani 1 1 d . . . . .
H47 H 0.347044 -0.019013 0.450686 0.048 Uiso 1 1 calc R U . . .
H2 H 0.342403 -0.157744 0.434561 0.048 Uiso 1 1 calc R U . . .
C2 C 0.22560(17) -0.1968(3) 0.3433(2) 0.0461(9) Uani 1 1 d . . . . .
H8 H 0.252044 -0.262005 0.352304 0.055 Uiso 1 1 calc R U . . .
H9 H 0.194220 -0.227816 0.351453 0.055 Uiso 1 1 calc R U . . .
C3 C 0.20766(15) -0.1631(3) 0.2712(2) 0.0419(8) Uani 1 1 d . . . . .
N1 N 0.17234(18) -0.0702(4) 0.2501(2) 0.0733(12) Uani 1 1 d . . . . .
C5 C 0.1538(2) -0.0427(6) 0.1852(4) 0.0840(18) Uani 1 1 d . . . . .
H4 H 0.128472 0.019605 0.169678 0.101 Uiso 1 1 calc R U . . .
C6 C 0.1701(3) -0.1010(6) 0.1415(3) 0.104(3) Uani 1 1 d . . . . .
H5 H 0.156659 -0.079799 0.096626 0.125 Uiso 1 1 calc R U . . .
C7 C 0.2068(4) -0.1916(6) 0.1648(4) 0.119(3) Uani 1 1 d . . . . .
H7 H 0.217965 -0.234528 0.135024 0.143 Uiso 1 1 calc R U . . .
C8 C 0.2280(3) -0.2218(5) 0.2309(3) 0.0739(16) Uani 1 1 d . . . . .
H6 H 0.255164 -0.280257 0.247226 0.089 Uiso 1 1 calc R U . . .
C9 C 0.18873(16) 0.4101(3) 0.4109(2) 0.0438(9) Uani 1 1 d . . . . .
H25 H 0.160687 0.472269 0.398456 0.053 Uiso 1 1 calc R U . . .
H26 H 0.188069 0.371394 0.450904 0.053 Uiso 1 1 calc R U . . .
C10 C 0.24424(16) 0.4739(3) 0.4293(2) 0.0435(9) Uani 1 1 d . . . . .
H24 H 0.245815 0.539195 0.460029 0.052 Uiso 1 1 calc R U . . .
H10 H 0.245737 0.510350 0.389198 0.052 Uiso 1 1 calc R U . . .
C11 C 0.29949(18) 0.3205(3) 0.5432(2) 0.0455(9) Uani 1 1 d . . . . .
H12 H 0.297228 0.388075 0.570758 0.055 Uiso 1 1 calc R U . . .
H11 H 0.265793 0.274683 0.531278 0.055 Uiso 1 1 calc R U . . .
C12 C 0.34647(18) 0.2402(3) 0.5835(2) 0.0444(9) Uani 1 1 d . . . . .
N3 N 0.34205(16) 0.1233(3) 0.56616(19) 0.0543(9) Uani 1 1 d . . . . .
C14 C 0.3819(2) 0.0493(4) 0.6038(3) 0.0664(13) Uani 1 1 d . . . . .
H17 H 0.378875 -0.032719 0.593101 0.080 Uiso 1 1 calc R U . . .
C15 C 0.4265(2) 0.0863(5) 0.6568(3) 0.0694(14) Uani 1 1 d . . . . .
H16 H 0.452949 0.030948 0.681377 0.083 Uiso 1 1 calc R U . . .
C16 C 0.4314(2) 0.2083(5) 0.6732(2) 0.0690(14) Uani 1 1 d . . . . .
H14 H 0.461596 0.236769 0.708674 0.083 Uiso 1 1 calc R U . . .
C17 C 0.3908(2) 0.2866(4) 0.6360(2) 0.0597(12) Uani 1 1 d . . . . .
H15 H 0.393046 0.369031 0.645789 0.072 Uiso 1 1 calc R U . . .
C18 C 0.36213(17) 0.4880(3) 0.4955(2) 0.0459(9) Uani 1 1 d . . . . .
H19 H 0.350432 0.561336 0.511099 0.055 Uiso 1 1 calc R U . . .
H18 H 0.391856 0.452919 0.532734 0.055 Uiso 1 1 calc R U . . .
C19 C 0.38232(15) 0.5197(3) 0.44099(18) 0.0374(8) Uani 1 1 d . . . . .
C20 C 0.42940(18) 0.4677(4) 0.4387(2) 0.0531(11) Uani 1 1 d . . . . .
H20 H 0.449456 0.412869 0.471333 0.064 Uiso 1 1 calc R U . . .
C21 C 0.4463(2) 0.4984(4) 0.3873(3) 0.0637(13) Uani 1 1 d . . . . .
H21 H 0.477755 0.464690 0.384725 0.076 Uiso 1 1 calc R U . . .
C22 C 0.4159(2) 0.5786(4) 0.3407(2) 0.0587(12) Uani 1 1 d . . . . .
H23 H 0.426150 0.600952 0.305553 0.070 Uiso 1 1 calc R U . . .
C23 C 0.3698(2) 0.6261(4) 0.3463(2) 0.0550(11) Uani 1 1 d . . . . .
H22 H 0.349160 0.680503 0.313836 0.066 Uiso 1 1 calc R U . . .
C24 C 0.17502(18) 0.3650(4) 0.2712(2) 0.0478(9) Uani 1 1 d . . . . .
H33 H 0.212170 0.394053 0.283046 0.057 Uiso 1 1 calc R U . . .
H32 H 0.169120 0.302178 0.237784 0.057 Uiso 1 1 calc R U . . .
C25 C 0.13634(17) 0.4688(4) 0.2399(2) 0.0511(10) Uani 1 1 d . . . . .
N7 N 0.13584(17) 0.5604(3) 0.2801(2) 0.0658(11) Uani 1 1 d . . . . .
C27 C 0.1011(2) 0.6510(4) 0.2528(3) 0.0808(18) Uani 1 1 d . . . . .
H30 H 0.099004 0.713784 0.280498 0.097 Uiso 1 1 calc R U . . .
C28 C 0.0686(2) 0.6575(5) 0.1874(4) 0.0867(19) Uani 1 1 d . . . . .
H27 H 0.046445 0.724704 0.170581 0.104 Uiso 1 1 calc R U . . .
C29 C 0.0692(3) 0.5642(6) 0.1471(3) 0.093(2) Uani 1 1 d . . . . .
H28 H 0.046924 0.565928 0.102127 0.111 Uiso 1 1 calc R U . . .
C30 C 0.1033(2) 0.4656(5) 0.1734(3) 0.0762(15) Uani 1 1 d . . . . .
H29 H 0.103673 0.399526 0.146877 0.091 Uiso 1 1 calc R U . . .
C31 C 0.09636(16) 0.2819(4) 0.3278(2) 0.0488(10) Uani 1 1 d . . . . .
H40 H 0.091411 0.272060 0.369761 0.059 Uiso 1 1 calc R U . . .
H34 H 0.078171 0.356340 0.307400 0.059 Uiso 1 1 calc R U . . .
C32 C 0.06918(15) 0.1772(4) 0.2828(2) 0.0477(10) Uani 1 1 d . . . . .
N8 N 0.0526(2) 0.1977(5) 0.2178(2) 0.0835(13) Uani 1 1 d . . . . .
C34 C 0.0277(3) 0.1039(8) 0.1767(4) 0.103(2) Uani 1 1 d . . . . .
H36 H 0.016957 0.114645 0.130887 0.124 Uiso 1 1 calc R U . . .
C35 C 0.0181(3) -0.0026(8) 0.1993(5) 0.107(3) Uani 1 1 d . . . . .
H39 H -0.000277 -0.063386 0.169597 0.129 Uiso 1 1 calc R U . . .
C36 C 0.0353(3) -0.0219(6) 0.2663(5) 0.103(2) Uani 1 1 d . . . . .
H37 H 0.029093 -0.095928 0.282849 0.124 Uiso 1 1 calc R U . . .
C37 C 0.0621(2) 0.0699(5) 0.3088(3) 0.0733(14) Uani 1 1 d . . . . .
H38 H 0.075062 0.058512 0.354776 0.088 Uiso 1 1 calc R U . . .
C38 C 0.19694(17) -0.1536(3) 0.47798(19) 0.0420(8) Uani 1 1 d . . . . .
C39 C 0.1301(3) -0.2927(5) 0.4647(3) 0.0787(17) Uani 1 1 d . . . . .
H42 H 0.118107 -0.372685 0.457639 0.094 Uiso 1 1 calc R U . . .
C40 C 0.0946(2) -0.2067(6) 0.4702(3) 0.0819(17) Uani 1 1 d . . . . .
H43 H 0.059697 -0.227783 0.467510 0.098 Uiso 1 1 calc R U . . .
C41 C 0.1119(2) -0.0896(6) 0.4797(3) 0.0792(16) Uani 1 1 d . . . . .
H44 H 0.088882 -0.028943 0.483962 0.095 Uiso 1 1 calc R U . . .
C42 C 0.1638(2) -0.0617(4) 0.4831(2) 0.0596(12) Uani 1 1 d . . . . .
H45 H 0.176052 0.018050 0.488781 0.071 Uiso 1 1 calc R U . . .
C43 C 0.40829(15) 0.1347(4) 0.3284(2) 0.0432(9) Uani 1 1 d . . . . .
H54 H 0.418817 0.068177 0.306323 0.052 Uiso 1 1 calc R U . . .
H49 H 0.407007 0.207875 0.302901 0.052 Uiso 1 1 calc R U . . .
C44 C 0.45015(14) 0.1495(3) 0.3968(2) 0.0390(8) Uani 1 1 d . . . . .
C45 C 0.50214(17) 0.1930(4) 0.4080(3) 0.0553(11) Uani 1 1 d . . . . .
H53 H 0.512725 0.208692 0.372293 0.066 Uiso 1 1 calc R U . . .
C46 C 0.53772(19) 0.2129(4) 0.4718(3) 0.0682(15) Uani 1 1 d . . . . .
H50 H 0.572586 0.242727 0.479856 0.082 Uiso 1 1 calc R U . . .
C47 C 0.5218(2) 0.1886(4) 0.5233(3) 0.0678(15) Uani 1 1 d . . . . .
H51 H 0.545270 0.203137 0.566949 0.081 Uiso 1 1 calc R U . . .
C48 C 0.47048(19) 0.1425(4) 0.5102(2) 0.0584(11) Uani 1 1 d . . . . .
H52 H 0.460066 0.123738 0.545692 0.070 Uiso 1 1 calc R U . . .
C49 C 0.29455(17) 0.1020(3) 0.2413(2) 0.0453(9) Uani 1 1 d . . . . .
H55 H 0.311878 0.056175 0.216284 0.054 Uiso 1 1 calc R U . . .
H60 H 0.261315 0.059642 0.237632 0.054 Uiso 1 1 calc R U . . .
C50 C 0.27967(16) 0.2240(4) 0.21029(19) 0.0415(8) Uani 1 1 d . . . . .
C51 C 0.3010(2) 0.4241(5) 0.2088(3) 0.0719(15) Uani 1 1 d . . . . .
H56 H 0.325208 0.487669 0.226835 0.086 Uiso 1 1 calc R U . . .
C52 C 0.2545(2) 0.4479(5) 0.1554(3) 0.0682(13) Uani 1 1 d . . . . .
H59 H 0.247031 0.525827 0.137873 0.082 Uiso 1 1 calc R U . . .
C53 C 0.2188(2) 0.3538(5) 0.1279(3) 0.0651(13) Uani 1 1 d . . . . .
H57 H 0.186632 0.366940 0.091353 0.078 Uiso 1 1 calc R U . . .
C54 C 0.23152(18) 0.2402(4) 0.1556(2) 0.0535(11) Uani 1 1 d . . . . .
H58 H 0.208154 0.175167 0.137917 0.064 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 P4 2.2873(9) . ?
Au1 P1 2.3050(9) . ?
Au1 Au2 2.9447(2) . ?
Au2 P3 2.3120(9) . ?
Au2 P2 2.3152(9) . ?
P1 C43 1.827(4) . ?
P1 C49 1.830(4) . ?
P1 C4' 1.839(4) . ?
P2 C1 1.818(4) . ?
P2 C8' 1.825(4) . ?
P2 C2 1.829(4) . ?
P3 C24 1.818(4) . ?
P3 C31 1.820(4) . ?
P3 C9 1.822(4) . ?
P4 C10 1.822(4) . ?
P4 C11 1.831(4) . ?
P4 C18 1.837(4) . ?
P5 F2 1.556(4) . ?
P5 F1 1.556(4) . ?
P5 F5 1.566(4) . ?
P5 F4 1.579(4) . ?
P5 F6 1.585(3) . ?
P5 F3 1.590(3) . ?
P6 F10 1.484(4) . ?
P6 F7 1.519(4) . ?
P6 F12 1.538(4) . ?
P6 F8 1.566(4) . ?
P6 F11 1.569(5) . ?
P6 F9 1.588(4) . ?
C4' C1 1.540(5) . ?
C4' H1 0.9700 . ?
C4' H48 0.9700 . ?
N2 C19 1.332(5) . ?
N2 C23 1.332(6) . ?
C8' C38 1.501(6) . ?
C8' H41 0.9700 . ?
C8' H46 0.9700 . ?
N4 C38 1.331(5) . ?
N4 C39 1.335(7) . ?
N5 C44 1.335(5) . ?
N5 C48 1.347(6) . ?
N6 C50 1.328(5) . ?
N6 C51 1.339(6) . ?
C1 H47 0.9700 . ?
C1 H2 0.9700 . ?
C2 C3 1.498(6) . ?
C2 H8 0.9700 . ?
C2 H9 0.9700 . ?
C3 C8 1.347(6) . ?
C3 N1 1.345(5) . ?
N1 C5 1.337(8) . ?
C5 C6 1.338(10) . ?
C5 H4 0.9300 . ?
C6 C7 1.351(10) . ?
C6 H5 0.9300 . ?
C7 C8 1.367(9) . ?
C7 H7 0.9300 . ?
C8 H6 0.9300 . ?
C9 C10 1.537(5) . ?
C9 H25 0.9700 . ?
C9 H26 0.9700 . ?
C10 H24 0.9700 . ?
C10 H10 0.9700 . ?
C11 C12 1.508(6) . ?
C11 H12 0.9700 . ?
C11 H11 0.9700 . ?
C12 N3 1.336(5) . ?
C12 C17 1.387(6) . ?
N3 C14 1.339(6) . ?
C14 C15 1.362(7) . ?
C14 H17 0.9300 . ?
C15 C16 1.385(7) . ?
C15 H16 0.9300 . ?
C16 C17 1.378(7) . ?
C16 H14 0.9300 . ?
C17 H15 0.9300 . ?
C18 C19 1.503(5) . ?
C18 H19 0.9700 . ?
C18 H18 0.9700 . ?
C19 C20 1.385(6) . ?
C20 C21 1.384(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.354(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.370(7) . ?
C22 H23 0.9300 . ?
C23 H22 0.9300 . ?
C24 C25 1.515(6) . ?
C24 H33 0.9700 . ?
C24 H32 0.9700 . ?
C25 N7 1.336(6) . ?
C25 C30 1.376(7) . ?
N7 C27 1.336(6) . ?
C27 C28 1.353(8) . ?
C27 H30 0.9300 . ?
C28 C29 1.352(9) . ?
C28 H27 0.9300 . ?
C29 C30 1.390(8) . ?
C29 H28 0.9300 . ?
C30 H29 0.9300 . ?
C31 C32 1.507(6) . ?
C31 H40 0.9700 . ?
C31 H34 0.9700 . ?
C32 N8 1.325(6) . ?
C32 C37 1.354(6) . ?
N8 C34 1.362(8) . ?
C34 C35 1.333(10) . ?
C34 H36 0.9300 . ?
C35 C36 1.361(10) . ?
C35 H39 0.9300 . ?
C36 C37 1.373(9) . ?
C36 H37 0.9300 . ?
C37 H38 0.9300 . ?
C38 C42 1.370(6) . ?
C39 C40 1.369(8) . ?
C39 H42 0.9300 . ?
C40 C41 1.359(8) . ?
C40 H43 0.9300 . ?
C41 C42 1.378(7) . ?
C41 H44 0.9300 . ?
C42 H45 0.9300 . ?
C43 C44 1.488(5) . ?
C43 H54 0.9700 . ?
C43 H49 0.9700 . ?
C44 C45 1.386(5) . ?
C45 C46 1.365(7) . ?
C45 H53 0.9300 . ?
C46 C47 1.354(8) . ?
C46 H50 0.9300 . ?
C47 C48 1.372(7) . ?
C47 H51 0.9300 . ?
C48 H52 0.9300 . ?
C49 C50 1.490(5) . ?
C49 H55 0.9700 . ?
C49 H60 0.9700 . ?
C50 C54 1.386(6) . ?
C51 C52 1.360(7) . ?
C51 H56 0.9300 . ?
C52 C53 1.379(7) . ?
C52 H59 0.9300 . ?
C53 C54 1.375(6) . ?
C53 H57 0.9300 . ?
C54 H58 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P4 Au1 P1 174.08(3) . . ?
P4 Au1 Au2 94.95(2) . . ?
P1 Au1 Au2 90.93(2) . . ?
P3 Au2 P2 176.06(3) . . ?
P3 Au2 Au1 89.22(2) . . ?
P2 Au2 Au1 93.05(2) . . ?
C43 P1 C49 105.34(19) . . ?
C43 P1 C4' 104.59(18) . . ?
C49 P1 C4' 103.67(18) . . ?
C43 P1 Au1 111.81(13) . . ?
C49 P1 Au1 116.27(13) . . ?
C4' P1 Au1 114.04(13) . . ?
C1 P2 C8' 103.07(18) . . ?
C1 P2 C2 104.85(19) . . ?
C8' P2 C2 104.28(19) . . ?
C1 P2 Au2 115.70(12) . . ?
C8' P2 Au2 112.98(14) . . ?
C2 P2 Au2 114.63(14) . . ?
C24 P3 C31 106.8(2) . . ?
C24 P3 C9 108.1(2) . . ?
C31 P3 C9 101.01(19) . . ?
C24 P3 Au2 111.96(13) . . ?
C31 P3 Au2 111.91(14) . . ?
C9 P3 Au2 116.18(13) . . ?
C10 P4 C11 104.65(19) . . ?
C10 P4 C18 104.95(18) . . ?
C11 P4 C18 105.02(19) . . ?
C10 P4 Au1 114.67(13) . . ?
C11 P4 Au1 115.68(13) . . ?
C18 P4 Au1 110.86(14) . . ?
F2 P5 F1 88.8(3) . . ?
F2 P5 F5 177.9(3) . . ?
F1 P5 F5 93.0(3) . . ?
F2 P5 F4 90.2(3) . . ?
F1 P5 F4 178.7(3) . . ?
F5 P5 F4 88.0(3) . . ?
F2 P5 F6 88.9(2) . . ?
F1 P5 F6 89.4(2) . . ?
F5 P5 F6 90.0(2) . . ?
F4 P5 F6 89.87(19) . . ?
F2 P5 F3 92.0(2) . . ?
F1 P5 F3 91.7(2) . . ?
F5 P5 F3 89.1(2) . . ?
F4 P5 F3 89.1(2) . . ?
F6 P5 F3 178.7(2) . . ?
F10 P6 F7 94.9(3) . . ?
F10 P6 F12 86.4(4) . . ?
F7 P6 F12 91.1(3) . . ?
F10 P6 F8 99.5(4) . . ?
F7 P6 F8 90.9(3) . . ?
F12 P6 F8 173.6(4) . . ?
F10 P6 F11 175.0(4) . . ?
F7 P6 F11 88.4(4) . . ?
F12 P6 F11 89.8(3) . . ?
F8 P6 F11 84.2(3) . . ?
F10 P6 F9 87.8(3) . . ?
F7 P6 F9 176.9(3) . . ?
F12 P6 F9 87.5(3) . . ?
F8 P6 F9 90.2(2) . . ?
F11 P6 F9 88.8(3) . . ?
C1 C4' P1 116.0(2) . . ?
C1 C4' H1 108.3 . . ?
P1 C4' H1 108.3 . . ?
C1 C4' H48 108.3 . . ?
P1 C4' H48 108.3 . . ?
H1 C4' H48 107.4 . . ?
C19 N2 C23 117.1(4) . . ?
C38 C8' P2 113.4(3) . . ?
C38 C8' H41 108.9 . . ?
P2 C8' H41 108.9 . . ?
C38 C8' H46 108.9 . . ?
P2 C8' H46 108.9 . . ?
H41 C8' H46 107.7 . . ?
C38 N4 C39 117.0(4) . . ?
C44 N5 C48 118.6(4) . . ?
C50 N6 C51 117.5(4) . . ?
C4' C1 P2 115.6(3) . . ?
C4' C1 H47 108.4 . . ?
P2 C1 H47 108.4 . . ?
C4' C1 H2 108.4 . . ?
P2 C1 H2 108.4 . . ?
H47 C1 H2 107.5 . . ?
C3 C2 P2 115.4(3) . . ?
C3 C2 H8 108.4 . . ?
P2 C2 H8 108.4 . . ?
C3 C2 H9 108.4 . . ?
P2 C2 H9 108.4 . . ?
H8 C2 H9 107.5 . . ?
C8 C3 N1 122.7(4) . . ?
C8 C3 C2 120.5(4) . . ?
N1 C3 C2 116.8(4) . . ?
C5 N1 C3 117.6(5) . . ?
C6 C5 N1 122.9(6) . . ?
C6 C5 H4 118.5 . . ?
N1 C5 H4 118.5 . . ?
C5 C6 C7 117.8(6) . . ?
C5 C6 H5 121.1 . . ?
C7 C6 H5 121.1 . . ?
C6 C7 C8 121.8(6) . . ?
C6 C7 H7 119.1 . . ?
C8 C7 H7 119.1 . . ?
C3 C8 C7 116.9(5) . . ?
C3 C8 H6 121.5 . . ?
C7 C8 H6 121.5 . . ?
C10 C9 P3 118.8(3) . . ?
C10 C9 H25 107.6 . . ?
P3 C9 H25 107.6 . . ?
C10 C9 H26 107.6 . . ?
P3 C9 H26 107.6 . . ?
H25 C9 H26 107.0 . . ?
C9 C10 P4 116.8(2) . . ?
C9 C10 H24 108.1 . . ?
P4 C10 H24 108.1 . . ?
C9 C10 H10 108.1 . . ?
P4 C10 H10 108.1 . . ?
H24 C10 H10 107.3 . . ?
C12 C11 P4 114.1(3) . . ?
C12 C11 H12 108.7 . . ?
P4 C11 H12 108.7 . . ?
C12 C11 H11 108.7 . . ?
P4 C11 H11 108.7 . . ?
H12 C11 H11 107.6 . . ?
N3 C12 C17 123.0(4) . . ?
N3 C12 C11 115.9(4) . . ?
C17 C12 C11 121.1(4) . . ?
C12 N3 C14 116.8(4) . . ?
N3 C14 C15 124.3(5) . . ?
N3 C14 H17 117.8 . . ?
C15 C14 H17 117.8 . . ?
C14 C15 C16 118.3(5) . . ?
C14 C15 H16 120.8 . . ?
C16 C15 H16 120.8 . . ?
C17 C16 C15 118.8(5) . . ?
C17 C16 H14 120.6 . . ?
C15 C16 H14 120.6 . . ?
C16 C17 C12 118.7(4) . . ?
C16 C17 H15 120.7 . . ?
C12 C17 H15 120.7 . . ?
C19 C18 P4 111.8(3) . . ?
C19 C18 H19 109.3 . . ?
P4 C18 H19 109.3 . . ?
C19 C18 H18 109.3 . . ?
P4 C18 H18 109.3 . . ?
H19 C18 H18 107.9 . . ?
N2 C19 C20 122.1(4) . . ?
N2 C19 C18 116.8(4) . . ?
C20 C19 C18 121.1(4) . . ?
C21 C20 C19 119.2(4) . . ?
C21 C20 H20 120.4 . . ?
C19 C20 H20 120.4 . . ?
C22 C21 C20 118.5(4) . . ?
C22 C21 H21 120.7 . . ?
C20 C21 H21 120.7 . . ?
C21 C22 C23 118.8(4) . . ?
C21 C22 H23 120.6 . . ?
C23 C22 H23 120.6 . . ?
N2 C23 C22 124.1(4) . . ?
N2 C23 H22 118.0 . . ?
C22 C23 H22 118.0 . . ?
C25 C24 P3 116.0(3) . . ?
C25 C24 H33 108.3 . . ?
P3 C24 H33 108.3 . . ?
C25 C24 H32 108.3 . . ?
P3 C24 H32 108.3 . . ?
H33 C24 H32 107.4 . . ?
N7 C25 C30 122.9(4) . . ?
N7 C25 C24 116.8(4) . . ?
C30 C25 C24 120.4(4) . . ?
C27 N7 C25 116.8(5) . . ?
N7 C27 C28 124.3(6) . . ?
N7 C27 H30 117.9 . . ?
C28 C27 H30 117.9 . . ?
C29 C28 C27 118.5(5) . . ?
C29 C28 H27 120.7 . . ?
C27 C28 H27 120.7 . . ?
C28 C29 C30 119.6(6) . . ?
C28 C29 H28 120.2 . . ?
C30 C29 H28 120.2 . . ?
C25 C30 C29 117.9(6) . . ?
C25 C30 H29 121.0 . . ?
C29 C30 H29 121.0 . . ?
C32 C31 P3 114.3(3) . . ?
C32 C31 H40 108.7 . . ?
P3 C31 H40 108.7 . . ?
C32 C31 H34 108.7 . . ?
P3 C31 H34 108.7 . . ?
H40 C31 H34 107.6 . . ?
N8 C32 C37 123.2(5) . . ?
N8 C32 C31 116.3(4) . . ?
C37 C32 C31 120.5(5) . . ?
C32 N8 C34 116.8(5) . . ?
N8 C34 C35 122.8(7) . . ?
N8 C34 H36 118.6 . . ?
C35 C34 H36 118.6 . . ?
C34 C35 C36 119.6(6) . . ?
C34 C35 H39 120.2 . . ?
C36 C35 H39 120.2 . . ?
C35 C36 C37 118.7(6) . . ?
C35 C36 H37 120.6 . . ?
C37 C36 H37 120.6 . . ?
C32 C37 C36 118.9(6) . . ?
C32 C37 H38 120.6 . . ?
C36 C37 H38 120.6 . . ?
N4 C38 C42 122.8(4) . . ?
N4 C38 C8' 116.0(4) . . ?
C42 C38 C8' 121.2(4) . . ?
N4 C39 C40 124.0(5) . . ?
N4 C39 H42 118.0 . . ?
C40 C39 H42 118.0 . . ?
C41 C40 C39 118.1(5) . . ?
C41 C40 H43 121.0 . . ?
C39 C40 H43 121.0 . . ?
C40 C41 C42 119.3(5) . . ?
C40 C41 H44 120.3 . . ?
C42 C41 H44 120.3 . . ?
C38 C42 C41 118.8(5) . . ?
C38 C42 H45 120.6 . . ?
C41 C42 H45 120.6 . . ?
C44 C43 P1 112.2(3) . . ?
C44 C43 H54 109.2 . . ?
P1 C43 H54 109.2 . . ?
C44 C43 H49 109.2 . . ?
P1 C43 H49 109.2 . . ?
H54 C43 H49 107.9 . . ?
N5 C44 C45 121.0(4) . . ?
N5 C44 C43 116.9(3) . . ?
C45 C44 C43 122.1(4) . . ?
C46 C45 C44 119.7(5) . . ?
C46 C45 H53 120.2 . . ?
C44 C45 H53 120.2 . . ?
C47 C46 C45 119.4(4) . . ?
C47 C46 H50 120.3 . . ?
C45 C46 H50 120.3 . . ?
C46 C47 C48 119.2(5) . . ?
C46 C47 H51 120.4 . . ?
C48 C47 H51 120.4 . . ?
N5 C48 C47 122.1(5) . . ?
N5 C48 H52 118.9 . . ?
C47 C48 H52 118.9 . . ?
C50 C49 P1 114.4(3) . . ?
C50 C49 H55 108.7 . . ?
P1 C49 H55 108.7 . . ?
C50 C49 H60 108.7 . . ?
P1 C49 H60 108.7 . . ?
H55 C49 H60 107.6 . . ?
N6 C50 C54 122.3(4) . . ?
N6 C50 C49 117.4(4) . . ?
C54 C50 C49 120.2(4) . . ?
N6 C51 C52 124.0(5) . . ?
N6 C51 H56 118.0 . . ?
C52 C51 H56 118.0 . . ?
C51 C52 C53 118.4(5) . . ?
C51 C52 H59 120.8 . . ?
C53 C52 H59 120.8 . . ?
C54 C53 C52 118.8(5) . . ?
C54 C53 H57 120.6 . . ?
C52 C53 H57 120.6 . . ?
C53 C54 C50 119.0(4) . . ?
C53 C54 H58 120.5 . . ?
C50 C54 H58 120.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C43 P1 C4' C1 124.2(3) . . . . ?
C49 P1 C4' C1 -125.6(3) . . . . ?
Au1 P1 C4' C1 1.8(3) . . . . ?
C1 P2 C8' C38 -170.1(3) . . . . ?
C2 P2 C8' C38 -60.8(3) . . . . ?
Au2 P2 C8' C38 64.3(3) . . . . ?
P1 C4' C1 P2 76.9(3) . . . . ?
C8' P2 C1 C4' 171.5(3) . . . . ?
C2 P2 C1 C4' 62.6(3) . . . . ?
Au2 P2 C1 C4' -64.7(3) . . . . ?
C1 P2 C2 C3 -88.7(3) . . . . ?
C8' P2 C2 C3 163.3(3) . . . . ?
Au2 P2 C2 C3 39.3(4) . . . . ?
P2 C2 C3 C8 122.2(4) . . . . ?
P2 C2 C3 N1 -55.6(5) . . . . ?
C8 C3 N1 C5 5.5(7) . . . . ?
C2 C3 N1 C5 -176.8(4) . . . . ?
C3 N1 C5 C6 -2.0(9) . . . . ?
N1 C5 C6 C7 0.2(11) . . . . ?
C5 C6 C7 C8 -1.6(12) . . . . ?
N1 C3 C8 C7 -6.7(9) . . . . ?
C2 C3 C8 C7 175.6(5) . . . . ?
C6 C7 C8 C3 4.7(11) . . . . ?
C24 P3 C9 C10 -53.4(3) . . . . ?
C31 P3 C9 C10 -165.3(3) . . . . ?
Au2 P3 C9 C10 73.4(3) . . . . ?
P3 C9 C10 P4 -66.6(4) . . . . ?
C11 P4 C10 C9 -59.9(3) . . . . ?
C18 P4 C10 C9 -170.3(3) . . . . ?
Au1 P4 C10 C9 67.9(3) . . . . ?
C10 P4 C11 C12 -179.3(3) . . . . ?
C18 P4 C11 C12 -69.1(3) . . . . ?
Au1 P4 C11 C12 53.5(3) . . . . ?
P4 C11 C12 N3 -86.0(4) . . . . ?
P4 C11 C12 C17 94.9(4) . . . . ?
C17 C12 N3 C14 2.8(7) . . . . ?
C11 C12 N3 C14 -176.3(4) . . . . ?
C12 N3 C14 C15 -1.7(8) . . . . ?
N3 C14 C15 C16 -0.1(9) . . . . ?
C14 C15 C16 C17 0.9(8) . . . . ?
C15 C16 C17 C12 0.1(8) . . . . ?
N3 C12 C17 C16 -2.0(7) . . . . ?
C11 C12 C17 C16 177.0(4) . . . . ?
C10 P4 C18 C19 -85.7(3) . . . . ?
C11 P4 C18 C19 164.2(3) . . . . ?
Au1 P4 C18 C19 38.6(3) . . . . ?
C23 N2 C19 C20 1.0(6) . . . . ?
C23 N2 C19 C18 -178.8(3) . . . . ?
P4 C18 C19 N2 78.0(4) . . . . ?
P4 C18 C19 C20 -101.8(4) . . . . ?
N2 C19 C20 C21 -0.5(6) . . . . ?
C18 C19 C20 C21 179.3(4) . . . . ?
C19 C20 C21 C22 0.0(7) . . . . ?
C20 C21 C22 C23 0.0(7) . . . . ?
C19 N2 C23 C22 -1.0(6) . . . . ?
C21 C22 C23 N2 0.5(7) . . . . ?
C31 P3 C24 C25 42.7(4) . . . . ?
C9 P3 C24 C25 -65.2(4) . . . . ?
Au2 P3 C24 C25 165.6(3) . . . . ?
P3 C24 C25 N7 53.3(5) . . . . ?
P3 C24 C25 C30 -125.8(4) . . . . ?
C30 C25 N7 C27 0.2(7) . . . . ?
C24 C25 N7 C27 -178.9(4) . . . . ?
C25 N7 C27 C28 -2.8(9) . . . . ?
N7 C27 C28 C29 3.2(10) . . . . ?
C27 C28 C29 C30 -0.8(10) . . . . ?
N7 C25 C30 C29 1.9(8) . . . . ?
C24 C25 C30 C29 -179.0(5) . . . . ?
C28 C29 C30 C25 -1.6(9) . . . . ?
C24 P3 C31 C32 77.3(4) . . . . ?
C9 P3 C31 C32 -169.7(3) . . . . ?
Au2 P3 C31 C32 -45.5(4) . . . . ?
P3 C31 C32 N8 -84.6(5) . . . . ?
P3 C31 C32 C37 96.2(5) . . . . ?
C37 C32 N8 C34 -0.6(8) . . . . ?
C31 C32 N8 C34 -179.7(5) . . . . ?
C32 N8 C34 C35 2.6(10) . . . . ?
N8 C34 C35 C36 -2.5(11) . . . . ?
C34 C35 C36 C37 0.3(11) . . . . ?
N8 C32 C37 C36 -1.5(8) . . . . ?
C31 C32 C37 C36 177.6(5) . . . . ?
C35 C36 C37 C32 1.6(10) . . . . ?
C39 N4 C38 C42 -0.2(7) . . . . ?
C39 N4 C38 C8' -178.9(4) . . . . ?
P2 C8' C38 N4 98.5(4) . . . . ?
P2 C8' C38 C42 -80.3(5) . . . . ?
C38 N4 C39 C40 -0.8(9) . . . . ?
N4 C39 C40 C41 0.7(10) . . . . ?
C39 C40 C41 C42 0.3(9) . . . . ?
N4 C38 C42 C41 1.2(7) . . . . ?
C8' C38 C42 C41 179.8(4) . . . . ?
C40 C41 C42 C38 -1.2(8) . . . . ?
C49 P1 C43 C44 175.5(3) . . . . ?
C4' P1 C43 C44 -75.5(3) . . . . ?
Au1 P1 C43 C44 48.4(3) . . . . ?
C48 N5 C44 C45 1.3(6) . . . . ?
C48 N5 C44 C43 -176.1(4) . . . . ?
P1 C43 C44 N5 8.7(4) . . . . ?
P1 C43 C44 C45 -168.7(3) . . . . ?
N5 C44 C45 C46 -1.8(6) . . . . ?
C43 C44 C45 C46 175.4(4) . . . . ?
C44 C45 C46 C47 0.5(7) . . . . ?
C45 C46 C47 C48 1.2(7) . . . . ?
C44 N5 C48 C47 0.6(6) . . . . ?
C46 C47 C48 N5 -1.9(7) . . . . ?
C43 P1 C49 C50 -78.1(3) . . . . ?
C4' P1 C49 C50 172.3(3) . . . . ?
Au1 P1 C49 C50 46.3(3) . . . . ?
C51 N6 C50 C54 -0.3(7) . . . . ?
C51 N6 C50 C49 179.5(4) . . . . ?
P1 C49 C50 N6 25.0(5) . . . . ?
P1 C49 C50 C54 -155.2(3) . . . . ?
C50 N6 C51 C52 0.7(8) . . . . ?
N6 C51 C52 C53 -0.6(9) . . . . ?
C51 C52 C53 C54 0.1(8) . . . . ?
C52 C53 C54 C50 0.3(7) . . . . ?
N6 C50 C54 C53 -0.2(7) . . . . ?
C49 C50 C54 C53 -180.0(4) . . . . ?

_refine_diff_density_max         1.016
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.112


####################################################################### 
# 
# 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_anb542-2
_database_code_depnum_ccdc_archive 'CCDC 2420291'
loop_
_audit_author_name
_audit_author_address
'Taisiya Sukhikh'
;NIIC SB RAS
Russia
;
_audit_update_record             
;
2025-01-29 deposited with the CCDC.	2025-06-16 downloaded from the CCDC.
;
_audit_creation_date             2023-09-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C52 H56 Ag4 Au2 N10 O6 P4, 4(N O3), 2(O H2)'
_chemical_formula_sum            'C52 H60 Ag4 Au2 N14 O20 P4'
_chemical_formula_weight         2150.43
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.345(13)
_cell_length_b                   18.847(14)
_cell_length_c                   20.584(16)
_cell_angle_alpha                89.015(18)
_cell_angle_beta                 88.86(2)
_cell_angle_gamma                89.472(17)
_cell_volume                     6339(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    842
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      18.10
_cell_measurement_theta_min      2.49
_shelx_estimated_absorpt_T_max   0.915
_shelx_estimated_absorpt_T_min   0.678
_exptl_absorpt_coefficient_mu    6.010
_exptl_absorpt_correction_T_max  0.7446
_exptl_absorpt_correction_T_min  0.3675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1271 before and 0.0832 after correction.
The Ratio of minimum to maximum transmission is 0.4936.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.253
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             4144
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.015
_exptl_crystal_size_min          0.015
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1932
_diffrn_reflns_av_unetI/netI     0.2067
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            21055
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        15.864
_diffrn_reflns_theta_max         15.864
_diffrn_reflns_theta_min         1.246
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Incoatec HELIOS multilayer mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3272
_reflns_number_total             6038
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.144
_refine_diff_density_min         -1.153
_refine_diff_density_rms         0.190
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     698
_refine_ls_number_reflns         6038
_refine_ls_number_restraints     23
_refine_ls_R_factor_all          0.1656
_refine_ls_R_factor_gt           0.0901
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+169.2616P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2093
_refine_ls_wR_factor_ref         0.2599
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 N20-O10 \\sim N20-O8 \\sim N20-O12
 with sigma of 0.02
 O20-N29 \\sim O16-N29 \\sim O18-N29
 with sigma of 0.02
 O10-O8 \\sim O8-O12 \\sim O12-O10
 with sigma of 0.04
 O20-O16 \\sim O16-O18 \\sim O18-O20
 with sigma of 0.04
 N24-O14 \\sim N24-O24 \\sim N24-O22
 with sigma of 0.02
 O14-O24 \\sim O24-O22 \\sim O22-O14
 with sigma of 0.04
3. Restrained planarity
 O8, O10, O12, N20
 with sigma of 0.1
 O14, O22, O24, N24
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
O8 \\sim O10 \\sim O12 \\sim N20: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
Uiso(O20) = Uiso(N29) = Uiso(O16) = Uiso(O18)
5. Rigid body (RIGU) restrains
 O8, O10, O12, N20
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Uiso: C4(0.06) C6(0.06) C7(0.06) C8(0.06) C9(0.06) C14(0.06) C15(0.06)
 C17(0.06) C20(0.06) C23(0.06) C25(0.06) C28(0.06) C30(0.06) C31(0.06)
 C36(0.06) C38(0.06) C39(0.06) C40(0.06) C41(0.06) C42(0.06) C43(0.06)
 C48(0.06) C52(0.06) C55(0.06) C57(0.06) C59(0.06) C61(0.06) C62(0.06)
 C63(0.06) C64(0.06) C65(0.06) C66(0.06) C68(0.06) C72(0.06) C74(0.06)
 C75(0.06) C76(0.06) C77(0.06) C78(0.06) C79(0.06) C82(0.06) C84(0.06)
 C85(0.06) C86(0.06) C88(0.06) C90(0.06) C91(0.06) C92(0.06) C94(0.06)
 C95(0.06) C100(0.06) C103(0.06) C1(0.06) C2(0.06) C3(0.06) C5(0.06) C10(0.06)
 C11(0.06) C12(0.06) C13(0.06) C16(0.06) C18(0.06) C19(0.06) C21(0.06)
 C22(0.06) C24(0.06) C26(0.06) C27(0.06) C29(0.06) C32(0.06) C33(0.06)
 C34(0.06) C35(0.06) C37(0.06) C44(0.06) C45(0.06) C46(0.06) C47(0.06)
 C49(0.06) C50(0.06) C51(0.06) C53(0.06) C54(0.06) C56(0.06) C58(0.06)
 C60(0.06) C67(0.06) C69(0.06) C70(0.06) C71(0.06) C73(0.06) C80(0.06)
 C81(0.06) C83(0.06) C87(0.06) C89(0.06) C93(0.06) C96(0.06) C97(0.06)
 C98(0.06) C99(0.06) C101(0.06) C102(0.06) C104(0.06) N5(0.15) O26(0.15)
 O28(0.15) O30(0.15) O32(0.1) N11(0.15) O40(0.15) O42(0.15) O43(0.15) N3(0.15)
 O25(0.15) O13(0.15) O27(0.15) O7(0.1) O2(0.1) O33(0.1) N13(0.15) O17(0.15)
 O35(0.15) O9(0.15) N27(0.15) O37(0.15) O41(0.15) O39(0.15) N21(0.15) O36(0.15)
 O34(0.15) O38(0.15)
7.a Free rotating group:
 N5(O26,O28,O30), N11(O40,O42,O43), N3(O25,O13,O27), N13(O17,O35,O9), N27(O37,
 O41,O39), N21(O36,O34,O38)
7.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C6(H6A,H6B), C14(H14A,H14B), C17(H17A,H17B), C25(H25A,H25B),
 C28(H28A,H28B), C40(H40A,H40B), C48(H48A,H48B), C52(H52A,H52B), C63(H63A,H63B),
  C74(H74A,H74B), C94(H94A,H94B), C1(H1A,H1B), C18(H18A,H18B), C19(H19A,H19B),
 C29(H29A,H29B), C35(H35A,H35B), C45(H45A,H45B), C47(H47A,H47B), C49(H49A,H49B),
  C56(H56A,H56B), C73(H73A,H73B), C97(H97A,H97B), C99(H99A,H99B)
7.c Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C15(H15), C20(H20), C23(H23), C36(H36), C39(H39), C41(H41),
 C42(H42), C55(H55), C57(H57), C59(H59), C62(H62), C64(H64), C65(H65), C66(H66),
  C68(H68), C72(H72), C75(H75), C76(H76), C77(H77), C78(H78), C79(H79),
 C82(H82), C84(H84), C86(H86), C88(H88), C90(H90), C92(H92), C95(H95),
 C100(H100), C103(H103), C2(H2), C5(H5), C10(H10), C11(H11), C12(H12), C13(H13),
  C16(H16), C21(H21), C22(H22), C26(H26), C27(H27), C32(H32), C33(H33),
 C37(H37), C44(H44), C46(H46), C50(H50), C53(H53), C58(H58), C60(H60), C67(H67),
  C69(H69), C70(H70), C81(H81), C83(H83), C87(H87), C89(H89), C96(H96),
 C98(H98), C101(H101), C102(H102), C104(H104)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au2 Au 0.61415(16) 0.25058(13) 0.49348(13) 0.0613(10) Uani 1 1 d . . . . .
Au5 Au 0.37362(17) 0.25288(13) 0.51625(13) 0.0644(10) Uani 1 1 d . . . . .
Ag1 Ag 0.6502(4) 0.3501(3) 0.3780(3) 0.094(2) Uani 1 1 d . . . . .
Ag3 Ag 0.6921(3) 0.1562(3) 0.5940(2) 0.0792(19) Uani 1 1 d . . . . .
Ag4 Ag 0.2771(4) 0.3620(3) 0.4451(3) 0.0813(19) Uani 1 1 d . . . . .
Ag6 Ag 0.3222(3) 0.1379(2) 0.6075(2) 0.0707(18) Uani 1 1 d . . . . .
P1 P 0.6314(11) 0.3457(9) 0.5623(9) 0.063(6) Uani 1 1 d . . . . .
P2 P 0.3806(10) 0.3275(8) 0.6026(9) 0.057(6) Uani 1 1 d . . . . .
P3 P 0.6150(10) 0.1598(9) 0.4189(8) 0.051(5) Uani 1 1 d . . . . .
P4 P 0.3607(10) 0.1784(9) 0.4304(9) 0.058(6) Uani 1 1 d . . . . .
O1 O 0.451(2) 0.055(2) 0.5909(17) 0.065(12) Uiso 1 1 d . . . . .
O4 O 0.508(3) 0.155(3) 0.589(2) 0.093(15) Uiso 1 1 d . . . . .
O6 O 0.581(2) 0.0616(19) 0.5912(16) 0.054(12) Uiso 1 1 d . . . . .
O8 O 0.424(2) 0.4424(19) 0.4361(18) 0.082(14) Uiso 1 1 d D U . . .
O10 O 0.543(2) 0.440(2) 0.4027(19) 0.095(14) Uiso 1 1 d D U . . .
O12 O 0.486(2) 0.347(2) 0.424(2) 0.108(16) Uiso 1 1 d D U . . .
N1 N 0.769(3) 0.362(2) 0.431(2) 0.059(15) Uiso 1 1 d . . . . .
N4 N 0.515(4) 0.090(3) 0.585(2) 0.073(17) Uiso 1 1 d . . . . .
N6 N 0.660(3) 0.216(2) 0.679(2) 0.055(14) Uiso 1 1 d . . . . .
N8 N 0.219(3) 0.411(2) 0.528(2) 0.046(13) Uiso 1 1 d . . . . .
N10 N 0.365(3) 0.179(2) 0.697(2) 0.046(13) Uiso 1 1 d . . . . .
N12 N 0.309(2) 0.330(2) 0.3551(19) 0.038(13) Uiso 1 1 d . . . . .
N14 N 0.231(3) 0.095(2) 0.539(2) 0.054(14) Uiso 1 1 d . . . . .
N16 N 0.775(3) 0.142(3) 0.519(2) 0.074(16) Uiso 1 1 d . . . . .
N18 N 0.614(3) 0.288(3) 0.295(2) 0.050(14) Uiso 1 1 d . . . . .
N20 N 0.4840(19) 0.4100(17) 0.4217(14) 0.13(2) Uiso 1 1 d D U . . .
C4 C 0.482(3) 0.337(3) 0.635(3) 0.060 Uiso 1 1 d . U . . .
H4A H 0.4771 0.3579 0.6791 0.072 Uiso 1 1 calc R U . . .
H4B H 0.5078 0.2896 0.6403 0.072 Uiso 1 1 calc R U . . .
C6 C 0.278(3) 0.208(3) 0.376(3) 0.060 Uiso 1 1 d . U . . .
H6A H 0.2575 0.1672 0.3524 0.072 Uiso 1 1 calc R U . . .
H6B H 0.2327 0.2284 0.4022 0.072 Uiso 1 1 calc R U . . .
C7 C 0.767(4) 0.392(3) 0.498(3) 0.060 Uiso 1 1 d . U . . .
C8 C 0.142(4) 0.429(3) 0.521(3) 0.060 Uiso 1 1 d . U . . .
H8 H 0.1184 0.4237 0.4793 0.072 Uiso 1 1 calc R U . . .
C9 C 0.428(3) 0.145(3) 0.796(3) 0.060 Uiso 1 1 d . U . . .
H9 H 0.4478 0.1085 0.8239 0.072 Uiso 1 1 calc R U . . .
C14 C 0.674(3) 0.083(3) 0.451(3) 0.060 Uiso 1 1 d . U . . .
H14A H 0.6475 0.0651 0.4916 0.072 Uiso 1 1 calc R U . . .
H14B H 0.6730 0.0439 0.4189 0.072 Uiso 1 1 calc R U . . .
C15 C 0.133(4) 0.475(3) 0.628(3) 0.060 Uiso 1 1 d . U . . .
H15 H 0.1052 0.4993 0.6619 0.072 Uiso 1 1 calc R U . . .
C17 C 0.539(3) 0.383(3) 0.594(3) 0.060 Uiso 1 1 d . U . . .
H17A H 0.5532 0.4248 0.6201 0.072 Uiso 1 1 calc R U . . .
H17B H 0.5068 0.4015 0.5567 0.072 Uiso 1 1 calc R U . . .
C20 C 0.618(3) 0.211(3) 0.792(3) 0.060 Uiso 1 1 d . U . . .
H20 H 0.5999 0.1849 0.8296 0.072 Uiso 1 1 calc R U . . .
C23 C 0.365(3) 0.369(3) 0.244(3) 0.060 Uiso 1 1 d . U . . .
H23 H 0.3822 0.4080 0.2179 0.072 Uiso 1 1 calc R U . . .
C25 C 0.678(3) 0.418(3) 0.518(3) 0.060 Uiso 1 1 d . U . . .
H25A H 0.6458 0.4300 0.4785 0.072 Uiso 1 1 calc R U . . .
H25B H 0.6803 0.4606 0.5450 0.072 Uiso 1 1 calc R U . . .
C28 C 0.317(3) 0.299(3) 0.672(3) 0.060 Uiso 1 1 d . U . . .
H28A H 0.2976 0.3409 0.6956 0.072 Uiso 1 1 calc R U . . .
H28B H 0.2683 0.2742 0.6555 0.072 Uiso 1 1 calc R U . . .
C30 C 0.763(4) 0.102(3) 0.464(3) 0.060 Uiso 1 1 d . U . . .
C31 C 0.245(4) 0.083(3) 0.479(3) 0.060 Uiso 1 1 d . U . . .
C36 C 0.167(4) 0.092(3) 0.569(3) 0.060 Uiso 1 1 d . U . . .
H36 H 0.1627 0.1039 0.6137 0.072 Uiso 1 1 calc R U . . .
C38 C 0.308(4) 0.265(3) 0.327(3) 0.060 Uiso 1 1 d . U . . .
C39 C 0.634(3) 0.182(3) 0.736(3) 0.060 Uiso 1 1 d . U . . .
H39 H 0.6281 0.1320 0.7345 0.072 Uiso 1 1 calc R U . . .
C40 C 0.665(3) 0.173(3) 0.340(3) 0.060 Uiso 1 1 d . U . . .
H40A H 0.7194 0.1934 0.3473 0.072 Uiso 1 1 calc R U . . .
H40B H 0.6738 0.1257 0.3209 0.072 Uiso 1 1 calc R U . . .
C41 C 0.580(3) 0.322(3) 0.239(3) 0.060 Uiso 1 1 d . U . . .
H41 H 0.5673 0.3712 0.2415 0.072 Uiso 1 1 calc R U . . .
C42 C 0.330(3) 0.243(3) 0.265(3) 0.060 Uiso 1 1 d . U . . .
H42 H 0.3264 0.1956 0.2518 0.072 Uiso 1 1 calc R U . . .
C43 C 0.360(4) 0.249(3) 0.719(3) 0.060 Uiso 1 1 d . U . . .
C48 C 0.332(3) 0.090(3) 0.449(3) 0.060 Uiso 1 1 d . U . . .
H48A H 0.3353 0.0624 0.4085 0.072 Uiso 1 1 calc R U . . .
H48B H 0.3719 0.0693 0.4795 0.072 Uiso 1 1 calc R U . . .
C52 C 0.339(3) 0.420(3) 0.586(3) 0.060 Uiso 1 1 d . U . . .
H52A H 0.3592 0.4511 0.6203 0.072 Uiso 1 1 calc R U . . .
H52B H 0.3642 0.4371 0.5443 0.072 Uiso 1 1 calc R U . . .
C55 C 0.902(4) 0.338(3) 0.437(3) 0.060 Uiso 1 1 d . U . . .
H55 H 0.9527 0.3219 0.4191 0.072 Uiso 1 1 calc R U . . .
C57 C 0.205(4) 0.457(3) 0.632(3) 0.060 Uiso 1 1 d . U . . .
H57 H 0.2304 0.4622 0.6724 0.072 Uiso 1 1 calc R U . . .
C59 C 0.424(3) 0.215(3) 0.817(3) 0.060 Uiso 1 1 d . U . . .
H59 H 0.4481 0.2284 0.8566 0.072 Uiso 1 1 calc R U . . .
C61 C 0.254(4) 0.430(3) 0.582(3) 0.060 Uiso 1 1 d . U . . .
C62 C 0.837(4) 0.332(3) 0.405(3) 0.060 Uiso 1 1 d . U . . .
H62 H 0.8369 0.3086 0.3644 0.072 Uiso 1 1 calc R U . . .
C63 C 0.699(3) 0.325(3) 0.630(2) 0.060 Uiso 1 1 d . U . . .
H63A H 0.7435 0.2937 0.6133 0.072 Uiso 1 1 calc R U . . .
H63B H 0.7250 0.3701 0.6426 0.072 Uiso 1 1 calc R U . . .
C64 C 0.916(4) 0.152(3) 0.474(3) 0.060 Uiso 1 1 d . U . . .
H64 H 0.9674 0.1751 0.4769 0.072 Uiso 1 1 calc R U . . .
C65 C 0.358(3) 0.298(3) 0.223(3) 0.060 Uiso 1 1 d . U . . .
H65 H 0.3722 0.2868 0.1794 0.072 Uiso 1 1 calc R U . . .
C66 C 0.100(4) 0.069(3) 0.534(3) 0.060 Uiso 1 1 d . U . . .
H66 H 0.0488 0.0647 0.5558 0.072 Uiso 1 1 calc R U . . .
C68 C 0.342(3) 0.372(3) 0.309(3) 0.060 Uiso 1 1 d . U . . .
H68 H 0.3526 0.4175 0.3250 0.072 Uiso 1 1 calc R U . . .
C72 C 0.566(3) 0.290(3) 0.185(3) 0.060 Uiso 1 1 d . U . . .
H72 H 0.5521 0.3176 0.1476 0.072 Uiso 1 1 calc R U . . .
C74 C 0.518(3) 0.124(3) 0.403(3) 0.060 Uiso 1 1 d . U . . .
H74A H 0.5262 0.0861 0.3710 0.072 Uiso 1 1 calc R U . . .
H74B H 0.4972 0.1016 0.4437 0.072 Uiso 1 1 calc R U . . .
C75 C 0.649(3) 0.325(3) 0.744(3) 0.060 Uiso 1 1 d . U . . .
H75 H 0.6535 0.3751 0.7476 0.072 Uiso 1 1 calc R U . . .
C76 C 0.384(3) 0.263(3) 0.779(3) 0.060 Uiso 1 1 d . U . . .
H76 H 0.3720 0.3090 0.7962 0.072 Uiso 1 1 calc R U . . .
C77 C 0.860(4) 0.162(3) 0.517(3) 0.060 Uiso 1 1 d . U . . .
H77 H 0.8779 0.1861 0.5546 0.072 Uiso 1 1 calc R U . . .
C78 C 0.904(4) 0.108(3) 0.423(3) 0.060 Uiso 1 1 d . U . . .
H78 H 0.9472 0.0920 0.3951 0.072 Uiso 1 1 calc R U . . .
C79 C 0.820(4) 0.090(3) 0.417(3) 0.060 Uiso 1 1 d . U . . .
H79 H 0.8032 0.0678 0.3779 0.072 Uiso 1 1 calc R U . . .
C82 C 0.186(4) 0.061(3) 0.440(3) 0.060 Uiso 1 1 d . U . . .
H82 H 0.1953 0.0514 0.3953 0.072 Uiso 1 1 calc R U . . .
C84 C 0.104(4) 0.052(3) 0.472(3) 0.060 Uiso 1 1 d . U . . .
H84 H 0.0580 0.0355 0.4492 0.072 Uiso 1 1 calc R U . . .
C85 C 0.622(3) 0.220(3) 0.290(3) 0.060 Uiso 1 1 d . U . . .
C86 C 0.606(3) 0.185(3) 0.229(3) 0.060 Uiso 1 1 d . U . . .
H86 H 0.6199 0.1362 0.2240 0.072 Uiso 1 1 calc R U . . .
C88 C 0.572(3) 0.219(3) 0.181(3) 0.060 Uiso 1 1 d . U . . .
H88 H 0.5521 0.1950 0.1442 0.072 Uiso 1 1 calc R U . . .
C90 C 0.403(3) 0.129(3) 0.731(3) 0.060 Uiso 1 1 d . U . . .
H90 H 0.4134 0.0835 0.7135 0.072 Uiso 1 1 calc R U . . .
C91 C 0.662(3) 0.291(3) 0.689(3) 0.060 Uiso 1 1 d . U . . .
C92 C 0.093(4) 0.457(3) 0.570(3) 0.060 Uiso 1 1 d . U . . .
H92 H 0.0361 0.4627 0.5658 0.072 Uiso 1 1 calc R U . . .
C94 C 0.449(3) 0.174(3) 0.377(3) 0.060 Uiso 1 1 d . U . . .
H94A H 0.4317 0.1576 0.3341 0.072 Uiso 1 1 calc R U . . .
H94B H 0.4709 0.2228 0.3709 0.072 Uiso 1 1 calc R U . . .
C95 C 0.629(3) 0.284(3) 0.793(3) 0.060 Uiso 1 1 d . U . . .
H95 H 0.6207 0.3058 0.8340 0.072 Uiso 1 1 calc R U . . .
C100 C 0.835(4) 0.393(3) 0.529(3) 0.060 Uiso 1 1 d . U . . .
H100 H 0.8351 0.4106 0.5721 0.072 Uiso 1 1 calc R U . . .
C103 C 0.903(4) 0.370(3) 0.503(3) 0.060 Uiso 1 1 d . U . . .
H103 H 0.9529 0.3743 0.5255 0.072 Uiso 1 1 calc R U . . .
Au8 Au 0.11595(17) 0.25125(13) 0.99367(13) 0.0642(10) Uani 1 1 d . . . . .
Au11 Au -0.11702(17) 0.24736(13) 0.98075(13) 0.0641(10) Uani 1 1 d . . . . .
Ag7 Ag 0.1921(4) 0.3509(3) 0.8934(3) 0.105(2) Uani 1 1 d . . . . .
Ag9 Ag 0.1487(4) 0.1490(3) 1.1019(3) 0.092(2) Uani 1 1 d . . . . .
Ag10 Ag -0.1846(3) 0.3605(3) 0.8943(2) 0.0725(18) Uani 1 1 d . . . . .
Ag12 Ag -0.2146(3) 0.1363(3) 1.0508(3) 0.0791(19) Uani 1 1 d . . . . .
P5 P 0.1168(10) 0.3404(8) 1.0712(8) 0.053(5) Uani 1 1 d . . . . .
P6 P -0.1339(11) 0.3196(9) 1.0682(9) 0.063(6) Uani 1 1 d . . . . .
P7 P 0.1374(10) 0.1593(9) 0.9218(9) 0.059(6) Uani 1 1 d . . . . .
P8 P -0.1111(10) 0.1732(9) 0.8924(8) 0.055(5) Uani 1 1 d . . . . .
O14 O 0.040(2) 0.058(2) 1.110(2) 0.102(16) Uiso 1 1 d D . . . .
O16 O 0.002(3) 0.351(2) 0.907(2) 0.129(10) Uiso 1 1 d D . . . .
O18 O -0.056(3) 0.449(2) 0.904(2) 0.129(10) Uiso 1 1 d D . . . .
O20 O 0.071(3) 0.439(2) 0.907(2) 0.129(10) Uiso 1 1 d D . . . .
O22 O -0.065(2) 0.043(2) 1.0568(18) 0.090(15) Uiso 1 1 d D . . . .
O24 O 0.002(3) 0.137(2) 1.046(2) 0.117(18) Uiso 1 1 d D . . . .
N22 N -0.268(3) 0.084(3) 0.971(3) 0.079(17) Uiso 1 1 d . . . . .
N24 N -0.0076(19) 0.0788(17) 1.0700(15) 0.10(2) Uiso 1 1 d D . . . .
N26 N -0.266(3) 0.404(2) 0.966(2) 0.061(15) Uiso 1 1 d . . . . .
N28 N -0.141(3) 0.328(3) 0.800(2) 0.059(15) Uiso 1 1 d . . . . .
N29 N 0.004(2) 0.4140(19) 0.913(3) 0.129(10) Uiso 1 1 d D . . . .
N15 N 0.154(3) 0.294(3) 0.808(2) 0.064(15) Uiso 1 1 d . . . . .
N2 N 0.263(3) 0.136(3) 1.048(3) 0.090(18) Uiso 1 1 d . . . . .
N17 N 0.119(3) 0.204(2) 1.187(2) 0.045(13) Uiso 1 1 d . . . . .
N9 N 0.277(3) 0.364(3) 0.973(2) 0.073(16) Uiso 1 1 d . . . . .
N19 N -0.176(3) 0.167(3) 1.140(3) 0.094(19) Uiso 1 1 d . . . . .
C1 C -0.175(3) 0.194(3) 0.827(3) 0.060 Uiso 1 1 d . U . . .
H1A H -0.1798 0.1508 0.8001 0.072 Uiso 1 1 calc R U . . .
H1B H -0.2300 0.2056 0.8442 0.072 Uiso 1 1 calc R U . . .
C2 C 0.101(3) 0.306(3) 0.698(3) 0.060 Uiso 1 1 d . U . . .
H2 H 0.0842 0.3349 0.6627 0.072 Uiso 1 1 calc R U . . .
C3 C -0.226(4) 0.071(3) 0.919(3) 0.060 Uiso 1 1 d . U . . .
C5 C 0.418(4) 0.347(3) 1.003(3) 0.060 Uiso 1 1 d . U . . .
H5 H 0.4713 0.3285 0.9926 0.072 Uiso 1 1 calc R U . . .
C10 C -0.390(4) 0.454(3) 1.050(3) 0.060 Uiso 1 1 d . U . . .
H10 H -0.4318 0.4716 1.0784 0.072 Uiso 1 1 calc R U . . .
C11 C -0.266(4) 0.035(3) 0.868(3) 0.060 Uiso 1 1 d . U . . .
H11 H -0.2372 0.0147 0.8318 0.072 Uiso 1 1 calc R U . . .
C12 C 0.096(3) 0.168(3) 1.240(3) 0.060 Uiso 1 1 d . U . . .
H12 H 0.0915 0.1181 1.2378 0.072 Uiso 1 1 calc R U . . .
C13 C -0.405(4) 0.438(3) 0.993(3) 0.060 Uiso 1 1 d . U . . .
H13 H -0.4598 0.4450 0.9784 0.072 Uiso 1 1 calc R U . . .
C16 C -0.098(3) 0.287(3) 0.675(3) 0.060 Uiso 1 1 d . U . . .
H16 H -0.0866 0.2754 0.6304 0.072 Uiso 1 1 calc R U . . .
C18 C -0.216(3) 0.290(3) 1.124(3) 0.060 Uiso 1 1 d . U . . .
H18A H -0.2345 0.3300 1.1514 0.072 Uiso 1 1 calc R U . . .
H18B H -0.2634 0.2741 1.0989 0.072 Uiso 1 1 calc R U . . .
C19 C -0.007(3) 0.169(3) 0.852(3) 0.060 Uiso 1 1 d . U . . .
H19A H -0.0141 0.1547 0.8062 0.072 Uiso 1 1 calc R U . . .
H19B H 0.0167 0.2166 0.8515 0.072 Uiso 1 1 calc R U . . .
C21 C 0.078(3) 0.201(3) 1.298(3) 0.060 Uiso 1 1 d . U . . .
H21 H 0.0597 0.1729 1.3339 0.072 Uiso 1 1 calc R U . . .
C22 C -0.122(3) 0.241(3) 0.720(3) 0.060 Uiso 1 1 d . U . . .
H22 H -0.1220 0.1921 0.7092 0.072 Uiso 1 1 calc R U . . .
C24 C -0.145(3) 0.258(3) 0.780(3) 0.060 Uiso 1 1 d . U . . .
C26 C 0.413(4) 0.130(3) 0.985(3) 0.060 Uiso 1 1 d . U . . .
H26 H 0.4647 0.1307 0.9641 0.072 Uiso 1 1 calc R U . . .
C27 C 0.349(4) 0.107(3) 0.950(3) 0.060 Uiso 1 1 d . U . . .
H27 H 0.3525 0.0916 0.9058 0.072 Uiso 1 1 calc R U . . .
C29 C -0.137(3) 0.082(3) 0.913(3) 0.060 Uiso 1 1 d . U . . .
H29A H -0.1138 0.0509 0.8784 0.072 Uiso 1 1 calc R U . . .
H29B H -0.1107 0.0685 0.9541 0.072 Uiso 1 1 calc R U . . .
C32 C -0.390(4) 0.040(3) 0.935(3) 0.060 Uiso 1 1 d . U . . .
H32 H -0.4458 0.0272 0.9409 0.072 Uiso 1 1 calc R U . . .
C33 C -0.348(4) 0.412(3) 0.949(3) 0.060 Uiso 1 1 d . U . . .
H33 H -0.3644 0.3993 0.9069 0.072 Uiso 1 1 calc R U . . .
C34 C -0.251(4) 0.415(3) 1.026(3) 0.060 Uiso 1 1 d . U . . .
C35 C -0.160(3) 0.413(3) 1.055(3) 0.060 Uiso 1 1 d . U . . .
H35A H -0.1585 0.4394 1.0963 0.072 Uiso 1 1 calc R U . . .
H35B H -0.1209 0.4357 1.0236 0.072 Uiso 1 1 calc R U . . .
C37 C 0.341(4) 0.154(3) 1.074(3) 0.060 Uiso 1 1 d . U . . .
H37 H 0.3405 0.1679 1.1178 0.072 Uiso 1 1 calc R U . . .
C44 C -0.308(4) 0.443(3) 1.072(3) 0.060 Uiso 1 1 d . U . . .
H44 H -0.2922 0.4550 1.1146 0.072 Uiso 1 1 calc R U . . .
C45 C 0.193(3) 0.090(3) 0.957(3) 0.060 Uiso 1 1 d . U . . .
H45A H 0.1572 0.0670 0.9901 0.072 Uiso 1 1 calc R U . . .
H45B H 0.2039 0.0547 0.9225 0.072 Uiso 1 1 calc R U . . .
C46 C 0.144(3) 0.196(3) 0.738(3) 0.060 Uiso 1 1 d . U . . .
H46 H 0.1572 0.1479 0.7286 0.072 Uiso 1 1 calc R U . . .
C47 C 0.054(3) 0.116(3) 0.884(3) 0.060 Uiso 1 1 d . U . . .
H47A H 0.0759 0.0834 0.8510 0.072 Uiso 1 1 calc R U . . .
H47B H 0.0242 0.0871 0.9177 0.072 Uiso 1 1 calc R U . . .
C49 C 0.164(3) 0.321(3) 1.143(3) 0.060 Uiso 1 1 d . U . . .
H49A H 0.2180 0.2999 1.1301 0.072 Uiso 1 1 calc R U . . .
H49B H 0.1767 0.3677 1.1617 0.072 Uiso 1 1 calc R U . . .
C50 C 0.320(4) 0.404(3) 1.070(3) 0.060 Uiso 1 1 d . U . . .
H50 H 0.3080 0.4257 1.1103 0.072 Uiso 1 1 calc R U . . .
C51 C 0.133(4) 0.278(3) 1.195(3) 0.060 Uiso 1 1 d . U . . .
C53 C -0.091(3) 0.353(3) 0.700(3) 0.060 Uiso 1 1 d . U . . .
H53 H -0.0693 0.3893 0.6730 0.072 Uiso 1 1 calc R U . . .
C54 C 0.261(4) 0.400(3) 1.027(3) 0.060 Uiso 1 1 d . U . . .
C56 C 0.173(3) 0.412(3) 1.044(3) 0.060 Uiso 1 1 d . U . . .
H56A H 0.1459 0.4318 1.0047 0.072 Uiso 1 1 calc R U . . .
H56B H 0.1697 0.4487 1.0775 0.072 Uiso 1 1 calc R U . . .
C58 C -0.143(3) 0.116(3) 1.183(3) 0.060 Uiso 1 1 d . U . . .
H58 H -0.1317 0.0706 1.1663 0.072 Uiso 1 1 calc R U . . .
C60 C 0.402(4) 0.379(3) 1.059(3) 0.060 Uiso 1 1 d . U . . .
H60 H 0.4424 0.3841 1.0903 0.072 Uiso 1 1 calc R U . . .
C67 C -0.352(4) 0.030(3) 0.874(3) 0.060 Uiso 1 1 d . U . . .
H67 H -0.3845 0.0210 0.8373 0.072 Uiso 1 1 calc R U . . .
C69 C 0.355(4) 0.342(3) 0.962(3) 0.060 Uiso 1 1 d . U . . .
H69 H 0.3666 0.3213 0.9212 0.072 Uiso 1 1 calc R U . . .
C70 C 0.410(4) 0.153(3) 1.046(3) 0.060 Uiso 1 1 d . U . . .
H70 H 0.4580 0.1682 1.0674 0.072 Uiso 1 1 calc R U . . .
C71 C 0.277(4) 0.108(3) 0.989(3) 0.060 Uiso 1 1 d . U . . .
C73 C 0.193(3) 0.186(3) 0.854(3) 0.060 Uiso 1 1 d . U . . .
H73A H 0.2390 0.2135 0.8703 0.072 Uiso 1 1 calc R U . . .
H73B H 0.2177 0.1416 0.8364 0.072 Uiso 1 1 calc R U . . .
C80 C -0.187(4) 0.230(3) 1.167(3) 0.060 Uiso 1 1 d . U . . .
C81 C -0.128(3) 0.194(3) 1.270(3) 0.060 Uiso 1 1 d . U . . .
H81 H -0.1072 0.2041 1.3113 0.072 Uiso 1 1 calc R U . . .
C83 C 0.106(3) 0.233(3) 0.696(3) 0.060 Uiso 1 1 d . U . . .
H83 H 0.0799 0.2094 0.6617 0.072 Uiso 1 1 calc R U . . .
C87 C 0.110(3) 0.307(3) 1.252(3) 0.060 Uiso 1 1 d . U . . .
H87 H 0.1121 0.3577 1.2543 0.072 Uiso 1 1 calc R U . . .
C89 C -0.127(3) 0.127(3) 1.244(3) 0.060 Uiso 1 1 d . U . . .
H89 H -0.1149 0.0878 1.2715 0.072 Uiso 1 1 calc R U . . .
C93 C 0.167(4) 0.223(3) 0.799(3) 0.060 Uiso 1 1 d . U . . .
C96 C -0.114(3) 0.371(3) 0.764(3) 0.060 Uiso 1 1 d . U . . .
H96 H -0.1075 0.4186 0.7779 0.072 Uiso 1 1 calc R U . . .
C97 C -0.047(3) 0.327(3) 1.123(3) 0.060 Uiso 1 1 d . U . . .
H97A H -0.0666 0.3469 1.1650 0.072 Uiso 1 1 calc R U . . .
H97B H -0.0238 0.2793 1.1320 0.072 Uiso 1 1 calc R U . . .
C98 C 0.124(3) 0.333(3) 0.758(3) 0.060 Uiso 1 1 d . U . . .
H98 H 0.1191 0.3827 0.7633 0.072 Uiso 1 1 calc R U . . .
C99 C 0.021(3) 0.376(3) 1.093(3) 0.060 Uiso 1 1 d . U . . .
H99A H 0.0307 0.4142 1.1242 0.072 Uiso 1 1 calc R U . . .
H99B H -0.0015 0.3988 1.0534 0.072 Uiso 1 1 calc R U . . .
C101 C 0.086(3) 0.273(3) 1.303(3) 0.060 Uiso 1 1 d . U . . .
H101 H 0.0737 0.2958 1.3431 0.072 Uiso 1 1 calc R U . . .
C102 C -0.162(3) 0.243(3) 1.229(3) 0.060 Uiso 1 1 d . U . . .
H102 H -0.1684 0.2896 1.2453 0.072 Uiso 1 1 calc R U . . .
C104 C -0.348(4) 0.068(3) 0.986(3) 0.060 Uiso 1 1 d . U . . .
H104 H -0.3725 0.0757 1.0272 0.072 Uiso 1 1 calc R U . . .
N5 N 0.4772(18) 0.4564(16) 0.8069(14) 0.150 Uiso 1 1 d G U . A 1
O26 O 0.437(3) 0.456(3) 0.7563(19) 0.150 Uiso 1 1 d G U . A 1
O28 O 0.474(3) 0.405(2) 0.846(2) 0.150 Uiso 1 1 d G U . A 1
O30 O 0.520(3) 0.509(2) 0.819(2) 0.150 Uiso 1 1 d G U . A 1
O32 O 0.285(3) 0.427(2) 0.808(2) 0.100 Uiso 1 1 d . U . . .
N11 N 0.1602(19) 0.4774(14) 0.3246(15) 0.150 Uiso 1 1 d G U . B 1
O40 O 0.165(3) 0.466(3) 0.2650(16) 0.150 Uiso 1 1 d G U . B 1
O42 O 0.095(2) 0.466(3) 0.356(2) 0.150 Uiso 1 1 d G U . B 1
O43 O 0.221(2) 0.500(3) 0.353(2) 0.150 Uiso 1 1 d G U . B 1
O11 O 0.175(3) 0.2560(19) 0.5444(18) 0.062(12) Uiso 1 1 d . . . . .
O23 O 0.051(3) 0.259(2) 0.552(2) 0.084(14) Uiso 1 1 d . . . . .
O3 O 0.113(3) 0.265(2) 0.459(2) 0.086(15) Uiso 1 1 d . . . . .
N23 N 0.110(4) 0.262(3) 0.516(3) 0.09(2) Uiso 1 1 d . . . . .
N3 N 0.826(2) 0.4561(16) 0.2214(13) 0.150 Uiso 1 1 d G U . C 1
O25 O 0.777(3) 0.416(2) 0.250(2) 0.150 Uiso 1 1 d G U . C 1
O13 O 0.800(3) 0.508(2) 0.189(2) 0.150 Uiso 1 1 d G U . C 1
O27 O 0.901(2) 0.444(3) 0.224(2) 0.150 Uiso 1 1 d G U . C 1
O7 O 0.751(3) 0.057(2) 0.671(2) 0.100 Uiso 1 1 d . U . . .
O29 O 0.695(2) 0.2426(18) 0.9484(17) 0.057(12) Uiso 1 1 d . . . . .
O15 O 0.562(3) 0.241(2) 0.950(2) 0.079(14) Uiso 1 1 d . . . . .
O31 O 0.622(3) 0.227(2) 1.033(2) 0.092(15) Uiso 1 1 d . . . . .
N25 N 0.626(4) 0.236(2) 0.972(3) 0.060(16) Uiso 1 1 d . . . . .
O2 O 0.560(3) 0.033(2) 0.138(2) 0.100 Uiso 1 1 d . U . . .
O33 O -0.277(3) 0.474(2) 0.811(2) 0.100 Uiso 1 1 d . U . . .
N13 N 0.4024(19) 0.0511(17) 0.2605(13) 0.150 Uiso 1 1 d G U . D 1
O17 O 0.439(3) -0.007(2) 0.268(2) 0.150 Uiso 1 1 d G U . D 1
O35 O 0.434(3) 0.099(2) 0.226(2) 0.150 Uiso 1 1 d G U . D 1
O9 O 0.334(2) 0.061(3) 0.287(2) 0.150 Uiso 1 1 d G U . D 1
N27 N -0.2732(19) -0.0048(15) 1.2468(15) 0.150 Uiso 1 1 d G U . E 1
O37 O -0.329(3) 0.028(3) 1.276(2) 0.150 Uiso 1 1 d G U . E 1
O41 O -0.215(2) -0.030(3) 1.277(2) 0.150 Uiso 1 1 d G U . E 1
O39 O -0.276(3) -0.012(3) 1.1866(16) 0.150 Uiso 1 1 d G U . E 1
N21 N 0.9547(19) 0.0322(16) 0.7071(13) 0.150 Uiso 1 1 d G U . F 1
O36 O 0.958(3) -0.026(2) 0.678(2) 0.150 Uiso 1 1 d G U . F 1
O34 O 1.012(3) 0.075(2) 0.701(2) 0.150 Uiso 1 1 d G U . F 1
O38 O 0.894(2) 0.047(2) 0.742(2) 0.150 Uiso 1 1 d G U . F 1


_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
Au2 Ag1 3.054(7) . ?
Au2 Ag3 3.001(6) . ?
Au2 P1 2.326(17) . ?
Au2 P3 2.318(16) . ?
Au5 Ag4 2.967(6) . ?
Au5 Ag6 2.961(6) . ?
Au5 P2 2.290(16) . ?
Au5 P4 2.291(17) . ?
Ag1 O10 2.48(4) . ?
Ag1 N1 2.26(5) . ?
Ag1 N18 2.18(4) . ?
Ag3 O6 2.56(4) . ?
Ag3 N6 2.15(4) . ?
Ag3 N16 2.06(5) . ?
Ag4 N8 2.16(4) . ?
Ag4 N12 2.01(4) . ?
Ag6 N10 2.15(4) . ?
Ag6 N14 2.23(5) . ?
P1 C17 1.79(6) . ?
P1 C25 1.80(5) . ?
P1 C63 1.82(5) . ?
P2 C4 1.82(5) . ?
P2 C28 1.83(5) . ?
P2 C52 1.89(6) . ?
P3 C14 1.85(5) . ?
P3 C40 1.81(5) . ?
P3 C74 1.77(5) . ?
P4 C6 1.85(5) . ?
P4 C48 1.76(6) . ?
P4 C94 1.79(6) . ?
O1 N4 1.24(5) . ?
O4 N4 1.25(6) . ?
O6 N4 1.20(5) . ?
O8 N20 1.19(3) . ?
O10 N20 1.18(3) . ?
O12 N20 1.19(3) . ?
N1 C7 1.50(6) . ?
N1 C62 1.35(6) . ?
N6 C39 1.40(6) . ?
N6 C91 1.43(6) . ?
N8 C8 1.31(6) . ?
N8 C61 1.31(6) . ?
N10 C43 1.39(6) . ?
N10 C90 1.33(6) . ?
N12 C38 1.38(6) . ?
N12 C68 1.33(6) . ?
N14 C31 1.27(6) . ?
N14 C36 1.21(6) . ?
N16 C30 1.39(6) . ?
N16 C77 1.44(7) . ?
N18 C41 1.43(6) . ?
N18 C85 1.29(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C17 1.51(7) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C38 1.53(7) . ?
C7 C25 1.58(7) . ?
C7 C100 1.30(7) . ?
C8 H8 0.9500 . ?
C8 C92 1.38(7) . ?
C9 H9 0.9500 . ?
C9 C59 1.40(7) . ?
C9 C90 1.44(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C30 1.53(7) . ?
C15 H15 0.9500 . ?
C15 C57 1.23(6) . ?
C15 C92 1.41(7) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C20 H20 0.9500 . ?
C20 C39 1.31(6) . ?
C20 C95 1.37(7) . ?
C23 H23 0.9500 . ?
C23 C65 1.42(7) . ?
C23 C68 1.37(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C43 1.52(7) . ?
C30 C79 1.35(7) . ?
C31 C48 1.55(7) . ?
C31 C82 1.34(7) . ?
C36 H36 0.9500 . ?
C36 C66 1.41(7) . ?
C38 C42 1.37(7) . ?
C39 H39 0.9500 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C85 1.52(7) . ?
C41 H41 0.9500 . ?
C41 C72 1.30(6) . ?
C42 H42 0.9500 . ?
C42 C65 1.40(7) . ?
C43 C76 1.33(6) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C52 C61 1.41(7) . ?
C55 H55 0.9500 . ?
C55 C62 1.28(6) . ?
C55 C103 1.49(7) . ?
C57 H57 0.9500 . ?
C57 C61 1.38(7) . ?
C59 H59 0.9500 . ?
C59 C76 1.36(7) . ?
C62 H62 0.9500 . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C91 1.50(7) . ?
C64 H64 0.9500 . ?
C64 C77 1.29(6) . ?
C64 C78 1.35(7) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C66 C84 1.32(6) . ?
C68 H68 0.9500 . ?
C72 H72 0.9500 . ?
C72 C88 1.35(7) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C74 C94 1.56(7) . ?
C75 H75 0.9500 . ?
C75 C91 1.32(7) . ?
C75 C95 1.30(7) . ?
C76 H76 0.9500 . ?
C77 H77 0.9500 . ?
C78 H78 0.9500 . ?
C78 C79 1.44(7) . ?
C79 H79 0.9500 . ?
C82 H82 0.9500 . ?
C82 C84 1.48(7) . ?
C84 H84 0.9500 . ?
C85 C86 1.46(7) . ?
C86 H86 0.9500 . ?
C86 C88 1.30(6) . ?
C88 H88 0.9500 . ?
C90 H90 0.9500 . ?
C92 H92 0.9500 . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 H95 0.9500 . ?
C100 H100 0.9500 . ?
C100 C103 1.30(7) . ?
C103 H103 0.9500 . ?
Au8 Ag7 3.024(6) . ?
Au8 Ag9 2.974(6) . ?
Au8 P5 2.338(17) . ?
Au8 P7 2.319(18) . ?
Au11 Ag10 2.973(6) . ?
Au11 Ag12 2.978(6) . ?
Au11 P6 2.287(17) . ?
Au11 P8 2.313(17) . ?
Ag7 O20 2.60(4) . ?
Ag7 N15 2.18(5) . ?
Ag7 N9 2.18(5) . ?
Ag9 O14 2.48(4) . ?
Ag9 N2 2.17(6) . ?
Ag9 N17 2.10(4) . ?
Ag10 N26 2.13(5) . ?
Ag10 N28 2.15(5) . ?
Ag12 N22 2.14(5) . ?
Ag12 N19 2.06(6) . ?
P5 C49 1.71(5) . ?
P5 C56 1.72(6) . ?
P5 C99 1.75(6) . ?
P6 C18 1.84(5) . ?
P6 C35 1.83(6) . ?
P6 C97 1.84(5) . ?
P7 C45 1.73(5) . ?
P7 C47 1.79(5) . ?
P7 C73 1.73(5) . ?
P8 C1 1.76(5) . ?
P8 C19 1.88(6) . ?
P8 C29 1.81(5) . ?
O14 N24 1.20(3) . ?
O16 N29 1.19(3) . ?
O18 N29 1.19(3) . ?
O20 N29 1.20(3) . ?
O22 N24 1.20(3) . ?
O24 N24 1.20(3) . ?
N22 C3 1.29(6) . ?
N22 C104 1.37(6) . ?
N26 C33 1.39(6) . ?
N26 C34 1.30(6) . ?
N28 C24 1.38(6) . ?
N28 C96 1.18(6) . ?
N15 C93 1.35(6) . ?
N15 C98 1.36(6) . ?
N2 C37 1.44(7) . ?
N2 C71 1.35(6) . ?
N17 C12 1.31(6) . ?
N17 C51 1.43(6) . ?
N9 C54 1.34(6) . ?
N9 C69 1.35(6) . ?
N19 C58 1.39(7) . ?
N19 C80 1.32(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C24 1.61(7) . ?
C2 H2 0.9500 . ?
C2 C83 1.38(7) . ?
C2 C98 1.39(7) . ?
C3 C11 1.44(7) . ?
C3 C29 1.48(7) . ?
C5 H5 0.9500 . ?
C5 C60 1.33(6) . ?
C5 C69 1.35(7) . ?
C10 H10 0.9500 . ?
C10 C13 1.25(6) . ?
C10 C44 1.44(7) . ?
C11 H11 0.9500 . ?
C11 C67 1.41(7) . ?
C12 H12 0.9500 . ?
C12 C21 1.37(7) . ?
C13 H13 0.9500 . ?
C13 C33 1.38(7) . ?
C16 H16 0.9500 . ?
C16 C22 1.32(7) . ?
C16 C53 1.37(7) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C80 1.49(7) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C47 1.55(7) . ?
C21 H21 0.9500 . ?
C21 C101 1.37(7) . ?
C22 H22 0.9500 . ?
C22 C24 1.33(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.37(7) . ?
C26 C70 1.33(6) . ?
C27 H27 0.9500 . ?
C27 C71 1.42(7) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C32 H32 0.9500 . ?
C32 C67 1.39(6) . ?
C32 C104 1.38(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.61(7) . ?
C34 C44 1.41(7) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C37 H37 0.9500 . ?
C37 C70 1.25(6) . ?
C44 H44 0.9500 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C71 1.59(7) . ?
C46 H46 0.9500 . ?
C46 C83 1.27(6) . ?
C46 C93 1.43(7) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C51 1.43(7) . ?
C50 H50 0.9500 . ?
C50 C54 1.33(7) . ?
C50 C60 1.42(7) . ?
C51 C87 1.35(7) . ?
C53 H53 0.9500 . ?
C53 C96 1.40(7) . ?
C54 C56 1.49(7) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C58 H58 0.9500 . ?
C58 C89 1.31(6) . ?
C60 H60 0.9500 . ?
C67 H67 0.9500 . ?
C69 H69 0.9500 . ?
C70 H70 0.9500 . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C73 C93 1.39(7) . ?
C80 C102 1.39(7) . ?
C81 H81 0.9500 . ?
C81 C89 1.37(7) . ?
C81 C102 1.35(7) . ?
C83 H83 0.9500 . ?
C87 H87 0.9500 . ?
C87 C101 1.30(6) . ?
C89 H89 0.9500 . ?
C96 H96 0.9500 . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C97 C99 1.57(7) . ?
C98 H98 0.9500 . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C101 H101 0.9500 . ?
C102 H102 0.9500 . ?
C104 H104 0.9500 . ?
N5 O26 1.2424 . ?
N5 O28 1.2526 . ?
N5 O30 1.2502 . ?
N11 O40 1.2503 . ?
N11 O42 1.2530 . ?
N11 O43 1.2408 . ?
O11 N23 1.23(6) . ?
O23 N23 1.20(6) . ?
O3 N23 1.18(6) . ?
N3 O25 1.2404 . ?
N3 O13 1.2529 . ?
N3 O27 1.2514 . ?
O29 N25 1.22(5) . ?
O15 N25 1.15(5) . ?
O31 N25 1.28(5) . ?
N13 O17 1.2529 . ?
N13 O35 1.2404 . ?
N13 O9 1.2510 . ?
N27 O37 1.2527 . ?
N27 O41 1.2409 . ?
N27 O39 1.2513 . ?
N21 O36 1.2528 . ?
N21 O34 1.2405 . ?
N21 O38 1.2509 . ?

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
Ag3 Au2 Ag1 143.74(19) . . ?
P1 Au2 Ag1 88.8(5) . . ?
P1 Au2 Ag3 88.5(4) . . ?
P3 Au2 Ag1 86.4(4) . . ?
P3 Au2 Ag3 91.5(4) . . ?
P3 Au2 P1 171.9(6) . . ?
Ag6 Au5 Ag4 131.18(19) . . ?
P2 Au5 Ag4 89.5(5) . . ?
P2 Au5 Ag6 88.8(5) . . ?
P2 Au5 P4 177.6(6) . . ?
P4 Au5 Ag4 89.3(5) . . ?
P4 Au5 Ag6 90.3(5) . . ?
O10 Ag1 Au2 97.3(9) . . ?
N1 Ag1 Au2 81.1(11) . . ?
N1 Ag1 O10 115.6(15) . . ?
N18 Ag1 Au2 102.9(12) . . ?
N18 Ag1 O10 109.6(15) . . ?
N18 Ag1 N1 133.7(17) . . ?
O6 Ag3 Au2 94.6(9) . . ?
N6 Ag3 Au2 98.6(12) . . ?
N6 Ag3 O6 103.7(15) . . ?
N16 Ag3 Au2 81.0(14) . . ?
N16 Ag3 O6 110.3(17) . . ?
N16 Ag3 N6 146.0(19) . . ?
N8 Ag4 Au5 97.9(12) . . ?
N12 Ag4 Au5 96.6(12) . . ?
N12 Ag4 N8 165.0(17) . . ?
N10 Ag6 Au5 100.0(12) . . ?
N10 Ag6 N14 156.8(18) . . ?
N14 Ag6 Au5 93.5(12) . . ?
C17 P1 Au2 115(2) . . ?
C17 P1 C25 104(3) . . ?
C17 P1 C63 109(3) . . ?
C25 P1 Au2 109(2) . . ?
C25 P1 C63 106(3) . . ?
C63 P1 Au2 113(2) . . ?
C4 P2 Au5 115(2) . . ?
C4 P2 C28 105(3) . . ?
C4 P2 C52 107(3) . . ?
C28 P2 Au5 113(2) . . ?
C28 P2 C52 102(3) . . ?
C52 P2 Au5 114.2(19) . . ?
C14 P3 Au2 110.0(19) . . ?
C40 P3 Au2 120(2) . . ?
C40 P3 C14 101(3) . . ?
C74 P3 Au2 115(2) . . ?
C74 P3 C14 104(3) . . ?
C74 P3 C40 106(3) . . ?
C6 P4 Au5 111.5(19) . . ?
C48 P4 Au5 117(2) . . ?
C48 P4 C6 102(3) . . ?
C48 P4 C94 107(3) . . ?
C94 P4 Au5 115(2) . . ?
C94 P4 C6 103(3) . . ?
N4 O6 Ag3 110(4) . . ?
N20 O10 Ag1 108(2) . . ?
C7 N1 Ag1 119(4) . . ?
C62 N1 Ag1 118(4) . . ?
C62 N1 C7 122(5) . . ?
O1 N4 O4 116(6) . . ?
O6 N4 O1 121(6) . . ?
O6 N4 O4 120(6) . . ?
C39 N6 Ag3 121(4) . . ?
C39 N6 C91 109(5) . . ?
C91 N6 Ag3 130(4) . . ?
C8 N8 Ag4 115(4) . . ?
C61 N8 Ag4 127(4) . . ?
C61 N8 C8 118(5) . . ?
C43 N10 Ag6 128(4) . . ?
C90 N10 Ag6 110(4) . . ?
C90 N10 C43 121(5) . . ?
C38 N12 Ag4 132(4) . . ?
C68 N12 Ag4 125(4) . . ?
C68 N12 C38 103(5) . . ?
C31 N14 Ag6 125(4) . . ?
C36 N14 Ag6 106(5) . . ?
C36 N14 C31 128(6) . . ?
C30 N16 Ag3 125(4) . . ?
C30 N16 C77 107(5) . . ?
C77 N16 Ag3 127(4) . . ?
C41 N18 Ag1 120(4) . . ?
C85 N18 Ag1 126(4) . . ?
C85 N18 C41 114(5) . . ?
O8 N20 O12 121(2) . . ?
O10 N20 O8 120(2) . . ?
O10 N20 O12 119(2) . . ?
P2 C4 H4A 108.7 . . ?
P2 C4 H4B 108.7 . . ?
H4A C4 H4B 107.6 . . ?
C17 C4 P2 114(4) . . ?
C17 C4 H4A 108.7 . . ?
C17 C4 H4B 108.7 . . ?
P4 C6 H6A 109.2 . . ?
P4 C6 H6B 109.2 . . ?
H6A C6 H6B 107.9 . . ?
C38 C6 P4 112(4) . . ?
C38 C6 H6A 109.2 . . ?
C38 C6 H6B 109.2 . . ?
N1 C7 C25 111(5) . . ?
C100 C7 N1 117(6) . . ?
C100 C7 C25 131(6) . . ?
N8 C8 H8 118.6 . . ?
N8 C8 C92 123(6) . . ?
C92 C8 H8 118.6 . . ?
C59 C9 H9 120.2 . . ?
C59 C9 C90 120(6) . . ?
C90 C9 H9 120.2 . . ?
P3 C14 H14A 109.3 . . ?
P3 C14 H14B 109.3 . . ?
H14A C14 H14B 107.9 . . ?
C30 C14 P3 112(4) . . ?
C30 C14 H14A 109.3 . . ?
C30 C14 H14B 109.3 . . ?
C57 C15 H15 122.0 . . ?
C57 C15 C92 116(6) . . ?
C92 C15 H15 122.0 . . ?
P1 C17 H17A 107.6 . . ?
P1 C17 H17B 107.6 . . ?
C4 C17 P1 119(4) . . ?
C4 C17 H17A 107.6 . . ?
C4 C17 H17B 107.6 . . ?
H17A C17 H17B 107.0 . . ?
C39 C20 H20 122.7 . . ?
C39 C20 C95 115(6) . . ?
C95 C20 H20 122.7 . . ?
C65 C23 H23 125.5 . . ?
C68 C23 H23 125.5 . . ?
C68 C23 C65 109(5) . . ?
P1 C25 H25A 110.5 . . ?
P1 C25 H25B 110.5 . . ?
C7 C25 P1 106(4) . . ?
C7 C25 H25A 110.5 . . ?
C7 C25 H25B 110.5 . . ?
H25A C25 H25B 108.7 . . ?
P2 C28 H28A 108.7 . . ?
P2 C28 H28B 108.7 . . ?
H28A C28 H28B 107.6 . . ?
C43 C28 P2 114(4) . . ?
C43 C28 H28A 108.7 . . ?
C43 C28 H28B 108.7 . . ?
N16 C30 C14 116(6) . . ?
C79 C30 N16 125(6) . . ?
C79 C30 C14 118(6) . . ?
N14 C31 C48 121(6) . . ?
N14 C31 C82 122(6) . . ?
C82 C31 C48 117(6) . . ?
N14 C36 H36 122.4 . . ?
N14 C36 C66 115(6) . . ?
C66 C36 H36 122.4 . . ?
N12 C38 C6 110(5) . . ?
C42 C38 N12 132(6) . . ?
C42 C38 C6 119(5) . . ?
N6 C39 H39 116.5 . . ?
C20 C39 N6 127(6) . . ?
C20 C39 H39 116.5 . . ?
P3 C40 H40A 107.8 . . ?
P3 C40 H40B 107.8 . . ?
H40A C40 H40B 107.1 . . ?
C85 C40 P3 118(4) . . ?
C85 C40 H40A 107.8 . . ?
C85 C40 H40B 107.8 . . ?
N18 C41 H41 117.9 . . ?
C72 C41 N18 124(6) . . ?
C72 C41 H41 117.9 . . ?
C38 C42 H42 122.5 . . ?
C38 C42 C65 115(6) . . ?
C65 C42 H42 122.5 . . ?
N10 C43 C28 113(5) . . ?
C76 C43 N10 120(5) . . ?
C76 C43 C28 127(6) . . ?
P4 C48 H48A 108.7 . . ?
P4 C48 H48B 108.7 . . ?
C31 C48 P4 114(4) . . ?
C31 C48 H48A 108.7 . . ?
C31 C48 H48B 108.7 . . ?
H48A C48 H48B 107.6 . . ?
P2 C52 H52A 107.7 . . ?
P2 C52 H52B 107.7 . . ?
H52A C52 H52B 107.1 . . ?
C61 C52 P2 119(4) . . ?
C61 C52 H52A 107.7 . . ?
C61 C52 H52B 107.7 . . ?
C62 C55 H55 118.6 . . ?
C62 C55 C103 123(6) . . ?
C103 C55 H55 118.6 . . ?
C15 C57 H57 116.7 . . ?
C15 C57 C61 127(7) . . ?
C61 C57 H57 116.7 . . ?
C9 C59 H59 121.2 . . ?
C76 C59 C9 118(6) . . ?
C76 C59 H59 121.2 . . ?
N8 C61 C52 118(6) . . ?
N8 C61 C57 118(6) . . ?
C57 C61 C52 124(6) . . ?
N1 C62 H62 122.0 . . ?
C55 C62 N1 116(6) . . ?
C55 C62 H62 122.0 . . ?
P1 C63 H63A 108.0 . . ?
P1 C63 H63B 108.0 . . ?
H63A C63 H63B 107.2 . . ?
C91 C63 P1 117(4) . . ?
C91 C63 H63A 108.0 . . ?
C91 C63 H63B 108.0 . . ?
C77 C64 H64 119.3 . . ?
C77 C64 C78 121(6) . . ?
C78 C64 H64 119.3 . . ?
C23 C65 H65 119.2 . . ?
C42 C65 C23 122(6) . . ?
C42 C65 H65 119.2 . . ?
C36 C66 H66 117.9 . . ?
C84 C66 C36 124(6) . . ?
C84 C66 H66 117.9 . . ?
N12 C68 C23 140(6) . . ?
N12 C68 H68 110.2 . . ?
C23 C68 H68 110.2 . . ?
C41 C72 H72 119.4 . . ?
C41 C72 C88 121(6) . . ?
C88 C72 H72 119.4 . . ?
P3 C74 H74A 107.5 . . ?
P3 C74 H74B 107.5 . . ?
H74A C74 H74B 107.0 . . ?
C94 C74 P3 119(4) . . ?
C94 C74 H74A 107.5 . . ?
C94 C74 H74B 107.5 . . ?
C91 C75 H75 123.1 . . ?
C95 C75 H75 123.1 . . ?
C95 C75 C91 114(7) . . ?
C43 C76 C59 122(6) . . ?
C43 C76 H76 118.8 . . ?
C59 C76 H76 118.8 . . ?
N16 C77 H77 114.8 . . ?
C64 C77 N16 130(6) . . ?
C64 C77 H77 114.8 . . ?
C64 C78 H78 123.7 . . ?
C64 C78 C79 113(6) . . ?
C79 C78 H78 123.7 . . ?
C30 C79 C78 123(6) . . ?
C30 C79 H79 118.7 . . ?
C78 C79 H79 118.7 . . ?
C31 C82 H82 122.5 . . ?
C31 C82 C84 115(6) . . ?
C84 C82 H82 122.5 . . ?
C66 C84 C82 115(6) . . ?
C66 C84 H84 122.4 . . ?
C82 C84 H84 122.4 . . ?
N18 C85 C40 123(5) . . ?
N18 C85 C86 121(6) . . ?
C86 C85 C40 115(5) . . ?
C85 C86 H86 119.4 . . ?
C88 C86 C85 121(6) . . ?
C88 C86 H86 119.4 . . ?
C72 C88 H88 121.3 . . ?
C86 C88 C72 117(6) . . ?
C86 C88 H88 121.3 . . ?
N10 C90 C9 118(5) . . ?
N10 C90 H90 120.9 . . ?
C9 C90 H90 120.9 . . ?
N6 C91 C63 108(5) . . ?
C75 C91 N6 128(6) . . ?
C75 C91 C63 123(6) . . ?
C8 C92 C15 117(6) . . ?
C8 C92 H92 121.4 . . ?
C15 C92 H92 121.4 . . ?
P4 C94 H94A 108.9 . . ?
P4 C94 H94B 108.9 . . ?
C74 C94 P4 113(4) . . ?
C74 C94 H94A 108.9 . . ?
C74 C94 H94B 108.9 . . ?
H94A C94 H94B 107.7 . . ?
C20 C95 H95 116.4 . . ?
C75 C95 C20 127(6) . . ?
C75 C95 H95 116.4 . . ?
C7 C100 H100 119.2 . . ?
C103 C100 C7 122(6) . . ?
C103 C100 H100 119.2 . . ?
C55 C103 H103 120.2 . . ?
C100 C103 C55 120(6) . . ?
C100 C103 H103 120.2 . . ?
Ag9 Au8 Ag7 145.3(2) . . ?
P5 Au8 Ag7 90.6(4) . . ?
P5 Au8 Ag9 87.0(4) . . ?
P7 Au8 Ag7 88.5(5) . . ?
P7 Au8 Ag9 88.4(4) . . ?
P7 Au8 P5 170.4(6) . . ?
Ag10 Au11 Ag12 125.43(19) . . ?
P6 Au11 Ag10 90.2(5) . . ?
P6 Au11 Ag12 89.4(5) . . ?
P6 Au11 P8 175.4(6) . . ?
P8 Au11 Ag10 88.5(4) . . ?
P8 Au11 Ag12 87.8(4) . . ?
O20 Ag7 Au8 90.8(11) . . ?
N15 Ag7 Au8 96.6(13) . . ?
N15 Ag7 O20 100.5(17) . . ?
N15 Ag7 N9 150(2) . . ?
N9 Ag7 Au8 80.4(13) . . ?
N9 Ag7 O20 109.3(18) . . ?
O14 Ag9 Au8 110.6(9) . . ?
N2 Ag9 Au8 81.5(14) . . ?
N2 Ag9 O14 124.4(18) . . ?
N17 Ag9 Au8 105.5(12) . . ?
N17 Ag9 O14 98.4(16) . . ?
N17 Ag9 N2 132(2) . . ?
N26 Ag10 Au11 95.6(13) . . ?
N26 Ag10 N28 158.1(18) . . ?
N28 Ag10 Au11 102.1(13) . . ?
N22 Ag12 Au11 100.9(15) . . ?
N19 Ag12 Au11 92.9(16) . . ?
N19 Ag12 N22 166(2) . . ?
C49 P5 Au8 117(2) . . ?
C49 P5 C56 101(3) . . ?
C49 P5 C99 106(3) . . ?
C56 P5 Au8 111(2) . . ?
C56 P5 C99 105(3) . . ?
C99 P5 Au8 116(2) . . ?
C18 P6 Au11 113(2) . . ?
C18 P6 C97 102(3) . . ?
C35 P6 Au11 119(2) . . ?
C35 P6 C18 102(3) . . ?
C35 P6 C97 101(3) . . ?
C97 P6 Au11 117(2) . . ?
C45 P7 Au8 112(2) . . ?
C45 P7 C47 104(3) . . ?
C47 P7 Au8 122(2) . . ?
C73 P7 Au8 112(2) . . ?
C73 P7 C45 106(3) . . ?
C73 P7 C47 100(3) . . ?
C1 P8 Au11 118(2) . . ?
C1 P8 C19 102(3) . . ?
C1 P8 C29 103(3) . . ?
C19 P8 Au11 113.6(19) . . ?
C29 P8 Au11 113(2) . . ?
C29 P8 C19 105(3) . . ?
N24 O14 Ag9 102(2) . . ?
N29 O20 Ag7 116(3) . . ?
C3 N22 Ag12 121(5) . . ?
C3 N22 C104 129(6) . . ?
C104 N22 Ag12 110(4) . . ?
O14 N24 O22 120(2) . . ?
O14 N24 O24 118(2) . . ?
O22 N24 O24 121(2) . . ?
C33 N26 Ag10 117(4) . . ?
C34 N26 Ag10 127(4) . . ?
C34 N26 C33 115(5) . . ?
C24 N28 Ag10 123(4) . . ?
C96 N28 Ag10 118(5) . . ?
C96 N28 C24 119(6) . . ?
O16 N29 O18 120(3) . . ?
O16 N29 O20 115(3) . . ?
O18 N29 O20 121(3) . . ?
C93 N15 Ag7 124(4) . . ?
C93 N15 C98 118(5) . . ?
C98 N15 Ag7 117(4) . . ?
C37 N2 Ag9 123(4) . . ?
C71 N2 Ag9 129(5) . . ?
C71 N2 C37 107(5) . . ?
C12 N17 Ag9 120(4) . . ?
C12 N17 C51 116(5) . . ?
C51 N17 Ag9 123(4) . . ?
C54 N9 Ag7 125(5) . . ?
C54 N9 C69 118(6) . . ?
C69 N9 Ag7 117(4) . . ?
C58 N19 Ag12 119(5) . . ?
C80 N19 Ag12 126(5) . . ?
C80 N19 C58 114(6) . . ?
P8 C1 H1A 108.3 . . ?
P8 C1 H1B 108.3 . . ?
H1A C1 H1B 107.4 . . ?
C24 C1 P8 116(4) . . ?
C24 C1 H1A 108.3 . . ?
C24 C1 H1B 108.3 . . ?
C83 C2 H2 123.3 . . ?
C83 C2 C98 113(6) . . ?
C98 C2 H2 123.3 . . ?
N22 C3 C11 117(6) . . ?
N22 C3 C29 124(6) . . ?
C11 C3 C29 119(6) . . ?
C60 C5 H5 122.4 . . ?
C60 C5 C69 115(6) . . ?
C69 C5 H5 122.4 . . ?
C13 C10 H10 121.1 . . ?
C13 C10 C44 118(6) . . ?
C44 C10 H10 121.1 . . ?
C3 C11 H11 122.1 . . ?
C67 C11 C3 116(6) . . ?
C67 C11 H11 122.1 . . ?
N17 C12 H12 118.7 . . ?
N17 C12 C21 123(6) . . ?
C21 C12 H12 118.7 . . ?
C10 C13 H13 117.9 . . ?
C10 C13 C33 124(7) . . ?
C33 C13 H13 117.9 . . ?
C22 C16 H16 125.1 . . ?
C22 C16 C53 110(6) . . ?
C53 C16 H16 125.1 . . ?
P6 C18 H18A 109.5 . . ?
P6 C18 H18B 109.5 . . ?
H18A C18 H18B 108.1 . . ?
C80 C18 P6 111(4) . . ?
C80 C18 H18A 109.5 . . ?
C80 C18 H18B 109.5 . . ?
P8 C19 H19A 108.5 . . ?
P8 C19 H19B 108.5 . . ?
H19A C19 H19B 107.5 . . ?
C47 C19 P8 115(4) . . ?
C47 C19 H19A 108.5 . . ?
C47 C19 H19B 108.5 . . ?
C12 C21 H21 119.6 . . ?
C12 C21 C101 121(6) . . ?
C101 C21 H21 119.6 . . ?
C16 C22 H22 117.7 . . ?
C16 C22 C24 125(6) . . ?
C24 C22 H22 117.7 . . ?
N28 C24 C1 123(6) . . ?
C22 C24 N28 121(6) . . ?
C22 C24 C1 116(5) . . ?
C27 C26 H26 116.0 . . ?
C70 C26 H26 116.0 . . ?
C70 C26 C27 128(6) . . ?
C26 C27 H27 125.9 . . ?
C26 C27 C71 108(6) . . ?
C71 C27 H27 125.9 . . ?
P8 C29 H29A 109.0 . . ?
P8 C29 H29B 109.0 . . ?
C3 C29 P8 113(4) . . ?
C3 C29 H29A 109.0 . . ?
C3 C29 H29B 109.0 . . ?
H29A C29 H29B 107.8 . . ?
C67 C32 H32 119.4 . . ?
C104 C32 H32 119.4 . . ?
C104 C32 C67 121(6) . . ?
N26 C33 H33 119.4 . . ?
C13 C33 N26 121(6) . . ?
C13 C33 H33 119.4 . . ?
N26 C34 C35 123(6) . . ?
N26 C34 C44 125(6) . . ?
C44 C34 C35 111(5) . . ?
P6 C35 H35A 110.5 . . ?
P6 C35 H35B 110.5 . . ?
C34 C35 P6 106(4) . . ?
C34 C35 H35A 110.5 . . ?
C34 C35 H35B 110.5 . . ?
H35A C35 H35B 108.7 . . ?
N2 C37 H37 115.4 . . ?
C70 C37 N2 129(6) . . ?
C70 C37 H37 115.4 . . ?
C10 C44 H44 121.8 . . ?
C34 C44 C10 116(6) . . ?
C34 C44 H44 121.8 . . ?
P7 C45 H45A 107.7 . . ?
P7 C45 H45B 107.7 . . ?
H45A C45 H45B 107.1 . . ?
C71 C45 P7 118(4) . . ?
C71 C45 H45A 107.7 . . ?
C71 C45 H45B 107.7 . . ?
C83 C46 H46 118.7 . . ?
C83 C46 C93 123(6) . . ?
C93 C46 H46 118.7 . . ?
P7 C47 H47A 108.9 . . ?
P7 C47 H47B 108.9 . . ?
C19 C47 P7 113(4) . . ?
C19 C47 H47A 108.9 . . ?
C19 C47 H47B 108.9 . . ?
H47A C47 H47B 107.7 . . ?
P5 C49 H49A 105.7 . . ?
P5 C49 H49B 105.7 . . ?
H49A C49 H49B 106.1 . . ?
C51 C49 P5 127(4) . . ?
C51 C49 H49A 105.7 . . ?
C51 C49 H49B 105.7 . . ?
C54 C50 H50 118.0 . . ?
C54 C50 C60 124(6) . . ?
C60 C50 H50 118.0 . . ?
C49 C51 N17 121(6) . . ?
C87 C51 N17 118(5) . . ?
C87 C51 C49 121(6) . . ?
C16 C53 H53 117.2 . . ?
C16 C53 C96 126(6) . . ?
C96 C53 H53 117.2 . . ?
N9 C54 C56 117(6) . . ?
C50 C54 N9 117(6) . . ?
C50 C54 C56 123(6) . . ?
P5 C56 H56A 107.8 . . ?
P5 C56 H56B 107.8 . . ?
C54 C56 P5 118(4) . . ?
C54 C56 H56A 107.8 . . ?
C54 C56 H56B 107.8 . . ?
H56A C56 H56B 107.2 . . ?
N19 C58 H58 117.6 . . ?
C89 C58 N19 125(6) . . ?
C89 C58 H58 117.6 . . ?
C5 C60 C50 118(6) . . ?
C5 C60 H60 120.9 . . ?
C50 C60 H60 120.9 . . ?
C11 C67 H67 120.1 . . ?
C32 C67 C11 120(6) . . ?
C32 C67 H67 120.1 . . ?
N9 C69 C5 127(6) . . ?
N9 C69 H69 116.3 . . ?
C5 C69 H69 116.3 . . ?
C26 C70 H70 122.0 . . ?
C37 C70 C26 116(7) . . ?
C37 C70 H70 122.0 . . ?
N2 C71 C27 130(6) . . ?
N2 C71 C45 110(5) . . ?
C27 C71 C45 118(5) . . ?
P7 C73 H73A 105.0 . . ?
P7 C73 H73B 105.0 . . ?
H73A C73 H73B 105.9 . . ?
C93 C73 P7 129(5) . . ?
C93 C73 H73A 105.0 . . ?
C93 C73 H73B 105.0 . . ?
N19 C80 C18 118(6) . . ?
N19 C80 C102 121(6) . . ?
C102 C80 C18 121(6) . . ?
C89 C81 H81 123.8 . . ?
C102 C81 H81 123.8 . . ?
C102 C81 C89 112(6) . . ?
C2 C83 H83 118.8 . . ?
C46 C83 C2 122(6) . . ?
C46 C83 H83 118.8 . . ?
C51 C87 H87 117.3 . . ?
C101 C87 C51 125(7) . . ?
C101 C87 H87 117.3 . . ?
C58 C89 C81 122(6) . . ?
C58 C89 H89 118.9 . . ?
C81 C89 H89 118.9 . . ?
N15 C93 C46 117(6) . . ?
N15 C93 C73 115(6) . . ?
C73 C93 C46 128(6) . . ?
N28 C96 C53 120(6) . . ?
N28 C96 H96 120.1 . . ?
C53 C96 H96 120.1 . . ?
P6 C97 H97A 109.4 . . ?
P6 C97 H97B 109.4 . . ?
H97A C97 H97B 108.0 . . ?
C99 C97 P6 111(4) . . ?
C99 C97 H97A 109.4 . . ?
C99 C97 H97B 109.4 . . ?
N15 C98 C2 125(6) . . ?
N15 C98 H98 117.5 . . ?
C2 C98 H98 117.5 . . ?
P5 C99 H99A 107.2 . . ?
P5 C99 H99B 107.2 . . ?
C97 C99 P5 120(4) . . ?
C97 C99 H99A 107.2 . . ?
C97 C99 H99B 107.2 . . ?
H99A C99 H99B 106.9 . . ?
C21 C101 H101 121.7 . . ?
C87 C101 C21 117(6) . . ?
C87 C101 H101 121.7 . . ?
C80 C102 H102 117.4 . . ?
C81 C102 C80 125(6) . . ?
C81 C102 H102 117.4 . . ?
N22 C104 C32 114(6) . . ?
N22 C104 H104 122.9 . . ?
C32 C104 H104 122.9 . . ?
O26 N5 O28 120.0 . . ?
O26 N5 O30 119.9 . . ?
O30 N5 O28 120.1 . . ?
O40 N11 O42 120.1 . . ?
O43 N11 O40 120.0 . . ?
O43 N11 O42 119.9 . . ?
O23 N23 O11 114(7) . . ?
O3 N23 O11 117(7) . . ?
O3 N23 O23 129(7) . . ?
O25 N3 O13 119.9 . . ?
O25 N3 O27 120.0 . . ?
O27 N3 O13 120.1 . . ?
O29 N25 O31 116(6) . . ?
O15 N25 O29 133(6) . . ?
O15 N25 O31 111(6) . . ?
O35 N13 O17 119.9 . . ?
O35 N13 O9 120.0 . . ?
O9 N13 O17 120.1 . . ?
O41 N27 O37 120.0 . . ?
O41 N27 O39 120.0 . . ?
O39 N27 O37 120.1 . . ?
O34 N21 O36 119.9 . . ?
O34 N21 O38 120.0 . . ?
O38 N21 O36 120.1 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT201_anb542-2            
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 138 Report
RESPONSE: Only heavy Au, Ag and P atoms were refined in anisotropic
approximation to maintain reasonable data-to-parameter ratio.
;
_vrf_PLAT430_anb542-2            
;
PROBLEM: Short Inter D...A Contact O13 ..O32 . 1.84 Ang.
RESPONSE: The oxygen atoms belong to hydrate molecules;
the corresponding hydrogens were not located but included in the
formula of the compound.
;
_vrf_THETM01_anb542-2            
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
Calculated sin(theta_max)/wavelength = 0.3846 and related problems
RESPONSE: The compound tends form small-size needle-shaped crystals,
which give poor diffraction. Thus, only high-angle data above d>1.3 Ang
were used in the refinement.
;
####################################################################### 
# 
# 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_509_sq
_database_code_depnum_ccdc_archive 'CCDC 2265013'
loop_
_audit_author_name
_audit_author_address
'Irina Bagryanskaya'
;Institute of Organic Chemistry, Novosibirsk
Russia
;
_audit_update_record             
;
2023-05-24 deposited with the CCDC.	2025-06-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        
'Complex gold(I) phenylacetylide with  1,2-bis[bis(pyridin-2-ylmethyl)phosphino]ethane'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C42 H38 Au2 N4 P2'
_chemical_formula_sum            'C42 H38 Au2 N4 P2'
_chemical_formula_weight         1054.63

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   25.724(7)
_cell_length_b                   13.051(3)
_cell_length_c                   26.005(6)
_cell_angle_alpha                90
_cell_angle_beta                 102.025(13)
_cell_angle_gamma                90
_cell_volume                     8539(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8351
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      22.42

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_F_000             4048
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    6.971
_shelx_estimated_absorpt_T_min   0.167
_shelx_estimated_absorpt_T_max   0.722
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4221
_exptl_absorpt_correction_T_max  0.8620
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41762
_diffrn_reflns_av_unetI/netI     0.0898
_diffrn_reflns_av_R_equivalents  0.1093
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.000
_diffrn_reflns_theta_max         26.283
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8577
_reflns_number_gt                4609
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0474P)²+250.0453P] 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_number_reflns         8577
_refine_ls_number_parameters     379
_refine_ls_number_restraints     181
_refine_ls_R_factor_all          0.1484
_refine_ls_R_factor_gt           0.0732
_refine_ls_wR_factor_ref         0.1936
_refine_ls_wR_factor_gt          0.1561
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001

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 -0.05335(2) 0.81135(5) 0.01188(3) 0.0703(2) Uani 1 1 d . . . . .
Au2 Au 0.13011(3) 1.07187(5) -0.06679(3) 0.0726(2) Uani 1 1 d . . . . .
P1 P 0.13710(17) 0.9403(4) -0.0091(2) 0.0776(13) Uani 1 1 d . . . . .
P2 P 0.01608(17) 0.8354(3) 0.07959(19) 0.0714(12) Uani 1 1 d . . . . .
C6 C 0.0478(6) 0.9358(14) 0.2126(8) 0.151(6) Uani 1 1 d G U . . .
H6A H 0.014489 0.913045 0.216208 0.181 Uiso 1 1 calc R U . . .
C1 C 0.0564(6) 0.9623(14) 0.1633(6) 0.147(6) Uani 1 1 d G U . . .
N1 N 0.1062(7) 0.9964(14) 0.1578(5) 0.169(6) Uani 1 1 d G U . . .
C3 C 0.1473(5) 1.0040(15) 0.2018(8) 0.178(6) Uani 1 1 d G U . . .
H3A H 0.180647 1.026780 0.198139 0.213 Uiso 1 1 calc R U . . .
C4 C 0.1388(7) 0.9775(15) 0.2511(6) 0.173(6) Uani 1 1 d G U . . .
H4A H 0.166306 0.982551 0.280468 0.208 Uiso 1 1 calc R U . . .
C5 C 0.0890(8) 0.9434(15) 0.2565(5) 0.164(6) Uani 1 1 d G U . . .
H5A H 0.083228 0.925683 0.289504 0.197 Uiso 1 1 calc R U . . .
C7 C 0.0208(5) 0.6320(7) 0.1059(4) 0.071(4) Uani 1 1 d G . . . .
N2 N 0.0684(4) 0.5875(11) 0.1002(5) 0.106(5) Uani 1 1 d G . . . .
C9 C 0.0685(6) 0.4896(11) 0.0792(6) 0.131(9) Uani 1 1 d G . . . .
H9A H 0.100374 0.459859 0.075430 0.158 Uiso 1 1 calc R U . . .
C10 C 0.0211(8) 0.4361(8) 0.0640(6) 0.135(9) Uani 1 1 d G . . . .
H10A H 0.021217 0.370528 0.049945 0.162 Uiso 1 1 calc R U . . .
C11 C -0.0265(6) 0.4805(9) 0.0696(6) 0.127(8) Uani 1 1 d G . . . .
H11A H -0.058215 0.444684 0.059428 0.152 Uiso 1 1 calc R U . . .
C12 C -0.0266(4) 0.5784(9) 0.0906(5) 0.094(6) Uani 1 1 d G . . . .
H12A H -0.058489 0.608170 0.094396 0.113 Uiso 1 1 calc R U . . .
C18 C 0.1210(7) 0.8063(18) -0.1356(10) 0.210(7) Uani 1 1 d G U . . .
H18A H 0.155498 0.817339 -0.140070 0.252 Uiso 1 1 calc R U . . .
C13 C 0.1106(8) 0.8027(17) -0.0853(8) 0.185(7) Uani 1 1 d G U . . .
N3 N 0.0590(10) 0.7861(17) -0.0786(7) 0.196(7) Uani 1 1 d G U . . .
C15 C 0.0179(7) 0.7732(18) -0.1222(10) 0.204(7) Uani 1 1 d G U . . .
H15A H -0.016589 0.762096 -0.117666 0.245 Uiso 1 1 calc R U . . .
C16 C 0.0283(9) 0.7768(18) -0.1725(8) 0.213(8) Uani 1 1 d G U . . .
H16A H 0.000848 0.768108 -0.201623 0.256 Uiso 1 1 calc R U . . .
C17 C 0.0799(11) 0.7933(19) -0.1792(7) 0.219(8) Uani 1 1 d G U . . .
H17A H 0.086891 0.795729 -0.212826 0.263 Uiso 1 1 calc R U . . .
N4 N 0.2733(5) 0.9292(7) 0.0211(7) 0.137(5) Uani 1 1 d G U . . .
C19 C 0.2384(4) 0.9980(10) 0.0367(6) 0.117(6) Uani 1 1 d G U . . .
C20 C 0.2492(5) 1.1024(9) 0.0379(6) 0.102(6) Uani 1 1 d G . . . .
H20A H 0.225832 1.148413 0.048331 0.123 Uiso 1 1 calc R U . . .
C21 C 0.2951(5) 1.1380(7) 0.0235(6) 0.116(8) Uani 1 1 d G . . . .
H21A H 0.302379 1.207850 0.024298 0.140 Uiso 1 1 calc R U . . .
C22 C 0.3301(4) 1.0692(11) 0.0079(6) 0.116(7) Uani 1 1 d G . . . .
H22A H 0.360760 1.093045 -0.001736 0.139 Uiso 1 1 calc R U . . .
C23 C 0.3192(5) 0.9648(10) 0.0067(6) 0.149(6) Uani 1 1 d G U . . .
H23A H 0.342594 0.918803 -0.003737 0.178 Uiso 1 1 calc R U . . .
C25 C -0.1733(7) 0.7384(15) -0.1407(6) 0.137(5) Uani 1 1 d G U . . .
C26 C -0.1569(6) 0.7520(16) -0.1879(8) 0.164(6) Uani 1 1 d G U . . .
H26A H -0.122409 0.773742 -0.187727 0.197 Uiso 1 1 calc R U . . .
C27 C -0.1919(8) 0.7330(17) -0.2353(6) 0.178(6) Uani 1 1 d G U . . .
H27A H -0.180901 0.742096 -0.266895 0.213 Uiso 1 1 calc R U . . .
C28 C -0.2434(7) 0.7005(16) -0.2356(6) 0.178(6) Uani 1 1 d G U . . .
H28A H -0.266877 0.687839 -0.267329 0.214 Uiso 1 1 calc R U . . .
C29 C -0.2599(6) 0.6870(15) -0.1884(8) 0.171(6) Uani 1 1 d G U . . .
H29A H -0.294362 0.665228 -0.188596 0.205 Uiso 1 1 calc R U . . .
C30 C -0.2249(7) 0.7059(15) -0.1410(6) 0.157(5) Uani 1 1 d G U . . .
H30A H -0.235870 0.696873 -0.109427 0.188 Uiso 1 1 calc R U . . .
C36 C 0.1577(7) 1.4165(16) -0.1740(7) 0.185(6) Uani 1 1 d G U . . .
H36A H 0.186045 1.409210 -0.145481 0.222 Uiso 1 1 calc R U . . .
C31 C 0.1164(9) 1.3457(13) -0.1821(7) 0.152(5) Uani 1 1 d G U . . .
C32 C 0.0741(7) 1.3566(14) -0.2248(8) 0.170(6) Uani 1 1 d G U . . .
H32A H 0.046501 1.309209 -0.230200 0.204 Uiso 1 1 calc R U . . .
C33 C 0.0731(7) 1.4382(16) -0.2593(7) 0.186(6) Uani 1 1 d G U . . .
H33A H 0.044781 1.445425 -0.287849 0.224 Uiso 1 1 calc R U . . .
C34 C 0.1144(9) 1.5089(14) -0.2512(8) 0.201(6) Uani 1 1 d G U . . .
H34A H 0.113692 1.563533 -0.274314 0.242 Uiso 1 1 calc R U . . .
C35 C 0.1567(8) 1.4981(14) -0.2086(9) 0.204(6) Uani 1 1 d G U . . .
H35A H 0.184325 1.545428 -0.203130 0.244 Uiso 1 1 calc R U . . .
C37 C -0.1084(7) 0.7849(13) -0.0504(7) 0.082(4) Uani 1 1 d D U . . .
C38 C -0.1365(8) 0.7638(18) -0.0900(8) 0.105(5) Uani 1 1 d D U . . .
C39 C 0.1231(6) 1.1869(12) -0.1192(6) 0.073(4) Uani 1 1 d . U . . .
C40 C 0.1198(9) 1.2564(17) -0.1459(9) 0.106(4) Uani 1 1 d . U . . .
C41 C 0.0780(6) 0.9263(11) 0.0185(7) 0.079(5) Uani 1 1 d . . . . .
H41A H 0.072666 0.989755 0.036160 0.095 Uiso 1 1 calc R U . . .
H41B H 0.047640 0.917012 -0.010172 0.095 Uiso 1 1 calc R U . . .
C42 C 0.0789(6) 0.8374(13) 0.0578(8) 0.085(5) Uani 1 1 d . . . . .
H42A H 0.108097 0.846602 0.087758 0.102 Uiso 1 1 calc R U . . .
H42B H 0.084045 0.772851 0.041029 0.102 Uiso 1 1 calc R U . . .
C43 C 0.0238(7) 0.7339(12) 0.1298(6) 0.076(5) Uani 1 1 d . . . . .
H43A H 0.057845 0.741794 0.153923 0.091 Uiso 1 1 calc R U . . .
H43B H -0.003892 0.740766 0.149837 0.091 Uiso 1 1 calc R U . . .
C44 C 0.0143(7) 0.9516(12) 0.1175(7) 0.083(5) Uani 1 1 d . . . . .
H44A H 0.015552 1.009934 0.094641 0.100 Uiso 1 1 calc R U . . .
H44B H -0.019397 0.954205 0.128570 0.100 Uiso 1 1 calc R U . . .
C45 C 0.1486(7) 0.8182(14) -0.0358(9) 0.105(7) Uani 1 1 d . . . . .
H45A H 0.184533 0.815173 -0.041767 0.126 Uiso 1 1 calc R U . . .
H45B H 0.144573 0.764508 -0.011106 0.126 Uiso 1 1 calc R U . . .
C46 C 0.1907(6) 0.9546(14) 0.0490(7) 0.088(5) Uani 1 1 d . . . . .
H46A H 0.178571 0.998313 0.074317 0.106 Uiso 1 1 calc R U . . .
H46B H 0.198990 0.887974 0.065188 0.106 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 C37 1.95(2) . ?
Au1 P2 2.254(5) . ?
Au1 Au2 3.0717(11) 5_575 ?
Au2 C39 2.011(16) . ?
Au2 P1 2.262(4) . ?
P1 C45 1.787(19) . ?
P1 C41 1.820(14) . ?
P1 C46 1.831(18) . ?
P2 C42 1.821(16) . ?
P2 C44 1.814(17) . ?
P2 C43 1.842(15) . ?
C6 C1 1.3900 . ?
C6 C5 1.3900 . ?
C1 N1 1.3900 . ?
C1 C44 1.439(19) . ?
N1 C3 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C7 N2 1.3900 . ?
C7 C12 1.3900 . ?
C7 C43 1.465(18) . ?
N2 C9 1.3900 . ?
C9 C10 1.3900 . ?
C10 C11 1.3900 . ?
C11 C12 1.3900 . ?
C18 C13 1.3900 . ?
C18 C17 1.3900 . ?
C13 N3 1.3900 . ?
C13 C45 1.46(2) . ?
N3 C15 1.3900 . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
N4 C19 1.3900 . ?
N4 C23 1.3900 . ?
C19 C20 1.3900 . ?
C19 C46 1.446(17) . ?
C20 C21 1.3900 . ?
C21 C22 1.3900 . ?
C22 C23 1.3900 . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C25 C38 1.49(2) . ?
C26 C27 1.3900 . ?
C27 C28 1.3900 . ?
C28 C29 1.3900 . ?
C29 C30 1.3900 . ?
C36 C31 1.3900 . ?
C36 C35 1.3900 . ?
C31 C32 1.3900 . ?
C31 C40 1.49(2) . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C37 C38 1.161(10) . ?
C39 C40 1.13(2) . ?
C41 C42 1.54(2) . ?

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
C37 Au1 P2 174.3(5) . . ?
C37 Au1 Au2 92.8(5) . 5_575 ?
P2 Au1 Au2 92.82(12) . 5_575 ?
C39 Au2 P1 178.8(5) . . ?
C39 Au2 Au1 88.2(5) . 5_575 ?
P1 Au2 Au1 92.20(13) . 5_575 ?
C45 P1 C41 106.4(8) . . ?
C45 P1 C46 104.7(10) . . ?
C41 P1 C46 103.3(8) . . ?
C45 P1 Au2 114.6(7) . . ?
C41 P1 Au2 112.4(5) . . ?
C46 P1 Au2 114.4(6) . . ?
C42 P2 C44 106.3(8) . . ?
C42 P2 C43 105.0(8) . . ?
C44 P2 C43 103.1(8) . . ?
C42 P2 Au1 111.7(7) . . ?
C44 P2 Au1 115.8(6) . . ?
C43 P2 Au1 113.9(6) . . ?
C1 C6 C5 120.0 . . ?
C6 C1 N1 120.0 . . ?
C6 C1 C44 120.2(15) . . ?
N1 C1 C44 119.8(15) . . ?
C3 N1 C1 120.0 . . ?
N1 C3 C4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C4 C5 C6 120.0 . . ?
N2 C7 C12 120.0 . . ?
N2 C7 C43 117.0(11) . . ?
C12 C7 C43 123.0(11) . . ?
C7 N2 C9 120.0 . . ?
N2 C9 C10 120.0 . . ?
C11 C10 C9 120.0 . . ?
C10 C11 C12 120.0 . . ?
C11 C12 C7 120.0 . . ?
C13 C18 C17 120.0 . . ?
C18 C13 N3 120.0 . . ?
C18 C13 C45 126.9(18) . . ?
N3 C13 C45 113.1(18) . . ?
C15 N3 C13 120.0 . . ?
N3 C15 C16 120.0 . . ?
C17 C16 C15 120.0 . . ?
C16 C17 C18 120.0 . . ?
C19 N4 C23 120.0 . . ?
C20 C19 N4 120.0 . . ?
C20 C19 C46 123.7(12) . . ?
N4 C19 C46 116.2(12) . . ?
C21 C20 C19 120.0 . . ?
C20 C21 C22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C22 C23 N4 120.0 . . ?
C26 C25 C30 120.0 . . ?
C26 C25 C38 119.8(15) . . ?
C30 C25 C38 120.1(15) . . ?
C25 C26 C27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C27 C28 C29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C29 C30 C25 120.0 . . ?
C31 C36 C35 120.0 . . ?
C32 C31 C36 120.0 . . ?
C32 C31 C40 121.1(16) . . ?
C36 C31 C40 118.8(16) . . ?
C31 C32 C33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C35 C34 C33 120.0 . . ?
C34 C35 C36 120.0 . . ?
C38 C37 Au1 172.0(18) . . ?
C37 C38 C25 179(3) . . ?
C40 C39 Au2 175.2(18) . . ?
C39 C40 C31 178(3) . . ?
C42 C41 P1 116.0(11) . . ?
C41 C42 P2 109.0(11) . . ?
C7 C43 P2 111.3(11) . . ?
C1 C44 P2 115.5(13) . . ?
C13 C45 P1 109.4(15) . . ?
C19 C46 P1 112.6(12) . . ?

_refine_diff_density_max         1.782
_refine_diff_density_min         -1.162
_refine_diff_density_rms         0.170



####################################################################### 
# 
# 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_anb502
_database_code_depnum_ccdc_archive 'CCDC 2420290'
loop_
_audit_author_name
_audit_author_address
'Taisiya Sukhikh'
;NIIC SB RAS
Russia
;
_audit_update_record             
;
2025-01-29 deposited with the CCDC.	2025-06-16 downloaded from the CCDC.
;
_audit_creation_date             2023-09-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H84 Ag9 N20 O24 P6, N O3, 8(O H2)'
_chemical_formula_sum            'C78 H100 Ag9 N21 O35 P6'
_chemical_formula_weight         3048.43
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.358(2)
_cell_length_b                   19.231(2)
_cell_length_c                   27.464(3)
_cell_angle_alpha                90
_cell_angle_beta                 109.293(3)
_cell_angle_gamma                90
_cell_volume                     10646(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2364
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      22.09
_cell_measurement_theta_min      2.38
_shelx_estimated_absorpt_T_max   0.870
_shelx_estimated_absorpt_T_min   0.870
_exptl_absorpt_coefficient_mu    1.796
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.5431
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1106 before and 0.0593 after correction.
The Ratio of minimum to maximum transmission is 0.7289.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.902
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       cube
_exptl_crystal_F_000             6032
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0922
_diffrn_reflns_av_unetI/netI     0.1302
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            23081
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        24.428
_diffrn_reflns_theta_max         24.428
_diffrn_reflns_theta_min         2.110
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Incoatec HELIOS multilayer mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4802
_reflns_number_total             8594
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.020
_refine_diff_density_min         -1.079
_refine_diff_density_rms         0.162
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         8594
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.1320
_refine_ls_R_factor_gt           0.0597
_refine_ls_restrained_S_all      0.988
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0684P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1282
_refine_ls_wR_factor_ref         0.1552
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 N14-O2 \\sim N14-O17 \\sim N14-O9
 with sigma of 0.02
 O2-O17 \\sim O17-O9 \\sim O9-O2
 with sigma of 0.04
3. Restrained planarity
 O2, O9, O17, N14
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
O2 \\sim O9 \\sim O17 \\sim N14: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
Uiso(N14) = Uiso(O2) = Uiso(O17) = Uiso(O9)
5. Rigid body (RIGU) restrains
 O2, O9, O17, N14
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: N14(0.5) O2(0.5) O9(0.5) O17(0.5)
 Fixed Uiso: N14(0.1) O2(0.1) O9(0.1) O17(0.1)
7.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C15(H15A,H15B), C18(H18A,H18B), C26(H26A,H26B), C27(H27A,H27B),
 C29(H29A,H29B), C30(H30A,H30B), C35(H35A,H35B), C39(H39A,H39B)
7.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C11(H11), C13(H13),
 C14(H14), C17(H17), C19(H19), C21(H21), C22(H22), C24(H24), C25(H25), C28(H28),
  C31(H31), C32(H32), C33(H33), C34(H34), C36(H36), C37(H37), C38(H38)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.55381(5) 0.72091(4) 0.66426(3) 0.0348(2) Uani 1 1 d . . . . .
Ag2 Ag 0.47780(4) 0.72957(5) 0.55147(3) 0.0344(2) Uani 1 1 d . . . . .
Ag3 Ag 0.5000 0.44312(6) 0.7500 0.0328(3) Uani 1 2 d S T P . .
Ag4 Ag 0.68498(5) 0.79714(5) 0.69483(3) 0.0381(3) Uani 1 1 d . . . . .
Ag5 Ag 0.61701(5) 0.34562(5) 0.79028(3) 0.0363(2) Uani 1 1 d . . . . .
P1 P 0.61308(15) 0.62558(15) 0.64300(10) 0.0284(7) Uani 1 1 d . . . . .
P2 P 0.51830(14) 0.42894(15) 0.66911(10) 0.0269(7) Uani 1 1 d . . . . .
P3 P 0.50718(16) 0.83277(16) 0.67116(10) 0.0318(7) Uani 1 1 d . . . . .
N1 N 0.5659(5) 0.7172(5) 0.5296(3) 0.033(2) Uani 1 1 d . . . . .
N2 N 0.3899(5) 0.7517(5) 0.5725(3) 0.039(2) Uani 1 1 d . . . . .
N3 N 0.6374(5) 0.8713(5) 0.6349(3) 0.039(2) Uani 1 1 d . . . . .
N4 N 0.7292(5) 0.7088(5) 0.7429(3) 0.037(2) Uani 1 1 d . . . . .
N5 N 0.3563(4) 0.4285(5) 0.6517(3) 0.031(2) Uani 1 1 d . . . . .
N6 N 0.5838(4) 0.2763(5) 0.7241(3) 0.030(2) Uani 1 1 d . . . . .
C1 C 0.6007(5) 0.5395(5) 0.6674(4) 0.026(2) Uani 1 1 d . . . . .
H1A H 0.6348 0.5072 0.6635 0.031 Uiso 1 1 calc R U . . .
H1B H 0.6069 0.5432 0.7047 0.031 Uiso 1 1 calc R U . . .
C2 C 0.2704(6) 0.7785(7) 0.5854(4) 0.046(3) Uani 1 1 d . . . . .
H2 H 0.2283 0.7887 0.5885 0.055 Uiso 1 1 calc R U . . .
C3 C 0.5390(6) 0.1848(6) 0.6415(5) 0.042(3) Uani 1 1 d . . . . .
H3 H 0.5227 0.1537 0.6132 0.050 Uiso 1 1 calc R U . . .
C4 C 0.3041(6) 0.4696(6) 0.6483(4) 0.041(3) Uani 1 1 d . . . . .
H4 H 0.2841 0.4661 0.6744 0.050 Uiso 1 1 calc R U . . .
C5 C 0.3064(6) 0.5213(6) 0.5706(4) 0.041(3) Uani 1 1 d . . . . .
H5 H 0.2879 0.5520 0.5423 0.049 Uiso 1 1 calc R U . . .
C6 C 0.3218(6) 0.8242(6) 0.6045(4) 0.039(3) Uani 1 1 d . . . . .
H6 H 0.3166 0.8649 0.6225 0.047 Uiso 1 1 calc R U . . .
C7 C 0.7893(6) 0.6648(7) 0.8264(5) 0.049(4) Uani 1 1 d . . . . .
H7 H 0.8080 0.6726 0.8625 0.059 Uiso 1 1 calc R U . . .
C8 C 0.6063(6) 0.6633(6) 0.5422(4) 0.031(3) Uani 1 1 d . . . . .
C9 C 0.5500(6) 0.1614(6) 0.6923(4) 0.043(3) Uani 1 1 d . . . . .
H9 H 0.5422 0.1144 0.6993 0.051 Uiso 1 1 calc R U . . .
C10 C 0.5902(6) 0.9151(6) 0.6361(4) 0.038(3) Uani 1 1 d . . . . .
C11 C 0.6252(6) 0.7633(7) 0.4776(4) 0.040(3) Uani 1 1 d . . . . .
H11 H 0.6298 0.7982 0.4544 0.048 Uiso 1 1 calc R U . . .
C12 C 0.5746(5) 0.2991(6) 0.6747(4) 0.029(3) Uani 1 1 d . . . . .
C13 C 0.7952(6) 0.6007(7) 0.8061(5) 0.047(3) Uani 1 1 d . . . . .
H13 H 0.8181 0.5640 0.8279 0.057 Uiso 1 1 calc R U . . .
C14 C 0.3617(6) 0.4814(6) 0.5737(4) 0.037(3) Uani 1 1 d . . . . .
H14 H 0.3830 0.4860 0.5485 0.045 Uiso 1 1 calc R U . . .
C15 C 0.5865(6) 0.3734(6) 0.6669(4) 0.036(3) Uani 1 1 d . . . . .
H15A H 0.5930 0.3791 0.6331 0.044 Uiso 1 1 calc R U . . .
H15B H 0.6278 0.3884 0.6940 0.044 Uiso 1 1 calc R U . . .
C16 C 0.3854(5) 0.4344(6) 0.6144(4) 0.029(3) Uani 1 1 d . . . . .
C17 C 0.3395(6) 0.7079(7) 0.5557(5) 0.049(3) Uani 1 1 d . . . . .
H17 H 0.3454 0.6670 0.5383 0.058 Uiso 1 1 calc R U . . .
C18 C 0.5321(5) 0.5095(5) 0.6393(4) 0.030(3) Uani 1 1 d . . . . .
H18A H 0.5277 0.5005 0.6029 0.036 Uiso 1 1 calc R U . . .
H18B H 0.4978 0.5438 0.6399 0.036 Uiso 1 1 calc R U . . .
C19 C 0.2789(7) 0.7187(7) 0.5620(4) 0.052(4) Uani 1 1 d . . . . .
H19 H 0.2442 0.6855 0.5505 0.062 Uiso 1 1 calc R U . . .
C20 C 0.3824(6) 0.8099(6) 0.5970(4) 0.033(3) Uani 1 1 d . . . . .
C21 C 0.5637(6) 0.9651(6) 0.5967(4) 0.040(3) Uani 1 1 d . . . . .
H21 H 0.5299 0.9960 0.5986 0.048 Uiso 1 1 calc R U . . .
C22 C 0.7560(6) 0.7180(7) 0.7940(4) 0.048(3) Uani 1 1 d . . . . .
H22 H 0.7521 0.7620 0.8085 0.058 Uiso 1 1 calc R U . . .
C23 C 0.7340(5) 0.6451(6) 0.7221(4) 0.036(3) Uani 1 1 d . . . . .
C24 C 0.2786(6) 0.5157(6) 0.6096(4) 0.041(3) Uani 1 1 d . . . . .
H24 H 0.2420 0.5440 0.6092 0.049 Uiso 1 1 calc R U . . .
C25 C 0.6691(6) 0.7078(7) 0.4904(4) 0.044(3) Uani 1 1 d . . . . .
H25 H 0.7045 0.7045 0.4767 0.052 Uiso 1 1 calc R U . . .
C26 C 0.5622(6) 0.9080(6) 0.6797(4) 0.036(3) Uani 1 1 d . . . . .
H26A H 0.5373 0.9508 0.6816 0.043 Uiso 1 1 calc R U . . .
H26B H 0.5992 0.9033 0.7127 0.043 Uiso 1 1 calc R U . . .
C27 C 0.7016(5) 0.6359(6) 0.6645(4) 0.035(3) Uani 1 1 d . . . . .
H27A H 0.7212 0.5945 0.6536 0.042 Uiso 1 1 calc R U . . .
H27B H 0.7124 0.6768 0.6469 0.042 Uiso 1 1 calc R U . . .
C28 C 0.5727(6) 0.2100(6) 0.7318(4) 0.038(3) Uani 1 1 d . . . . .
H28 H 0.5806 0.1948 0.7662 0.046 Uiso 1 1 calc R U . . .
C29 C 0.4734(6) 0.8410(6) 0.7236(4) 0.037(3) Uani 1 1 d . . . . .
H29A H 0.4478 0.8848 0.7191 0.045 Uiso 1 1 calc R U . . .
H29B H 0.4424 0.8020 0.7217 0.045 Uiso 1 1 calc R U . . .
C30 C 0.5938(6) 0.6058(5) 0.5740(4) 0.029(3) Uani 1 1 d . . . . .
H30A H 0.6204 0.5650 0.5707 0.034 Uiso 1 1 calc R U . . .
H30B H 0.5465 0.5925 0.5596 0.034 Uiso 1 1 calc R U . . .
C31 C 0.6359(6) 0.9226(7) 0.5540(4) 0.044(3) Uani 1 1 d . . . . .
H31 H 0.6527 0.9234 0.5260 0.053 Uiso 1 1 calc R U . . .
C32 C 0.6604(5) 0.6575(6) 0.5233(4) 0.032(3) Uani 1 1 d . . . . .
H32 H 0.6903 0.6194 0.5333 0.038 Uiso 1 1 calc R U . . .
C33 C 0.7670(6) 0.5907(6) 0.7534(4) 0.039(3) Uani 1 1 d . . . . .
H33 H 0.7702 0.5467 0.7387 0.047 Uiso 1 1 calc R U . . .
C34 C 0.6592(6) 0.8757(6) 0.5940(4) 0.042(3) Uani 1 1 d . . . . .
H34 H 0.6929 0.8442 0.5927 0.050 Uiso 1 1 calc R U . . .
C35 C 0.4459(5) 0.3908(6) 0.6205(4) 0.032(3) Uani 1 1 d . . . . .
H35A H 0.4540 0.3877 0.5871 0.039 Uiso 1 1 calc R U . . .
H35B H 0.4385 0.3431 0.6311 0.039 Uiso 1 1 calc R U . . .
C36 C 0.5518(6) 0.2520(6) 0.6331(4) 0.037(3) Uani 1 1 d . . . . .
H36 H 0.5454 0.2675 0.5990 0.044 Uiso 1 1 calc R U . . .
C37 C 0.5870(6) 0.9683(7) 0.5564(4) 0.046(3) Uani 1 1 d . . . . .
H37 H 0.5699 1.0019 0.5300 0.055 Uiso 1 1 calc R U . . .
C38 C 0.5759(6) 0.7677(6) 0.4982(4) 0.036(3) Uani 1 1 d . . . . .
H38 H 0.5475 0.8071 0.4905 0.043 Uiso 1 1 calc R U . . .
C39 C 0.4392(6) 0.8605(6) 0.6145(4) 0.037(3) Uani 1 1 d . . . . .
H39A H 0.4222 0.9056 0.6221 0.044 Uiso 1 1 calc R U . . .
H39B H 0.4567 0.8681 0.5857 0.044 Uiso 1 1 calc R U . . .
O1 O 0.3897(4) 0.7899(5) 0.4561(3) 0.052(2) Uani 1 1 d . . . . .
O4 O 0.4530(4) 0.8717(5) 0.5001(3) 0.048(2) Uani 1 1 d . . . . .
O18 O 0.3477(4) 0.8883(5) 0.4647(3) 0.057(2) Uani 1 1 d . . . . .
N12 N 0.3978(6) 0.8496(5) 0.4737(3) 0.039(2) Uani 1 1 d . . . . .
N14 N 0.4883(10) 0.6318(11) 0.7261(7) 0.100 Uiso 0.5 1 d D U P A -1
O2 O 0.4660(10) 0.5775(11) 0.7421(8) 0.100 Uiso 0.5 1 d D U P A -1
O9 O 0.4548(11) 0.6465(12) 0.6791(8) 0.100 Uiso 0.5 1 d D U P A -1
O17 O 0.5348(11) 0.6726(12) 0.7525(9) 0.100 Uiso 0.5 1 d D U P A -1
O3 O 0.7494(7) 0.9539(6) 0.8200(4) 0.096(4) Uani 1 1 d . . . . .
O6 O 0.7595(4) 0.9059(5) 0.7516(3) 0.056(2) Uani 1 1 d . . . . .
O19 O 0.6870(5) 0.8673(5) 0.7841(3) 0.059(3) Uani 1 1 d . . . . .
N10 N 0.7323(6) 0.9076(6) 0.7851(4) 0.045(3) Uani 1 1 d . . . . .
O5 O 0.7101(5) 0.2701(5) 0.8581(4) 0.064(3) Uani 1 1 d . . . . .
O8 O 0.6116(4) 0.2369(5) 0.8522(3) 0.052(2) Uani 1 1 d . . . . .
O14 O 0.6935(5) 0.1745(5) 0.8955(3) 0.073(3) Uani 1 1 d . . . . .
N11 N 0.6721(6) 0.2283(6) 0.8686(4) 0.046(3) Uani 1 1 d . . . . .
O7 O 0.3804(6) 0.5774(9) 0.4392(4) 0.121(6) Uani 1 1 d . . . . .
O10 O 0.4272(4) 0.5966(4) 0.5191(3) 0.047(2) Uani 1 1 d . . . . .
O13 O 0.4793(5) 0.5983(7) 0.4652(3) 0.094(4) Uani 1 1 d . . . . .
N13 N 0.4298(6) 0.5897(6) 0.4754(4) 0.047(3) Uani 1 1 d . . . . .
O11 O 0.9185(5) 0.5707(5) 0.6203(3) 0.067(3) Uiso 1 1 d . . . . .
O12 O 0.7646(5) 0.9855(5) 0.9253(3) 0.062(3) Uiso 1 1 d . . . . .
O15 O 0.9290(8) 0.5169(8) 0.7149(6) 0.143(5) Uiso 1 1 d . . . . .
O16 O 0.1565(4) 0.5120(4) 0.4599(3) 0.051(2) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 2.9892(12) . ?
Ag1 Ag4 3.0245(13) . ?
Ag1 P1 2.407(3) . ?
Ag1 P3 2.404(3) . ?
Ag2 N1 2.170(10) . ?
Ag2 N2 2.181(9) . ?
Ag2 O1 2.914(9) . ?
Ag2 O10 2.804(8) . ?
Ag3 Ag5 3.0262(12) . ?
Ag3 Ag5 3.0262(12) 2_656 ?
Ag3 P2 2.395(3) 2_656 ?
Ag3 P2 2.395(3) . ?
Ag4 N3 2.161(10) . ?
Ag4 N4 2.166(9) . ?
Ag4 O6 2.775(9) . ?
Ag5 N5 2.191(9) 2_656 ?
Ag5 N6 2.175(9) . ?
Ag5 O8 2.721(9) . ?
P1 C1 1.837(10) . ?
P1 C27 1.795(11) . ?
P1 C30 1.842(10) . ?
P2 C15 1.824(11) . ?
P2 C18 1.820(10) . ?
P2 C35 1.830(11) . ?
P3 C26 1.830(11) . ?
P3 C29 1.817(10) . ?
P3 C39 1.823(11) . ?
N1 C8 1.320(14) . ?
N1 C38 1.361(14) . ?
N2 C17 1.324(15) . ?
N2 C20 1.344(14) . ?
N3 C10 1.322(15) . ?
N3 C34 1.355(14) . ?
N4 C22 1.343(14) . ?
N4 C23 1.369(14) . ?
N5 Ag5 2.191(9) 2_656 ?
N5 C4 1.344(14) . ?
N5 C16 1.369(13) . ?
N6 C12 1.375(12) . ?
N6 C28 1.327(14) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C18 1.527(14) . ?
C2 H2 0.9500 . ?
C2 C6 1.369(16) . ?
C2 C19 1.358(17) . ?
C3 H3 0.9500 . ?
C3 C9 1.412(16) . ?
C3 C36 1.354(16) . ?
C4 H4 0.9500 . ?
C4 C24 1.351(16) . ?
C5 H5 0.9500 . ?
C5 C14 1.388(16) . ?
C5 C24 1.391(16) . ?
C6 H6 0.9500 . ?
C6 C20 1.402(16) . ?
C7 H7 0.9500 . ?
C7 C13 1.374(18) . ?
C7 C22 1.387(17) . ?
C8 C30 1.487(14) . ?
C8 C32 1.418(15) . ?
C9 H9 0.9500 . ?
C9 C28 1.391(16) . ?
C10 C21 1.416(16) . ?
C10 C26 1.510(15) . ?
C11 H11 0.9500 . ?
C11 C25 1.387(17) . ?
C11 C38 1.352(15) . ?
C12 C15 1.479(15) . ?
C12 C36 1.413(15) . ?
C13 H13 0.9500 . ?
C13 C33 1.386(16) . ?
C14 H14 0.9500 . ?
C14 C16 1.395(14) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C35 1.503(15) . ?
C17 H17 0.9500 . ?
C17 C19 1.379(17) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19 0.9500 . ?
C20 C39 1.505(15) . ?
C21 H21 0.9500 . ?
C21 C37 1.358(16) . ?
C22 H22 0.9500 . ?
C23 C27 1.514(14) . ?
C23 C33 1.389(15) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C25 C32 1.379(15) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28 0.9500 . ?
C29 C29 1.52(2) 2_656 ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31 0.9500 . ?
C31 C34 1.380(16) . ?
C31 C37 1.383(17) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
O1 N12 1.234(12) . ?
O4 N12 1.237(12) . ?
O18 N12 1.259(12) . ?
N14 O2 1.285(17) . ?
N14 O9 1.284(17) . ?
N14 O17 1.286(17) . ?
O3 N10 1.271(13) . ?
O6 N10 1.239(12) . ?
O19 N10 1.233(12) . ?
O5 N11 1.242(13) . ?
O8 N11 1.231(13) . ?
O14 N11 1.265(13) . ?
O7 N13 1.209(13) . ?
O10 N13 1.227(11) . ?
O13 N13 1.191(13) . ?

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
Ag2 Ag1 Ag4 113.38(4) . . ?
P1 Ag1 Ag2 86.57(7) . . ?
P1 Ag1 Ag4 85.61(8) . . ?
P3 Ag1 Ag2 86.24(7) . . ?
P3 Ag1 Ag4 85.08(8) . . ?
P3 Ag1 P1 164.90(10) . . ?
N1 Ag2 Ag1 93.3(2) . . ?
N1 Ag2 N2 175.0(4) . . ?
N1 Ag2 O1 99.0(3) . . ?
N1 Ag2 O10 95.2(3) . . ?
N2 Ag2 Ag1 87.5(2) . . ?
N2 Ag2 O1 78.7(3) . . ?
N2 Ag2 O10 89.2(3) . . ?
O1 Ag2 Ag1 157.22(17) . . ?
O10 Ag2 Ag1 107.37(16) . . ?
O10 Ag2 O1 90.6(2) . . ?
Ag5 Ag3 Ag5 103.43(5) . 2_656 ?
P2 Ag3 Ag5 87.62(7) . 2_656 ?
P2 Ag3 Ag5 87.63(7) 2_656 . ?
P2 Ag3 Ag5 84.28(7) . . ?
P2 Ag3 Ag5 84.28(7) 2_656 2_656 ?
P2 Ag3 P2 166.93(15) 2_656 . ?
N3 Ag4 Ag1 87.1(3) . . ?
N3 Ag4 N4 169.1(3) . . ?
N3 Ag4 O6 88.2(3) . . ?
N4 Ag4 Ag1 88.1(3) . . ?
N4 Ag4 O6 101.2(3) . . ?
O6 Ag4 Ag1 145.92(19) . . ?
N5 Ag5 Ag3 78.5(2) 2_656 . ?
N5 Ag5 O8 99.1(3) 2_656 . ?
N6 Ag5 Ag3 94.2(2) . . ?
N6 Ag5 N5 171.0(3) . 2_656 ?
N6 Ag5 O8 89.0(3) . . ?
O8 Ag5 Ag3 120.26(19) . . ?
C1 P1 Ag1 116.6(4) . . ?
C1 P1 C30 100.3(5) . . ?
C27 P1 Ag1 114.7(4) . . ?
C27 P1 C1 104.0(5) . . ?
C27 P1 C30 102.4(5) . . ?
C30 P1 Ag1 116.7(4) . . ?
C15 P2 Ag3 118.3(4) . . ?
C15 P2 C35 103.5(5) . . ?
C18 P2 Ag3 114.8(4) . . ?
C18 P2 C15 103.6(5) . . ?
C18 P2 C35 103.7(5) . . ?
C35 P2 Ag3 111.4(4) . . ?
C26 P3 Ag1 116.9(4) . . ?
C29 P3 Ag1 115.0(4) . . ?
C29 P3 C26 103.7(5) . . ?
C29 P3 C39 103.8(5) . . ?
C39 P3 Ag1 115.4(4) . . ?
C39 P3 C26 100.0(5) . . ?
C8 N1 Ag2 124.4(7) . . ?
C8 N1 C38 120.0(10) . . ?
C38 N1 Ag2 115.4(8) . . ?
C17 N2 Ag2 117.1(8) . . ?
C17 N2 C20 119.2(10) . . ?
C20 N2 Ag2 123.4(8) . . ?
C10 N3 Ag4 125.0(7) . . ?
C10 N3 C34 117.0(10) . . ?
C34 N3 Ag4 117.9(9) . . ?
C22 N4 Ag4 118.9(8) . . ?
C22 N4 C23 119.2(10) . . ?
C23 N4 Ag4 121.7(7) . . ?
C4 N5 Ag5 119.3(7) . 2_656 ?
C4 N5 C16 118.0(9) . . ?
C16 N5 Ag5 122.1(7) . 2_656 ?
C12 N6 Ag5 122.0(7) . . ?
C28 N6 Ag5 118.8(7) . . ?
C28 N6 C12 119.2(9) . . ?
P1 C1 H1A 109.0 . . ?
P1 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
C18 C1 P1 112.7(7) . . ?
C18 C1 H1A 109.0 . . ?
C18 C1 H1B 109.0 . . ?
C6 C2 H2 119.7 . . ?
C19 C2 H2 119.7 . . ?
C19 C2 C6 120.6(12) . . ?
C9 C3 H3 120.2 . . ?
C36 C3 H3 120.2 . . ?
C36 C3 C9 119.7(11) . . ?
N5 C4 H4 118.3 . . ?
N5 C4 C24 123.4(11) . . ?
C24 C4 H4 118.3 . . ?
C14 C5 H5 120.7 . . ?
C14 C5 C24 118.7(11) . . ?
C24 C5 H5 120.7 . . ?
C2 C6 H6 120.6 . . ?
C2 C6 C20 118.7(12) . . ?
C20 C6 H6 120.6 . . ?
C13 C7 H7 120.1 . . ?
C13 C7 C22 119.8(12) . . ?
C22 C7 H7 120.1 . . ?
N1 C8 C30 120.6(10) . . ?
N1 C8 C32 120.5(10) . . ?
C32 C8 C30 118.8(10) . . ?
C3 C9 H9 121.4 . . ?
C28 C9 C3 117.2(11) . . ?
C28 C9 H9 121.4 . . ?
N3 C10 C21 122.0(11) . . ?
N3 C10 C26 117.8(10) . . ?
C21 C10 C26 120.2(12) . . ?
C25 C11 H11 120.1 . . ?
C38 C11 H11 120.1 . . ?
C38 C11 C25 119.8(11) . . ?
N6 C12 C15 118.3(9) . . ?
N6 C12 C36 119.4(10) . . ?
C36 C12 C15 122.2(10) . . ?
C7 C13 H13 120.6 . . ?
C7 C13 C33 118.8(12) . . ?
C33 C13 H13 120.6 . . ?
C5 C14 H14 120.5 . . ?
C5 C14 C16 119.0(10) . . ?
C16 C14 H14 120.5 . . ?
P2 C15 H15A 109.1 . . ?
P2 C15 H15B 109.1 . . ?
C12 C15 P2 112.6(8) . . ?
C12 C15 H15A 109.1 . . ?
C12 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
N5 C16 C14 121.3(10) . . ?
N5 C16 C35 117.1(9) . . ?
C14 C16 C35 121.6(10) . . ?
N2 C17 H17 118.4 . . ?
N2 C17 C19 123.3(13) . . ?
C19 C17 H17 118.4 . . ?
P2 C18 H18A 109.3 . . ?
P2 C18 H18B 109.3 . . ?
C1 C18 P2 111.5(7) . . ?
C1 C18 H18A 109.3 . . ?
C1 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
C2 C19 C17 117.8(13) . . ?
C2 C19 H19 121.1 . . ?
C17 C19 H19 121.1 . . ?
N2 C20 C6 120.4(11) . . ?
N2 C20 C39 118.7(10) . . ?
C6 C20 C39 120.9(10) . . ?
C10 C21 H21 120.2 . . ?
C37 C21 C10 119.5(12) . . ?
C37 C21 H21 120.2 . . ?
N4 C22 C7 121.7(12) . . ?
N4 C22 H22 119.2 . . ?
C7 C22 H22 119.2 . . ?
N4 C23 C27 118.0(10) . . ?
N4 C23 C33 120.6(11) . . ?
C33 C23 C27 121.5(11) . . ?
C4 C24 C5 119.6(12) . . ?
C4 C24 H24 120.2 . . ?
C5 C24 H24 120.2 . . ?
C11 C25 H25 120.7 . . ?
C32 C25 C11 118.7(10) . . ?
C32 C25 H25 120.7 . . ?
P3 C26 H26A 109.2 . . ?
P3 C26 H26B 109.2 . . ?
C10 C26 P3 112.1(7) . . ?
C10 C26 H26A 109.2 . . ?
C10 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
P1 C27 H27A 108.5 . . ?
P1 C27 H27B 108.5 . . ?
C23 C27 P1 115.2(7) . . ?
C23 C27 H27A 108.5 . . ?
C23 C27 H27B 108.5 . . ?
H27A C27 H27B 107.5 . . ?
N6 C28 C9 123.8(11) . . ?
N6 C28 H28 118.1 . . ?
C9 C28 H28 118.1 . . ?
P3 C29 H29A 109.0 . . ?
P3 C29 H29B 109.0 . . ?
C29 C29 P3 112.9(11) 2_656 . ?
C29 C29 H29A 109.0 2_656 . ?
C29 C29 H29B 109.0 2_656 . ?
H29A C29 H29B 107.8 . . ?
P1 C30 H30A 108.4 . . ?
P1 C30 H30B 108.4 . . ?
C8 C30 P1 115.4(7) . . ?
C8 C30 H30A 108.4 . . ?
C8 C30 H30B 108.4 . . ?
H30A C30 H30B 107.5 . . ?
C34 C31 H31 121.4 . . ?
C34 C31 C37 117.3(11) . . ?
C37 C31 H31 121.4 . . ?
C8 C32 H32 120.4 . . ?
C25 C32 C8 119.1(11) . . ?
C25 C32 H32 120.4 . . ?
C13 C33 C23 119.9(12) . . ?
C13 C33 H33 120.0 . . ?
C23 C33 H33 120.0 . . ?
N3 C34 C31 124.6(13) . . ?
N3 C34 H34 117.7 . . ?
C31 C34 H34 117.7 . . ?
P2 C35 H35A 109.6 . . ?
P2 C35 H35B 109.6 . . ?
C16 C35 P2 110.2(7) . . ?
C16 C35 H35A 109.6 . . ?
C16 C35 H35B 109.6 . . ?
H35A C35 H35B 108.1 . . ?
C3 C36 C12 120.7(11) . . ?
C3 C36 H36 119.7 . . ?
C12 C36 H36 119.7 . . ?
C21 C37 C31 119.7(11) . . ?
C21 C37 H37 120.2 . . ?
C31 C37 H37 120.2 . . ?
N1 C38 H38 119.1 . . ?
C11 C38 N1 121.8(11) . . ?
C11 C38 H38 119.1 . . ?
P3 C39 H39A 108.7 . . ?
P3 C39 H39B 108.7 . . ?
C20 C39 P3 114.4(7) . . ?
C20 C39 H39A 108.7 . . ?
C20 C39 H39B 108.7 . . ?
H39A C39 H39B 107.6 . . ?
N12 O1 Ag2 93.0(6) . . ?
O1 N12 O4 122.2(11) . . ?
O1 N12 O18 118.2(11) . . ?
O4 N12 O18 119.6(10) . . ?
O2 N14 O17 127.4(18) . . ?
O9 N14 O2 112.2(17) . . ?
O9 N14 O17 120.3(18) . . ?
N10 O6 Ag4 96.5(7) . . ?
O6 N10 O3 119.3(12) . . ?
O19 N10 O3 119.0(11) . . ?
O19 N10 O6 121.6(11) . . ?
N11 O8 Ag5 94.4(7) . . ?
O5 N11 O14 121.9(12) . . ?
O8 N11 O5 120.9(11) . . ?
O8 N11 O14 117.2(12) . . ?
N13 O10 Ag2 105.8(7) . . ?
O7 N13 O10 121.1(12) . . ?
O13 N13 O7 115.8(11) . . ?
O13 N13 O10 123.0(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 P1 C1 C18 71.9(8) . . . . ?
Ag1 P1 C27 C23 58.9(9) . . . . ?
Ag1 P1 C30 C8 59.8(9) . . . . ?
Ag1 P3 C26 C10 58.3(9) . . . . ?
Ag1 P3 C29 C29 69.8(4) . . . 2_656 ?
Ag1 P3 C39 C20 55.3(9) . . . . ?
Ag2 N1 C8 C30 -0.7(13) . . . . ?
Ag2 N1 C8 C32 175.9(7) . . . . ?
Ag2 N1 C38 C11 -173.7(9) . . . . ?
Ag2 N2 C17 C19 -174.0(10) . . . . ?
Ag2 N2 C20 C6 173.1(7) . . . . ?
Ag2 N2 C20 C39 -4.6(13) . . . . ?
Ag2 O1 N12 O4 42.3(10) . . . . ?
Ag2 O1 N12 O18 -136.7(8) . . . . ?
Ag2 O10 N13 O7 -122.1(13) . . . . ?
Ag2 O10 N13 O13 53.5(15) . . . . ?
Ag3 P2 C15 C12 68.7(9) . . . . ?
Ag3 P2 C18 C1 73.4(8) . . . . ?
Ag3 P2 C35 C16 56.4(8) . . . . ?
Ag4 N3 C10 C21 176.4(8) . . . . ?
Ag4 N3 C10 C26 -6.8(14) . . . . ?
Ag4 N3 C34 C31 -176.9(9) . . . . ?
Ag4 N4 C22 C7 -175.2(10) . . . . ?
Ag4 N4 C23 C27 -5.7(14) . . . . ?
Ag4 N4 C23 C33 175.2(8) . . . . ?
Ag4 O6 N10 O3 -176.9(11) . . . . ?
Ag4 O6 N10 O19 -0.2(12) . . . . ?
Ag5 N5 C4 C24 -170.9(10) 2_656 . . . ?
Ag5 N5 C16 C14 171.1(8) 2_656 . . . ?
Ag5 N5 C16 C35 -11.7(12) 2_656 . . . ?
Ag5 N6 C12 C15 -1.2(13) . . . . ?
Ag5 N6 C12 C36 -178.8(8) . . . . ?
Ag5 N6 C28 C9 178.5(9) . . . . ?
Ag5 O8 N11 O5 7.5(11) . . . . ?
Ag5 O8 N11 O14 -171.2(9) . . . . ?
P1 C1 C18 P2 -173.7(5) . . . . ?
N1 C8 C30 P1 -74.7(12) . . . . ?
N1 C8 C32 C25 -2.0(16) . . . . ?
N2 C17 C19 C2 2(2) . . . . ?
N2 C20 C39 P3 -74.9(11) . . . . ?
N3 C10 C21 C37 0.1(18) . . . . ?
N3 C10 C26 P3 -74.4(12) . . . . ?
N4 C23 C27 P1 -77.0(12) . . . . ?
N4 C23 C33 C13 0.2(17) . . . . ?
N5 C4 C24 C5 0.8(19) . . . . ?
N5 C16 C35 P2 -77.1(10) . . . . ?
N6 C12 C15 P2 -77.8(11) . . . . ?
N6 C12 C36 C3 0.0(17) . . . . ?
C1 P1 C27 C23 -69.5(9) . . . . ?
C1 P1 C30 C8 -173.2(9) . . . . ?
C2 C6 C20 N2 -1.4(16) . . . . ?
C2 C6 C20 C39 176.3(10) . . . . ?
C3 C9 C28 N6 0.5(19) . . . . ?
C4 N5 C16 C14 -0.4(16) . . . . ?
C4 N5 C16 C35 176.8(9) . . . . ?
C5 C14 C16 N5 -1.7(17) . . . . ?
C5 C14 C16 C35 -178.7(10) . . . . ?
C6 C2 C19 C17 -3.7(19) . . . . ?
C6 C20 C39 P3 107.4(11) . . . . ?
C7 C13 C33 C23 0.5(18) . . . . ?
C8 N1 C38 C11 2.5(16) . . . . ?
C9 C3 C36 C12 -1.4(18) . . . . ?
C10 N3 C34 C31 0.4(17) . . . . ?
C10 C21 C37 C31 0.5(18) . . . . ?
C11 C25 C32 C8 1.3(16) . . . . ?
C12 N6 C28 C9 -2.0(18) . . . . ?
C13 C7 C22 N4 0(2) . . . . ?
C14 C5 C24 C4 -2.8(18) . . . . ?
C14 C16 C35 P2 100.1(11) . . . . ?
C15 P2 C18 C1 -57.1(9) . . . . ?
C15 P2 C35 C16 -175.4(7) . . . . ?
C15 C12 C36 C3 -177.5(11) . . . . ?
C16 N5 C4 C24 0.8(17) . . . . ?
C17 N2 C20 C6 -0.2(16) . . . . ?
C17 N2 C20 C39 -177.9(10) . . . . ?
C18 P2 C15 C12 -162.9(8) . . . . ?
C18 P2 C35 C16 -67.6(8) . . . . ?
C19 C2 C6 C20 3.4(17) . . . . ?
C20 N2 C17 C19 -0.2(18) . . . . ?
C21 C10 C26 P3 102.4(11) . . . . ?
C22 N4 C23 C27 178.3(10) . . . . ?
C22 N4 C23 C33 -0.9(17) . . . . ?
C22 C7 C13 C33 -0.5(19) . . . . ?
C23 N4 C22 C7 0.9(18) . . . . ?
C24 C5 C14 C16 3.2(17) . . . . ?
C25 C11 C38 N1 -3.1(18) . . . . ?
C26 P3 C29 C29 -59.1(5) . . . 2_656 ?
C26 P3 C39 C20 -178.4(8) . . . . ?
C26 C10 C21 C37 -176.5(11) . . . . ?
C27 P1 C1 C18 -160.8(7) . . . . ?
C27 P1 C30 C8 -66.3(9) . . . . ?
C27 C23 C33 C13 -178.9(10) . . . . ?
C28 N6 C12 C15 179.2(10) . . . . ?
C28 N6 C12 C36 1.7(15) . . . . ?
C29 P3 C26 C10 -174.0(9) . . . . ?
C29 P3 C39 C20 -71.5(9) . . . . ?
C30 P1 C1 C18 -55.2(8) . . . . ?
C30 P1 C27 C23 -173.7(8) . . . . ?
C30 C8 C32 C25 174.7(10) . . . . ?
C32 C8 C30 P1 108.6(10) . . . . ?
C33 C23 C27 P1 102.1(12) . . . . ?
C34 N3 C10 C21 -0.6(17) . . . . ?
C34 N3 C10 C26 176.2(10) . . . . ?
C34 C31 C37 C21 -0.7(18) . . . . ?
C35 P2 C15 C12 -55.0(9) . . . . ?
C35 P2 C18 C1 -164.8(8) . . . . ?
C36 C3 C9 C28 1.2(18) . . . . ?
C36 C12 C15 P2 99.7(11) . . . . ?
C37 C31 C34 N3 0.3(18) . . . . ?
C38 N1 C8 C30 -176.5(9) . . . . ?
C38 N1 C8 C32 0.1(15) . . . . ?
C38 C11 C25 C32 1.2(17) . . . . ?
C39 P3 C26 C10 -67.0(10) . . . . ?
C39 P3 C29 C29 -163.2(4) . . . 2_656 ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT306_anb502              
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) O11, O12, O15, O16 Check
RESPONSE: The oxygen atoms belong to hydrate molecules; the corresponding
hydtogens were not located but included in the formula of the compound.
;
####################################################################### 
# 
# 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_anb512
_database_code_depnum_ccdc_archive 'CCDC 2265015'
loop_
_audit_author_name
_audit_author_address
'Irina Bagryanskaya'
;Institute of Organic Chemistry,  Novosibirsk 
Russia
;
_audit_update_record             
;
2023-06-02 deposited with the CCDC.	2025-06-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        
'Heterometallic Cu(I)-Au(I) complex with  1,2-bis[bis(pyridin-2-ylmethyl)phosphino]ethane'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
;
 C52 H56 Au2 Cl2 Cu4 N8 P4, 4(F6 P), 4(C3 H6 O), 2(C2 H6 O)
;
_chemical_formula_sum            'C68 H92 Au2 Cl2 Cu4 F24 N8 O6 P8'
_chemical_formula_weight         2540.24

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'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -y, -z'

_cell_length_a                   12.3615(5)
_cell_length_b                   14.0830(7)
_cell_length_c                   15.0530(7)
_cell_angle_alpha                67.048(2)
_cell_angle_beta                 86.616(2)
_cell_angle_gamma                70.5500(10)
_cell_volume                     2267.78(18)
_cell_formula_units_Z            1
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    8281
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      27.45

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_F_000             1248
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    4.444
_shelx_estimated_absorpt_T_min   0.269
_shelx_estimated_absorpt_T_max   0.842
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7591
_exptl_absorpt_correction_T_max  0.9281
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24288
_diffrn_reflns_av_unetI/netI     0.0642
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.132
_diffrn_reflns_theta_max         27.586
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             10407
_reflns_number_gt                8347
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0519P)²+0.2222P] 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_number_reflns         10407
_refine_ls_number_parameters     554
_refine_ls_number_restraints     34
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0414
_refine_ls_wR_factor_ref         0.1061
_refine_ls_wR_factor_gt          0.0996
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_restrained_S_all      1.101
_refine_ls_shift/su_max          0.009
_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 0.57425(2) 0.47466(2) 0.42155(2) 0.02404(7) Uani 1 1 d . . . . .
Cu1 Cu 0.44734(5) 0.53055(5) 0.25053(5) 0.03189(16) Uani 1 1 d . . . . .
Cu2 Cu 0.77248(6) 0.40385(5) 0.54667(5) 0.03240(16) Uani 1 1 d . . . . .
P1 P 0.59118(11) 0.64638(11) 0.34998(9) 0.0241(3) Uani 1 1 d . . . . .
Cl1 Cl 0.69261(11) 0.49367(11) 0.64884(10) 0.0346(3) Uani 1 1 d . . . . .
P3 P 0.60120(11) 0.29197(11) 0.45869(9) 0.0251(3) Uani 1 1 d . . . . .
P4 P 0.02460(15) 0.21199(14) 0.97623(12) 0.0452(4) Uani 1 1 d . . . . .
P5 P -0.26163(17) 0.89102(15) 0.49796(17) 0.0613(6) Uani 1 1 d . . . . .
F1 F 0.1076(6) 0.2678(6) 0.9118(4) 0.124(2) Uani 1 1 d . . . . .
F2 F 0.1185(5) 0.1013(5) 1.0028(5) 0.148(3) Uani 1 1 d . . . . .
F3 F -0.0550(5) 0.1560(5) 1.0442(5) 0.118(2) Uani 1 1 d . . . . .
F4 F -0.0710(8) 0.3251(5) 0.9529(6) 0.170(4) Uani 1 1 d . . . . .
F5 F -0.0283(6) 0.2160(6) 0.8837(4) 0.120(2) Uani 1 1 d . . . . .
F6 F 0.0706(8) 0.2200(8) 1.0650(4) 0.159(3) Uani 1 1 d . . . . .
F7 F -0.3347(6) 0.9677(5) 0.5438(5) 0.127(2) Uani 1 1 d . . . . .
F8 F -0.3566(5) 0.9342(5) 0.4127(5) 0.118(2) Uani 1 1 d . . . . .
F9 F -0.3016(5) 0.7900(4) 0.5583(4) 0.0927(16) Uani 1 1 d . . . . .
F10 F -0.1794(4) 0.8186(4) 0.4417(4) 0.0844(15) Uani 1 1 d . . . . .
F11 F -0.2194(6) 0.9921(4) 0.4320(4) 0.113(2) Uani 1 1 d . . . . .
F12 F -0.1572(4) 0.8481(4) 0.5720(4) 0.1001(19) Uani 1 1 d . . . . .
C26 C 0.6110(5) 0.6782(5) 0.2209(4) 0.0331(12) Uani 1 1 d . . . . .
H28 H 0.662931 0.721984 0.199961 0.040 Uiso 1 1 calc R U . . .
H27 H 0.648762 0.608906 0.211883 0.040 Uiso 1 1 calc R U . . .
N1 N 0.4251(4) 0.6869(4) 0.1642(3) 0.0303(10) Uani 1 1 d . . . . .
N2 N 0.8635(4) 0.4735(4) 0.4468(3) 0.0295(10) Uani 1 1 d . . . . .
C27 C 0.7568(4) 0.2133(4) 0.4784(4) 0.0298(12) Uani 1 1 d . . . . .
H12 H 0.771246 0.150325 0.459751 0.036 Uiso 1 1 calc R U . . .
H17 H 0.798953 0.260508 0.436183 0.036 Uiso 1 1 calc R U . . .
N3 N 0.8068(4) 0.2434(3) 0.6182(3) 0.0292(10) Uani 1 1 d . . . . .
N4 N 0.5545(4) 0.4178(4) 0.2089(3) 0.0332(10) Uani 1 1 d . . . . .
C28 C 0.5492(5) 0.2680(4) 0.3600(4) 0.0330(12) Uani 1 1 d . . . . .
H20 H 0.567992 0.188018 0.380615 0.040 Uiso 1 1 calc R U . . .
H21 H 0.464241 0.301366 0.351541 0.040 Uiso 1 1 calc R U . . .
O2A O -0.3339(7) 0.8939(6) 0.2045(5) 0.109(2) Uani 1 1 d D U . . .
C1 C 0.4987(5) 0.7410(5) 0.1570(4) 0.0331(12) Uani 1 1 d . . . . .
C2 C 0.4698(6) 0.8518(5) 0.0988(5) 0.0506(17) Uani 1 1 d . . . . .
H26 H 0.521830 0.889217 0.096492 0.061 Uiso 1 1 calc R U . . .
C3 C 0.3650(6) 0.9076(5) 0.0441(5) 0.0536(18) Uani 1 1 d . . . . .
H1 H 0.344045 0.983491 0.004369 0.064 Uiso 1 1 calc R U . . .
C4 C 0.2938(6) 0.8527(5) 0.0482(4) 0.0483(16) Uani 1 1 d . . . . .
H2 H 0.222408 0.888787 0.009995 0.058 Uiso 1 1 calc R U . . .
C5 C 0.3250(5) 0.7429(5) 0.1087(4) 0.0403(14) Uani 1 1 d . . . . .
H3 H 0.273124 0.705185 0.111055 0.048 Uiso 1 1 calc R U . . .
C6 C 0.8312(4) 0.5798(4) 0.3858(4) 0.0290(11) Uani 1 1 d . . . . .
C7 C 0.9013(5) 0.6200(5) 0.3159(4) 0.0362(13) Uani 1 1 d . . . . .
H7 H 0.875627 0.694724 0.272330 0.043 Uiso 1 1 calc R U . . .
C8 C 1.0083(5) 0.5508(5) 0.3100(5) 0.0419(15) Uani 1 1 d . . . . .
H4 H 1.057319 0.577260 0.262929 0.050 Uiso 1 1 calc R U . . .
C9 C 1.0434(5) 0.4407(5) 0.3747(4) 0.0389(14) Uani 1 1 d . . . . .
H5 H 1.117122 0.391247 0.373328 0.047 Uiso 1 1 calc R U . . .
C10 C 0.9685(5) 0.4062(5) 0.4400(4) 0.0352(13) Uani 1 1 d . . . . .
H6 H 0.991537 0.331182 0.482791 0.042 Uiso 1 1 calc R U . . .
C11 C 0.7184(4) 0.6549(4) 0.3981(4) 0.0250(11) Uani 1 1 d . . . . .
H15 H 0.718184 0.731120 0.366099 0.030 Uiso 1 1 calc R U . . .
H16 H 0.712282 0.638609 0.468070 0.030 Uiso 1 1 calc R U . . .
C12 C 0.4759(4) 0.7690(4) 0.3482(4) 0.0280(11) Uani 1 1 d . . . . .
H8 H 0.487075 0.833669 0.295976 0.034 Uiso 1 1 calc R U . . .
H9 H 0.401668 0.764956 0.331661 0.034 Uiso 1 1 calc R U . . .
C13 C 0.4671(4) 0.7873(4) 0.4426(4) 0.0280(11) Uani 1 1 d . . . . .
H11 H 0.424367 0.865863 0.426637 0.034 Uiso 1 1 calc R U . . .
H10 H 0.545995 0.772091 0.467538 0.034 Uiso 1 1 calc R U . . .
C14 C 0.8024(5) 0.1717(4) 0.5821(4) 0.0314(12) Uani 1 1 d . . . . .
C15 C 0.8347(6) 0.0591(5) 0.6403(5) 0.0471(16) Uani 1 1 d . . . . .
H13 H 0.830512 0.009285 0.613571 0.057 Uiso 1 1 calc R U . . .
C16 C 0.8719(7) 0.0216(5) 0.7350(5) 0.060(2) Uani 1 1 d . . . . .
H14 H 0.893305 -0.054279 0.775002 0.072 Uiso 1 1 calc R U . . .
C17 C 0.8781(7) 0.0949(5) 0.7720(5) 0.0565(19) Uani 1 1 d . . . . .
H18 H 0.905041 0.070368 0.837637 0.068 Uiso 1 1 calc R U . . .
C18 C 0.8448(5) 0.2044(5) 0.7125(4) 0.0420(15) Uani 1 1 d . . . . .
H19 H 0.848612 0.254720 0.738699 0.050 Uiso 1 1 calc R U . . .
C19 C 0.5956(5) 0.3111(5) 0.2624(4) 0.0378(14) Uani 1 1 d . . . . .
C20 C 0.6767(6) 0.2392(6) 0.2293(5) 0.060(2) Uani 1 1 d . . . . .
H22 H 0.703698 0.175636 0.263588 0.072 Uiso 1 1 calc R U . . .
C21 C 0.7091(8) 0.2777(7) 0.1389(6) 0.076(3) Uani 1 1 d . . . . .
H25 H 0.761588 0.228729 0.114526 0.092 Uiso 1 1 calc R U . . .
C22 C 0.6666(6) 0.3879(6) 0.0817(5) 0.058(2) Uani 1 1 d . . . . .
H23 H 0.689700 0.416661 0.018160 0.069 Uiso 1 1 calc R U . . .
C23 C 0.5888(5) 0.4551(6) 0.1204(4) 0.0436(15) Uani 1 1 d . . . . .
H24 H 0.558584 0.531370 0.081851 0.052 Uiso 1 1 calc R U . . .
C7A C -0.2982(10) 0.9554(8) 0.2100(8) 0.115(3) Uani 1 1 d D U . . .
C6A C -0.1753(12) 0.9596(8) 0.2184(7) 0.120(4) Uani 1 1 d . U . . .
H32 H -0.119070 0.899282 0.205618 0.180 Uiso 1 1 calc R U . . .
H33 H -0.157943 0.952490 0.283855 0.180 Uiso 1 1 calc R U . . .
H31 H -0.171547 1.029567 0.171140 0.180 Uiso 1 1 calc R U . . .
C5A C 0.0410(7) 0.7206(7) 0.7444(6) 0.076(3) Uani 1 1 d . . . . .
H37 H 0.055350 0.764917 0.679114 0.113 Uiso 1 1 calc R U . . .
H38 H 0.049195 0.753359 0.789194 0.113 Uiso 1 1 calc R U . . .
H34 H -0.037213 0.718084 0.743724 0.113 Uiso 1 1 calc R U . . .
C3A C 0.1261(6) 0.6068(6) 0.7765(5) 0.0523(17) Uani 1 1 d . . . . .
C4A C 0.1076(7) 0.5247(7) 0.8715(6) 0.073(2) Uani 1 1 d . . . . .
H39 H 0.041701 0.504430 0.862518 0.110 Uiso 1 1 calc R U . . .
H40 H 0.092405 0.557163 0.919801 0.110 Uiso 1 1 calc R U . . .
H35 H 0.176675 0.459198 0.893669 0.110 Uiso 1 1 calc R U . . .
O1A O 0.2040(4) 0.5815(4) 0.7287(3) 0.0555(12) Uani 1 1 d . . . . .
O3A O 0.5976(8) 0.6673(10) -0.0686(7) 0.167(4) Uani 1 1 d D U . . .
H1O H 0.619928 0.651327 -0.011282 0.250 Uiso 1 1 calc R U . . .
C1A C 0.6576(11) 0.7258(14) -0.1300(9) 0.163(5) Uani 1 1 d D U . . .
H1AA H 0.704881 0.747422 -0.095587 0.244 Uiso 1 1 calc R U . . .
H1AB H 0.606077 0.792215 -0.181747 0.244 Uiso 1 1 calc R U . . .
C2A C 0.7357(13) 0.6407(15) -0.1722(10) 0.189(6) Uani 1 1 d . U . . .
H3AA H 0.784411 0.674303 -0.218818 0.283 Uiso 1 1 calc R U . . .
H3AB H 0.784413 0.575368 -0.119177 0.283 Uiso 1 1 calc R U . . .
H3AC H 0.686495 0.619760 -0.204565 0.283 Uiso 1 1 calc R U . . .
C8A C -0.4075(14) 1.0625(9) 0.2077(11) 0.209(6) Uani 1 1 d D U . . .
H8AA H -0.383931 1.107324 0.211507 0.313 Uiso 1 1 calc R U . . .
H8AB H -0.446841 1.088247 0.158029 0.313 Uiso 1 1 calc R U . . .
H8AC H -0.444902 1.043982 0.252290 0.313 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.3090(13) . ?
Au1 P3 2.3177(13) . ?
Au1 Cu1 2.7897(7) . ?
Au1 Cu2 2.8283(7) . ?
Au1 Au1 3.0640(4) 2_666 ?
Cu1 N4 1.987(5) . ?
Cu1 N1 2.005(4) . ?
Cu1 Cl1 2.2549(15) 2_666 ?
Cu2 N2 1.968(4) . ?
Cu2 N3 1.990(4) . ?
Cu2 Cl1 2.3338(16) . ?
P1 C12 1.829(5) . ?
P1 C11 1.828(5) . ?
P1 C26 1.837(5) . ?
P3 C13 1.830(5) 2_666 ?
P3 C28 1.839(5) . ?
P3 C27 1.846(5) . ?
P4 F2 1.517(5) . ?
P4 F6 1.540(6) . ?
P4 F5 1.547(5) . ?
P4 F3 1.551(5) . ?
P4 F4 1.554(6) . ?
P4 F1 1.561(5) . ?
P5 F7 1.522(6) . ?
P5 F12 1.549(4) . ?
P5 F8 1.578(5) . ?
P5 F9 1.581(5) . ?
P5 F11 1.618(6) . ?
P5 F10 1.635(6) . ?
C26 C1 1.520(7) . ?
C26 H28 0.9900 . ?
C26 H27 0.9900 . ?
N1 C5 1.345(7) . ?
N1 C1 1.345(7) . ?
N2 C6 1.348(7) . ?
N2 C10 1.355(7) . ?
C27 C14 1.505(7) . ?
C27 H12 0.9900 . ?
C27 H17 0.9900 . ?
N3 C14 1.337(7) . ?
N3 C18 1.356(7) . ?
N4 C23 1.330(8) . ?
N4 C19 1.326(7) . ?
C28 C19 1.515(8) . ?
C28 H20 0.9900 . ?
C28 H21 0.9900 . ?
O2A C7A 1.126(8) . ?
C1 C2 1.388(8) . ?
C2 C3 1.385(9) . ?
C2 H26 0.9500 . ?
C3 C4 1.335(9) . ?
C3 H1 0.9500 . ?
C4 C5 1.384(8) . ?
C4 H2 0.9500 . ?
C5 H3 0.9500 . ?
C6 C7 1.391(8) . ?
C6 C11 1.495(7) . ?
C7 C8 1.379(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.402(8) . ?
C8 H4 0.9500 . ?
C9 C10 1.370(8) . ?
C9 H5 0.9500 . ?
C10 H6 0.9500 . ?
C11 H15 0.9900 . ?
C11 H16 0.9900 . ?
C12 C13 1.531(7) . ?
C12 H8 0.9900 . ?
C12 H9 0.9900 . ?
C13 H11 0.9900 . ?
C13 H10 0.9900 . ?
C14 C15 1.407(8) . ?
C15 C16 1.360(9) . ?
C15 H13 0.9500 . ?
C16 C17 1.375(10) . ?
C16 H14 0.9500 . ?
C17 C18 1.375(8) . ?
C17 H18 0.9500 . ?
C18 H19 0.9500 . ?
C19 C20 1.392(8) . ?
C20 C21 1.346(10) . ?
C20 H22 0.8000 . ?
C21 C22 1.376(11) . ?
C21 H25 0.9500 . ?
C22 C23 1.385(9) . ?
C22 H23 0.9500 . ?
C23 H24 0.9500 . ?
C7A C6A 1.554(16) . ?
C7A C8A 1.646(9) . ?
C6A H32 0.9800 . ?
C6A H33 0.9800 . ?
C6A H31 0.9800 . ?
C5A C3A 1.498(10) . ?
C5A H37 0.9800 . ?
C5A H38 0.9800 . ?
C5A H34 0.9800 . ?
C3A O1A 1.209(8) . ?
C3A C4A 1.510(10) . ?
C4A H39 0.9800 . ?
C4A H40 0.9800 . ?
C4A H35 0.9800 . ?
O3A C1A 1.348(8) . ?
O3A H1O 0.8400 . ?
C1A C2A 1.59(2) . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
C2A H3AA 0.9800 . ?
C2A H3AB 0.9800 . ?
C2A H3AC 0.9800 . ?
C8A H8AA 0.8000 . ?
C8A H8AB 0.8000 . ?
C8A H8AC 0.8000 . ?

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
P1 Au1 P3 161.38(5) . . ?
P1 Au1 Cu1 86.00(3) . . ?
P3 Au1 Cu1 89.15(4) . . ?
P1 Au1 Cu2 89.66(3) . . ?
P3 Au1 Cu2 87.94(4) . . ?
Cu1 Au1 Cu2 157.37(2) . . ?
P1 Au1 Au1 94.52(3) . 2_666 ?
P3 Au1 Au1 103.88(3) . 2_666 ?
Cu1 Au1 Au1 113.616(17) . 2_666 ?
Cu2 Au1 Au1 88.850(17) . 2_666 ?
N4 Cu1 N1 116.16(19) . . ?
N4 Cu1 Cl1 125.59(15) . 2_666 ?
N1 Cu1 Cl1 114.83(14) . 2_666 ?
N4 Cu1 Au1 97.45(13) . . ?
N1 Cu1 Au1 109.21(13) . . ?
Cl1 Cu1 Au1 82.70(4) 2_666 . ?
N2 Cu2 N3 125.88(19) . . ?
N2 Cu2 Cl1 115.73(14) . . ?
N3 Cu2 Cl1 109.46(14) . . ?
N2 Cu2 Au1 96.05(12) . . ?
N3 Cu2 Au1 105.03(12) . . ?
Cl1 Cu2 Au1 98.89(4) . . ?
C12 P1 C11 103.5(2) . . ?
C12 P1 C26 102.8(2) . . ?
C11 P1 C26 104.8(2) . . ?
C12 P1 Au1 121.69(17) . . ?
C11 P1 Au1 113.08(17) . . ?
C26 P1 Au1 109.21(19) . . ?
Cu1 Cl1 Cu2 128.66(7) 2_666 . ?
C13 P3 C28 98.3(3) 2_666 . ?
C13 P3 C27 106.6(2) 2_666 . ?
C28 P3 C27 104.7(3) . . ?
C13 P3 Au1 122.63(18) 2_666 . ?
C28 P3 Au1 113.56(18) . . ?
C27 P3 Au1 109.34(19) . . ?
F2 P4 F6 88.1(5) . . ?
F2 P4 F5 97.3(4) . . ?
F6 P4 F5 174.4(5) . . ?
F2 P4 F3 89.9(3) . . ?
F6 P4 F3 87.0(4) . . ?
F5 P4 F3 94.3(4) . . ?
F2 P4 F4 177.9(5) . . ?
F6 P4 F4 89.9(5) . . ?
F5 P4 F4 84.7(4) . . ?
F3 P4 F4 89.3(4) . . ?
F2 P4 F1 89.5(4) . . ?
F6 P4 F1 90.5(4) . . ?
F5 P4 F1 88.2(3) . . ?
F3 P4 F1 177.5(4) . . ?
F4 P4 F1 91.2(4) . . ?
F7 P5 F12 92.6(3) . . ?
F7 P5 F8 93.1(4) . . ?
F12 P5 F8 172.8(4) . . ?
F7 P5 F9 96.7(4) . . ?
F12 P5 F9 91.7(3) . . ?
F8 P5 F9 92.1(3) . . ?
F7 P5 F11 85.8(4) . . ?
F12 P5 F11 89.4(3) . . ?
F8 P5 F11 86.4(3) . . ?
F9 P5 F11 177.1(4) . . ?
F7 P5 F10 174.4(4) . . ?
F12 P5 F10 87.7(3) . . ?
F8 P5 F10 86.2(3) . . ?
F9 P5 F10 88.8(3) . . ?
F11 P5 F10 88.6(3) . . ?
C1 C26 P1 113.1(4) . . ?
C1 C26 H28 108.9 . . ?
P1 C26 H28 108.9 . . ?
C1 C26 H27 108.9 . . ?
P1 C26 H27 108.9 . . ?
H28 C26 H27 107.8 . . ?
C5 N1 C1 117.3(5) . . ?
C5 N1 Cu1 115.8(4) . . ?
C1 N1 Cu1 126.9(4) . . ?
C6 N2 C10 118.0(5) . . ?
C6 N2 Cu2 126.4(4) . . ?
C10 N2 Cu2 115.5(4) . . ?
C14 C27 P3 112.4(4) . . ?
C14 C27 H12 109.1 . . ?
P3 C27 H12 109.1 . . ?
C14 C27 H17 109.1 . . ?
P3 C27 H17 109.1 . . ?
H12 C27 H17 107.9 . . ?
C14 N3 C18 118.1(5) . . ?
C14 N3 Cu2 127.2(4) . . ?
C18 N3 Cu2 114.6(4) . . ?
C23 N4 C19 118.6(5) . . ?
C23 N4 Cu1 115.7(4) . . ?
C19 N4 Cu1 125.7(4) . . ?
C19 C28 P3 116.9(4) . . ?
C19 C28 H20 108.1 . . ?
P3 C28 H20 108.1 . . ?
C19 C28 H21 108.1 . . ?
P3 C28 H21 108.1 . . ?
H20 C28 H21 107.3 . . ?
N1 C1 C2 121.3(5) . . ?
N1 C1 C26 117.2(5) . . ?
C2 C1 C26 121.4(5) . . ?
C3 C2 C1 119.9(6) . . ?
C3 C2 H26 120.0 . . ?
C1 C2 H26 120.0 . . ?
C4 C3 C2 118.7(6) . . ?
C4 C3 H1 120.6 . . ?
C2 C3 H1 120.6 . . ?
C3 C4 C5 119.5(6) . . ?
C3 C4 H2 120.2 . . ?
C5 C4 H2 120.2 . . ?
N1 C5 C4 123.2(6) . . ?
N1 C5 H3 118.4 . . ?
C4 C5 H3 118.4 . . ?
N2 C6 C7 121.7(5) . . ?
N2 C6 C11 117.6(5) . . ?
C7 C6 C11 120.7(5) . . ?
C8 C7 C6 119.7(5) . . ?
C8 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
C7 C8 C9 118.8(5) . . ?
C7 C8 H4 120.6 . . ?
C9 C8 H4 120.6 . . ?
C10 C9 C8 118.3(5) . . ?
C10 C9 H5 120.9 . . ?
C8 C9 H5 120.9 . . ?
N2 C10 C9 123.4(5) . . ?
N2 C10 H6 118.3 . . ?
C9 C10 H6 118.3 . . ?
C6 C11 P1 115.3(4) . . ?
C6 C11 H15 108.5 . . ?
P1 C11 H15 108.5 . . ?
C6 C11 H16 108.5 . . ?
P1 C11 H16 108.5 . . ?
H15 C11 H16 107.5 . . ?
C13 C12 P1 115.7(3) . . ?
C13 C12 H8 108.4 . . ?
P1 C12 H8 108.4 . . ?
C13 C12 H9 108.4 . . ?
P1 C12 H9 108.4 . . ?
H8 C12 H9 107.4 . . ?
C12 C13 P3 118.4(4) . 2_666 ?
C12 C13 H11 107.7 . . ?
P3 C13 H11 107.7 2_666 . ?
C12 C13 H10 107.7 . . ?
P3 C13 H10 107.7 2_666 . ?
H11 C13 H10 107.1 . . ?
N3 C14 C15 121.2(5) . . ?
N3 C14 C27 119.1(5) . . ?
C15 C14 C27 119.6(5) . . ?
C16 C15 C14 119.9(6) . . ?
C16 C15 H13 120.1 . . ?
C14 C15 H13 120.1 . . ?
C15 C16 C17 119.1(6) . . ?
C15 C16 H14 120.4 . . ?
C17 C16 H14 120.4 . . ?
C16 C17 C18 119.0(6) . . ?
C16 C17 H18 120.5 . . ?
C18 C17 H18 120.5 . . ?
N3 C18 C17 122.8(6) . . ?
N3 C18 H19 118.6 . . ?
C17 C18 H19 118.6 . . ?
N4 C19 C20 121.5(6) . . ?
N4 C19 C28 118.3(5) . . ?
C20 C19 C28 120.2(6) . . ?
C21 C20 C19 119.3(7) . . ?
C21 C20 H22 120.4 . . ?
C19 C20 H22 120.4 . . ?
C20 C21 C22 120.2(7) . . ?
C20 C21 H25 119.9 . . ?
C22 C21 H25 119.9 . . ?
C21 C22 C23 117.3(7) . . ?
C21 C22 H23 121.3 . . ?
C23 C22 H23 121.3 . . ?
N4 C23 C22 123.0(6) . . ?
N4 C23 H24 118.5 . . ?
C22 C23 H24 118.5 . . ?
O2A C7A C6A 134.9(11) . . ?
O2A C7A C8A 107.9(9) . . ?
C6A C7A C8A 117.2(10) . . ?
C7A C6A H32 109.5 . . ?
C7A C6A H33 109.5 . . ?
H32 C6A H33 109.5 . . ?
C7A C6A H31 109.5 . . ?
H32 C6A H31 109.5 . . ?
H33 C6A H31 109.5 . . ?
C3A C5A H37 109.5 . . ?
C3A C5A H38 109.5 . . ?
H37 C5A H38 109.5 . . ?
C3A C5A H34 109.5 . . ?
H37 C5A H34 109.5 . . ?
H38 C5A H34 109.5 . . ?
O1A C3A C5A 122.1(7) . . ?
O1A C3A C4A 121.9(7) . . ?
C5A C3A C4A 116.0(7) . . ?
C3A C4A H39 109.5 . . ?
C3A C4A H40 109.5 . . ?
H39 C4A H40 109.5 . . ?
C3A C4A H35 109.5 . . ?
H39 C4A H35 109.5 . . ?
H40 C4A H35 109.5 . . ?
C1A O3A H1O 109.5 . . ?
O3A C1A C2A 101.7(14) . . ?
O3A C1A H1AA 111.4 . . ?
C2A C1A H1AA 111.4 . . ?
O3A C1A H1AB 111.4 . . ?
C2A C1A H1AB 111.4 . . ?
H1AA C1A H1AB 109.3 . . ?
C1A C2A H3AA 109.5 . . ?
C1A C2A H3AB 109.5 . . ?
H3AA C2A H3AB 109.5 . . ?
C1A C2A H3AC 109.5 . . ?
H3AA C2A H3AC 109.5 . . ?
H3AB C2A H3AC 109.5 . . ?
C7A C8A H8AA 109.5 . . ?
C7A C8A H8AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
C7A C8A H8AC 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C12 P1 C26 C1 -37.3(5) . . . . ?
C11 P1 C26 C1 -145.3(4) . . . . ?
Au1 P1 C26 C1 93.3(4) . . . . ?
C13 P3 C27 C14 -45.7(5) 2_666 . . . ?
C28 P3 C27 C14 -149.2(4) . . . . ?
Au1 P3 C27 C14 88.8(4) . . . . ?
C13 P3 C28 C19 -174.1(4) 2_666 . . . ?
C27 P3 C28 C19 -64.4(5) . . . . ?
Au1 P3 C28 C19 54.8(5) . . . . ?
C5 N1 C1 C2 3.7(8) . . . . ?
Cu1 N1 C1 C2 -175.7(5) . . . . ?
C5 N1 C1 C26 179.1(5) . . . . ?
Cu1 N1 C1 C26 -0.3(7) . . . . ?
P1 C26 C1 N1 -69.2(6) . . . . ?
P1 C26 C1 C2 106.2(6) . . . . ?
N1 C1 C2 C3 -2.4(10) . . . . ?
C26 C1 C2 C3 -177.6(6) . . . . ?
C1 C2 C3 C4 -0.4(11) . . . . ?
C2 C3 C4 C5 1.8(11) . . . . ?
C1 N1 C5 C4 -2.3(9) . . . . ?
Cu1 N1 C5 C4 177.1(5) . . . . ?
C3 C4 C5 N1 -0.4(10) . . . . ?
C10 N2 C6 C7 1.6(8) . . . . ?
Cu2 N2 C6 C7 -178.2(4) . . . . ?
C10 N2 C6 C11 -176.1(5) . . . . ?
Cu2 N2 C6 C11 4.1(7) . . . . ?
N2 C6 C7 C8 -2.0(9) . . . . ?
C11 C6 C7 C8 175.7(5) . . . . ?
C6 C7 C8 C9 0.5(9) . . . . ?
C7 C8 C9 C10 1.2(9) . . . . ?
C6 N2 C10 C9 0.2(8) . . . . ?
Cu2 N2 C10 C9 -180.0(5) . . . . ?
C8 C9 C10 N2 -1.6(9) . . . . ?
N2 C6 C11 P1 -77.8(6) . . . . ?
C7 C6 C11 P1 104.5(5) . . . . ?
C12 P1 C11 C6 -165.9(4) . . . . ?
C26 P1 C11 C6 -58.4(4) . . . . ?
Au1 P1 C11 C6 60.5(4) . . . . ?
C11 P1 C12 C13 -50.2(4) . . . . ?
C26 P1 C12 C13 -159.2(4) . . . . ?
Au1 P1 C12 C13 78.3(4) . . . . ?
P1 C12 C13 P3 -78.7(4) . . . 2_666 ?
C18 N3 C14 C15 0.9(8) . . . . ?
Cu2 N3 C14 C15 176.7(4) . . . . ?
C18 N3 C14 C27 178.0(5) . . . . ?
Cu2 N3 C14 C27 -6.1(7) . . . . ?
P3 C27 C14 N3 -68.2(6) . . . . ?
P3 C27 C14 C15 109.0(5) . . . . ?
N3 C14 C15 C16 -0.4(10) . . . . ?
C27 C14 C15 C16 -177.6(6) . . . . ?
C14 C15 C16 C17 -0.5(12) . . . . ?
C15 C16 C17 C18 1.0(12) . . . . ?
C14 N3 C18 C17 -0.3(9) . . . . ?
Cu2 N3 C18 C17 -176.7(6) . . . . ?
C16 C17 C18 N3 -0.6(11) . . . . ?
C23 N4 C19 C20 2.7(9) . . . . ?
Cu1 N4 C19 C20 -175.5(5) . . . . ?
C23 N4 C19 C28 -175.3(5) . . . . ?
Cu1 N4 C19 C28 6.5(8) . . . . ?
P3 C28 C19 N4 -76.0(6) . . . . ?
P3 C28 C19 C20 106.0(6) . . . . ?
N4 C19 C20 C21 -3.9(12) . . . . ?
C28 C19 C20 C21 174.0(7) . . . . ?
C19 C20 C21 C22 3.0(13) . . . . ?
C20 C21 C22 C23 -1.2(13) . . . . ?
C19 N4 C23 C22 -0.8(9) . . . . ?
Cu1 N4 C23 C22 177.6(5) . . . . ?
C21 C22 C23 N4 0.0(11) . . . . ?

_refine_diff_density_max         1.962
_refine_diff_density_min         -0.962
_refine_diff_density_rms         0.148



####################################################################### 
# 
# 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_anb513
_database_code_depnum_ccdc_archive 'CCDC 2420289'
loop_
_audit_author_name
_audit_author_address
'Taisiya Sukhikh'
;NIIC SB RAS
Russia
;
_audit_update_record             
;
2025-01-29 deposited with the CCDC.	2025-06-16 downloaded from the CCDC.
;
_audit_creation_date             2025-01-29
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C52 H56 Ag4 N8 P4, 4(F6 P), 2(C3 H6 O)'
_chemical_formula_sum            'C58 H68 Ag4 F24 N8 O2 P8'
_chemical_formula_weight         2044.44
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.3098(7)
_cell_length_b                   13.8300(7)
_cell_length_c                   24.1177(13)
_cell_angle_alpha                99.914(2)
_cell_angle_beta                 91.989(2)
_cell_angle_gamma                115.002(2)
_cell_volume                     3638.9(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9879
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.57
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   0.936
_shelx_estimated_absorpt_T_min   0.844
_exptl_absorpt_coefficient_mu    1.346
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0960 before and 0.0414 after correction.
The Ratio of minimum to maximum transmission is 0.9108.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2024
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_unetI/netI     0.0545
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            34258
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.102
_diffrn_reflns_theta_min         1.706
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Incoatec HELIOS multilayer mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_special_details          ?
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12410
_reflns_number_total             15812
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.829
_refine_diff_density_min         -0.800
_refine_diff_density_rms         0.172
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     942
_refine_ls_number_reflns         15812
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0815
_refine_ls_R_factor_gt           0.0627
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0733P)²+22.0747P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1585
_refine_ls_wR_factor_ref         0.1693
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.907(2)
 0.093(2)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C7(H7A,H7B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B),
 C26(H26A,H26B), C27(H27A,H27B), C33(H33A,H33B), C39(H39A,H39B), C40(H40A,H40B),
  C41(H41A,H41B), C47(H47A,H47B)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24), C25(H25),
  C29(H29), C30(H30), C31(H31), C32(H32), C35(H35), C36(H36), C37(H37),
 C38(H38), C43(H43), C44(H44), C45(H45), C46(H46), C49(H49), C50(H50), C51(H51),
  C52(H52)
3.c Idealised Me refined as rotating group:
 C3S(H3SA,H3SB,H3SC), C4S(H4SA,H4SB,H4SC), C7S(H7SA,H7SB,H7SC), C8S(H8SA,H8SB,
 H8SC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.40617(4) 0.21927(4) 0.80859(2) 0.02724(12) Uani 1 1 d . . . . .
Ag2 Ag 0.39908(5) 0.40742(5) 0.88045(2) 0.03267(14) Uani 1 1 d . . . . .
Ag3 Ag 0.71506(5) 0.73708(4) 0.70386(2) 0.02905(13) Uani 1 1 d . . . . .
Ag4 Ag 0.53440(4) 0.60094(4) 0.60727(2) 0.02716(12) Uani 1 1 d . . . . .
P1 P 0.60683(15) 0.36087(13) 0.80734(7) 0.0237(3) Uani 1 1 d . . . . .
P2 P 0.25373(15) 0.40008(13) 0.81023(7) 0.0237(3) Uani 1 1 d . . . . .
P3 P 0.78964(15) 0.60281(13) 0.69774(7) 0.0236(3) Uani 1 1 d . . . . .
P4 P 0.41005(15) 0.60307(13) 0.68087(7) 0.0230(3) Uani 1 1 d . . . . .
N1 N 0.5329(6) 0.1275(5) 0.8203(3) 0.0395(15) Uani 1 1 d . . . . .
N2 N 0.2084(5) 0.1305(4) 0.7992(2) 0.0263(11) Uani 1 1 d . . . . .
N3 N 0.5391(5) 0.4074(5) 0.9399(2) 0.0303(12) Uani 1 1 d . . . . .
N4 N 0.1753(7) 0.3188(6) 0.9155(3) 0.0479(18) Uani 1 1 d . . . . .
N5 N 0.6403(5) 0.8571(4) 0.7050(2) 0.0289(12) Uani 1 1 d . . . . .
N6 N 0.9192(6) 0.7945(6) 0.6505(3) 0.0451(17) Uani 1 1 d . . . . .
N7 N 0.6803(5) 0.5944(4) 0.5606(2) 0.0250(11) Uani 1 1 d . . . . .
N8 N 0.3746(5) 0.6395(5) 0.5620(3) 0.0322(13) Uani 1 1 d . . . . .
C1 C 0.6926(7) 0.2808(6) 0.7913(4) 0.0362(17) Uani 1 1 d . . . . .
H1A H 0.6844 0.2558 0.7497 0.043 Uiso 1 1 calc R U . . .
H1B H 0.7791 0.3280 0.8046 0.043 Uiso 1 1 calc R U . . .
C2 C 0.6503(7) 0.1821(6) 0.8191(3) 0.0335(16) Uani 1 1 d . . . . .
C3 C 0.7335(8) 0.1486(7) 0.8382(4) 0.047(2) Uani 1 1 d . . . . .
H3 H 0.8173 0.1895 0.8367 0.056 Uiso 1 1 calc R U . . .
C4 C 0.6910(9) 0.0527(8) 0.8601(4) 0.055(2) Uani 1 1 d . . . . .
H4 H 0.7454 0.0279 0.8744 0.066 Uiso 1 1 calc R U . . .
C5 C 0.5705(9) -0.0031(8) 0.8603(4) 0.055(2) Uani 1 1 d . . . . .
H5 H 0.5389 -0.0690 0.8739 0.066 Uiso 1 1 calc R U . . .
C6 C 0.4938(8) 0.0357(7) 0.8408(4) 0.050(2) Uani 1 1 d . . . . .
H6 H 0.4096 -0.0041 0.8419 0.060 Uiso 1 1 calc R U . . .
C7 C 0.6863(7) 0.4602(6) 0.8735(3) 0.0311(15) Uani 1 1 d . . . . .
H7A H 0.7738 0.4813 0.8736 0.037 Uiso 1 1 calc R U . . .
H7B H 0.6742 0.5265 0.8733 0.037 Uiso 1 1 calc R U . . .
C8 C 0.6488(6) 0.4227(5) 0.9273(3) 0.0279(14) Uani 1 1 d . . . . .
C9 C 0.7255(8) 0.4032(7) 0.9626(3) 0.0437(19) Uani 1 1 d . . . . .
H9 H 0.8022 0.4112 0.9523 0.052 Uiso 1 1 calc R U . . .
C10 C 0.6894(9) 0.3721(8) 1.0132(4) 0.053(2) Uani 1 1 d . . . . .
H10 H 0.7414 0.3599 1.0383 0.063 Uiso 1 1 calc R U . . .
C11 C 0.5776(9) 0.3593(7) 1.0263(4) 0.050(2) Uani 1 1 d . . . . .
H11 H 0.5505 0.3382 1.0606 0.060 Uiso 1 1 calc R U . . .
C12 C 0.5055(8) 0.3773(7) 0.9890(3) 0.0406(18) Uani 1 1 d . . . . .
H12 H 0.4278 0.3682 0.9983 0.049 Uiso 1 1 calc R U . . .
C13 C 0.6406(6) 0.4458(6) 0.7543(3) 0.0294(14) Uani 1 1 d . . . . .
H13A H 0.6008 0.3978 0.7170 0.035 Uiso 1 1 calc R U . . .
H13B H 0.6027 0.4963 0.7630 0.035 Uiso 1 1 calc R U . . .
C14 C 0.7720(6) 0.5129(5) 0.7486(3) 0.0259(13) Uani 1 1 d . . . . .
H14A H 0.8095 0.4634 0.7357 0.031 Uiso 1 1 calc R U . . .
H14B H 0.8149 0.5578 0.7861 0.031 Uiso 1 1 calc R U . . .
C15 C 0.9534(6) 0.6692(6) 0.7001(3) 0.0333(15) Uani 1 1 d . . . . .
H15A H 0.9903 0.6834 0.7396 0.040 Uiso 1 1 calc R U . . .
H15B H 0.9797 0.6192 0.6763 0.040 Uiso 1 1 calc R U . . .
C16 C 0.9998(6) 0.7768(6) 0.6796(3) 0.0313(15) Uani 1 1 d . . . . .
C17 C 1.1183(7) 0.8486(7) 0.6919(4) 0.0401(18) Uani 1 1 d . . . . .
H17 H 1.1731 0.8338 0.7137 0.048 Uiso 1 1 calc R U . . .
C18 C 1.1567(8) 0.9451(8) 0.6715(4) 0.055(2) Uani 1 1 d . . . . .
H18 H 1.2392 0.9968 0.6789 0.065 Uiso 1 1 calc R U . . .
C19 C 1.0764(9) 0.9648(7) 0.6413(4) 0.052(2) Uani 1 1 d . . . . .
H19 H 1.1013 1.0297 0.6269 0.062 Uiso 1 1 calc R U . . .
C20 C 0.9590(8) 0.8894(8) 0.6321(4) 0.054(2) Uani 1 1 d . . . . .
H20 H 0.9021 0.9041 0.6118 0.064 Uiso 1 1 calc R U . . .
C21 C 0.7575(6) 0.5567(5) 0.5779(3) 0.0245(13) Uani 1 1 d . . . . .
C22 C 0.8552(7) 0.5626(6) 0.5497(3) 0.0326(15) Uani 1 1 d . . . . .
H22 H 0.9076 0.5344 0.5623 0.039 Uiso 1 1 calc R U . . .
C23 C 0.8756(7) 0.6109(7) 0.5024(3) 0.0412(18) Uani 1 1 d . . . . .
H23 H 0.9416 0.6149 0.4820 0.049 Uiso 1 1 calc R U . . .
C24 C 0.7994(7) 0.6524(6) 0.4856(3) 0.0378(17) Uani 1 1 d . . . . .
H24 H 0.8132 0.6877 0.4543 0.045 Uiso 1 1 calc R U . . .
C25 C 0.7021(7) 0.6419(6) 0.5151(3) 0.0321(15) Uani 1 1 d . . . . .
H25 H 0.6484 0.6691 0.5029 0.038 Uiso 1 1 calc R U . . .
C26 C 0.7342(6) 0.5040(5) 0.6290(3) 0.0235(13) Uani 1 1 d . . . . .
H26A H 0.7738 0.4544 0.6269 0.028 Uiso 1 1 calc R U . . .
H26B H 0.6463 0.4592 0.6276 0.028 Uiso 1 1 calc R U . . .
C27 C 0.1937(6) 0.2722(5) 0.7560(3) 0.0225(12) Uani 1 1 d . . . . .
H27A H 0.1334 0.2739 0.7284 0.027 Uiso 1 1 calc R U . . .
H27B H 0.2607 0.2695 0.7352 0.027 Uiso 1 1 calc R U . . .
C28 C 0.1358(6) 0.1696(5) 0.7786(3) 0.0260(13) Uani 1 1 d . . . . .
C29 C 0.0113(6) 0.1166(6) 0.7764(3) 0.0306(14) Uani 1 1 d . . . . .
H29 H -0.0378 0.1462 0.7618 0.037 Uiso 1 1 calc R U . . .
C30 C -0.0408(7) 0.0210(6) 0.7955(4) 0.0393(17) Uani 1 1 d . . . . .
H30 H -0.1262 -0.0159 0.7940 0.047 Uiso 1 1 calc R U . . .
C31 C 0.0314(7) -0.0218(6) 0.8171(3) 0.0374(17) Uani 1 1 d . . . . .
H31 H -0.0026 -0.0876 0.8307 0.045 Uiso 1 1 calc R U . . .
C32 C 0.1564(7) 0.0361(6) 0.8179(3) 0.0323(15) Uani 1 1 d . . . . .
H32 H 0.2072 0.0078 0.8323 0.039 Uiso 1 1 calc R U . . .
C33 C 0.1233(7) 0.4018(6) 0.8439(3) 0.0304(15) Uani 1 1 d . . . . .
H33A H 0.1322 0.4776 0.8517 0.036 Uiso 1 1 calc R U . . .
H33B H 0.0497 0.3570 0.8167 0.036 Uiso 1 1 calc R U . . .
C34 C 0.1050(6) 0.3608(6) 0.8982(3) 0.0314(15) Uani 1 1 d . . . . .
C35 C 0.0148(9) 0.3656(12) 0.9270(4) 0.073(4) Uani 1 1 d . . . . .
H35 H -0.0360 0.3944 0.9132 0.088 Uiso 1 1 calc R U . . .
C36 C -0.0026(10) 0.3271(12) 0.9779(5) 0.080(4) Uani 1 1 d . . . . .
H36 H -0.0651 0.3303 0.9990 0.096 Uiso 1 1 calc R U . . .
C37 C 0.0697(8) 0.2857(9) 0.9964(4) 0.056(2) Uani 1 1 d . . . . .
H37 H 0.0601 0.2595 1.0307 0.067 Uiso 1 1 calc R U . . .
C38 C 0.1570(9) 0.2829(8) 0.9641(4) 0.054(2) Uani 1 1 d . . . . .
H38 H 0.2083 0.2536 0.9768 0.065 Uiso 1 1 calc R U . . .
C39 C 0.2782(6) 0.5003(5) 0.7654(3) 0.0273(14) Uani 1 1 d . . . . .
H39A H 0.1997 0.4858 0.7452 0.033 Uiso 1 1 calc R U . . .
H39B H 0.3116 0.5742 0.7897 0.033 Uiso 1 1 calc R U . . .
C40 C 0.3634(6) 0.4966(5) 0.7225(3) 0.0277(14) Uani 1 1 d . . . . .
H40A H 0.3245 0.4250 0.6960 0.033 Uiso 1 1 calc R U . . .
H40B H 0.4368 0.5004 0.7428 0.033 Uiso 1 1 calc R U . . .
C41 C 0.4577(6) 0.7285(5) 0.7353(3) 0.0286(14) Uani 1 1 d . . . . .
H41A H 0.3852 0.7304 0.7510 0.034 Uiso 1 1 calc R U . . .
H41B H 0.5100 0.7260 0.7666 0.034 Uiso 1 1 calc R U . . .
C42 C 0.5243(6) 0.8316(5) 0.7145(3) 0.0268(13) Uani 1 1 d . . . . .
C43 C 0.4710(7) 0.8976(6) 0.7063(3) 0.0387(17) Uani 1 1 d . . . . .
H43 H 0.3889 0.8769 0.7123 0.046 Uiso 1 1 calc R U . . .
C44 C 0.5366(8) 0.9951(6) 0.6894(4) 0.045(2) Uani 1 1 d . . . . .
H44 H 0.5006 1.0416 0.6831 0.054 Uiso 1 1 calc R U . . .
C45 C 0.6548(8) 1.0219(6) 0.6819(3) 0.0408(18) Uani 1 1 d . . . . .
H45 H 0.7033 1.0895 0.6720 0.049 Uiso 1 1 calc R U . . .
C46 C 0.7031(7) 0.9512(6) 0.6887(3) 0.0347(16) Uani 1 1 d . . . . .
H46 H 0.7842 0.9696 0.6815 0.042 Uiso 1 1 calc R U . . .
C47 C 0.2698(6) 0.5868(6) 0.6433(3) 0.0317(15) Uani 1 1 d . . . . .
H47A H 0.2173 0.5081 0.6296 0.038 Uiso 1 1 calc R U . . .
H47B H 0.2272 0.6163 0.6704 0.038 Uiso 1 1 calc R U . . .
C48 C 0.2881(6) 0.6430(5) 0.5935(3) 0.0267(13) Uani 1 1 d . . . . .
C49 C 0.2137(7) 0.6891(7) 0.5798(3) 0.0375(17) Uani 1 1 d . . . . .
H49 H 0.1523 0.6892 0.6025 0.045 Uiso 1 1 calc R U . . .
C50 C 0.2299(8) 0.7354(7) 0.5319(3) 0.0414(18) Uani 1 1 d . . . . .
H50 H 0.1820 0.7703 0.5223 0.050 Uiso 1 1 calc R U . . .
C51 C 0.3161(7) 0.7296(6) 0.4992(4) 0.0413(18) Uani 1 1 d . . . . .
H51 H 0.3269 0.7574 0.4653 0.050 Uiso 1 1 calc R U . . .
C52 C 0.3872(7) 0.6827(7) 0.5161(3) 0.0397(18) Uani 1 1 d . . . . .
H52 H 0.4486 0.6811 0.4937 0.048 Uiso 1 1 calc R U . . .
P5 P 0.7061(2) 0.76005(16) 0.87258(8) 0.0366(4) Uani 1 1 d . . . . .
F1 F 0.8166(8) 0.8649(6) 0.9080(3) 0.100(3) Uani 1 1 d . . . . .
F2 F 0.6147(8) 0.8032(6) 0.8965(4) 0.102(3) Uani 1 1 d . . . . .
F3 F 0.6931(6) 0.6979(5) 0.9230(2) 0.0682(16) Uani 1 1 d . . . . .
F4 F 0.7171(5) 0.8223(4) 0.8220(2) 0.0566(14) Uani 1 1 d . . . . .
F5 F 0.7964(5) 0.7159(5) 0.8486(3) 0.0720(17) Uani 1 1 d . . . . .
F6 F 0.5966(5) 0.6535(4) 0.8360(3) 0.0660(17) Uani 1 1 d . . . . .
P6 P -0.06062(16) 0.31104(15) 0.64848(8) 0.0294(4) Uani 1 1 d . . . . .
F7 F -0.0324(6) 0.3559(9) 0.7128(3) 0.126(4) Uani 1 1 d . . . . .
F8 F -0.1976(4) 0.2894(5) 0.6530(2) 0.0557(14) Uani 1 1 d . . . . .
F9 F -0.0899(6) 0.2593(7) 0.5829(3) 0.088(2) Uani 1 1 d . . . . .
F10 F -0.0866(5) 0.1924(6) 0.6587(4) 0.095(3) Uani 1 1 d . . . . .
F11 F 0.0775(4) 0.3345(4) 0.6448(2) 0.0401(10) Uani 1 1 d . . . . .
F12 F -0.0339(5) 0.4235(5) 0.6340(4) 0.103(3) Uani 1 1 d . . . . .
P7 P 0.40364(18) 0.21429(15) 0.62208(8) 0.0333(4) Uani 1 1 d . . . . .
F13 F 0.4433(4) 0.3421(4) 0.6385(2) 0.0529(13) Uani 1 1 d . . . . .
F14 F 0.4079(6) 0.2093(5) 0.6872(2) 0.0685(16) Uani 1 1 d . . . . .
F15 F 0.2661(5) 0.1942(5) 0.6204(3) 0.0649(15) Uani 1 1 d . . . . .
F16 F 0.3644(5) 0.0866(4) 0.6054(2) 0.0542(13) Uani 1 1 d . . . . .
F17 F 0.3970(6) 0.2195(5) 0.5571(2) 0.0702(17) Uani 1 1 d . . . . .
F18 F 0.5397(5) 0.2373(5) 0.6234(3) 0.0645(15) Uani 1 1 d . . . . .
P8 P 0.17002(19) 0.72930(16) 0.85263(8) 0.0348(4) Uani 1 1 d . . . . .
F19 F 0.2640(8) 0.8470(6) 0.8747(6) 0.151(5) Uani 1 1 d . . . . .
F20 F 0.1313(9) 0.7150(12) 0.9100(4) 0.174(6) Uani 1 1 d . . . . .
F21 F 0.0705(6) 0.7681(6) 0.8404(3) 0.0742(18) Uani 1 1 d . . . . .
F22 F 0.0836(9) 0.6163(6) 0.8206(6) 0.178(7) Uani 1 1 d . . . . .
F23 F 0.2132(10) 0.7440(13) 0.7931(3) 0.161(6) Uani 1 1 d . . . . .
F24 F 0.2713(6) 0.6907(6) 0.8646(2) 0.0697(18) Uani 1 1 d . . . . .
O1S O 0.6683(9) 0.8558(7) 1.0731(4) 0.084(3) Uani 1 1 d . . . . .
C2S C 0.6974(15) 0.9240(13) 1.0440(5) 0.086(4) Uani 1 1 d . . . . .
C3S C 0.6038(17) 0.9468(14) 1.0169(6) 0.122(7) Uani 1 1 d . . . . .
H3SA H 0.5238 0.8895 1.0193 0.183 Uiso 1 1 calc R U . . .
H3SB H 0.6154 0.9484 0.9771 0.183 Uiso 1 1 calc R U . . .
H3SC H 0.6100 1.0175 1.0365 0.183 Uiso 1 1 calc R U . . .
C4S C 0.8238(19) 0.9849(12) 1.0357(6) 0.113(6) Uani 1 1 d . . . . .
H4SA H 0.8550 1.0597 1.0577 0.170 Uiso 1 1 calc R U . . .
H4SB H 0.8296 0.9863 0.9954 0.170 Uiso 1 1 calc R U . . .
H4SC H 0.8715 0.9495 1.0485 0.170 Uiso 1 1 calc R U . . .
O5S O 0.3033(7) 0.1339(6) 0.4339(3) 0.0639(19) Uani 1 1 d . . . . .
C6S C 0.2825(11) 0.0582(9) 0.4580(4) 0.060(3) Uani 1 1 d . . . . .
C7S C 0.1652(12) 0.0090(10) 0.4820(5) 0.077(3) Uani 1 1 d . . . . .
H7SA H 0.1239 0.0560 0.4821 0.115 Uiso 1 1 calc R U . . .
H7SB H 0.1809 0.0020 0.5208 0.115 Uiso 1 1 calc R U . . .
H7SC H 0.1142 -0.0633 0.4586 0.115 Uiso 1 1 calc R U . . .
C8S C 0.3693(11) 0.0117(9) 0.4630(4) 0.070(3) Uani 1 1 d . . . . .
H8SA H 0.4289 0.0359 0.4364 0.104 Uiso 1 1 calc R U . . .
H8SB H 0.3263 -0.0680 0.4542 0.104 Uiso 1 1 calc R U . . .
H8SC H 0.4105 0.0364 0.5018 0.104 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
Ag1 Ag2 2.9037(7) . ?
Ag1 P1 2.4236(18) . ?
Ag1 N1 2.427(6) . ?
Ag1 N2 2.196(6) . ?
Ag2 P2 2.3785(17) . ?
Ag2 N3 2.203(6) . ?
Ag3 Ag4 2.9168(7) . ?
Ag3 P3 2.3811(17) . ?
Ag3 N5 2.209(6) . ?
Ag4 P4 2.3880(17) . ?
Ag4 N7 2.178(5) . ?
Ag4 N8 2.506(6) . ?
P1 C1 1.832(7) . ?
P1 C7 1.841(7) . ?
P1 C13 1.824(7) . ?
P2 C27 1.849(6) . ?
P2 C33 1.831(7) . ?
P2 C39 1.835(6) . ?
P3 C14 1.848(6) . ?
P3 C15 1.822(7) . ?
P3 C26 1.853(7) . ?
P4 C40 1.829(7) . ?
P4 C41 1.839(7) . ?
P4 C47 1.828(7) . ?
N1 C2 1.322(10) . ?
N1 C6 1.344(10) . ?
N2 C28 1.346(8) . ?
N2 C32 1.354(8) . ?
N3 C8 1.331(9) . ?
N3 C12 1.344(9) . ?
N4 C34 1.320(9) . ?
N4 C38 1.340(10) . ?
N5 C42 1.357(9) . ?
N5 C46 1.340(9) . ?
N6 C16 1.323(10) . ?
N6 C20 1.354(10) . ?
N7 C21 1.347(8) . ?
N7 C25 1.353(8) . ?
N8 C48 1.340(9) . ?
N8 C52 1.332(9) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.524(9) . ?
C2 C3 1.385(11) . ?
C3 H3 0.9500 . ?
C3 C4 1.410(12) . ?
C4 H4 0.9500 . ?
C4 C5 1.353(14) . ?
C5 H5 0.9500 . ?
C5 C6 1.371(12) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.498(9) . ?
C8 C9 1.388(10) . ?
C9 H9 0.9500 . ?
C9 C10 1.389(12) . ?
C10 H10 0.9500 . ?
C10 C11 1.367(13) . ?
C11 H11 0.9500 . ?
C11 C12 1.366(12) . ?
C12 H12 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.513(9) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.530(10) . ?
C16 C17 1.359(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.398(12) . ?
C18 H18 0.9500 . ?
C18 C19 1.353(14) . ?
C19 H19 0.9500 . ?
C19 C20 1.360(13) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(9) . ?
C21 C26 1.512(9) . ?
C22 H22 0.9500 . ?
C22 C23 1.398(11) . ?
C23 H23 0.9500 . ?
C23 C24 1.372(12) . ?
C24 H24 0.9500 . ?
C24 C25 1.382(10) . ?
C25 H25 0.9500 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.502(9) . ?
C28 C29 1.386(10) . ?
C29 H29 0.9500 . ?
C29 C30 1.373(10) . ?
C30 H30 0.9500 . ?
C30 C31 1.388(11) . ?
C31 H31 0.9500 . ?
C31 C32 1.400(10) . ?
C32 H32 0.9500 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.502(9) . ?
C34 C35 1.349(11) . ?
C35 H35 0.9500 . ?
C35 C36 1.407(13) . ?
C36 H36 0.9500 . ?
C36 C37 1.346(14) . ?
C37 H37 0.9500 . ?
C37 C38 1.359(13) . ?
C38 H38 0.9500 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.508(9) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C42 1.497(9) . ?
C42 C43 1.365(10) . ?
C43 H43 0.9500 . ?
C43 C44 1.389(11) . ?
C44 H44 0.9500 . ?
C44 C45 1.368(12) . ?
C45 H45 0.9500 . ?
C45 C46 1.369(11) . ?
C46 H46 0.9500 . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C48 1.515(9) . ?
C48 C49 1.378(10) . ?
C49 H49 0.9500 . ?
C49 C50 1.395(11) . ?
C50 H50 0.9500 . ?
C50 C51 1.366(12) . ?
C51 H51 0.9500 . ?
C51 C52 1.378(11) . ?
C52 H52 0.9500 . ?
P5 F1 1.584(7) . ?
P5 F2 1.565(6) . ?
P5 F3 1.582(5) . ?
P5 F4 1.588(5) . ?
P5 F5 1.561(6) . ?
P5 F6 1.599(5) . ?
P6 F7 1.537(6) . ?
P6 F8 1.594(5) . ?
P6 F9 1.579(6) . ?
P6 F10 1.599(6) . ?
P6 F11 1.599(4) . ?
P6 F12 1.554(6) . ?
P7 F13 1.593(5) . ?
P7 F14 1.583(5) . ?
P7 F15 1.593(6) . ?
P7 F16 1.592(5) . ?
P7 F17 1.581(5) . ?
P7 F18 1.566(5) . ?
P8 F19 1.529(8) . ?
P8 F20 1.497(7) . ?
P8 F21 1.568(5) . ?
P8 F22 1.514(8) . ?
P8 F23 1.565(8) . ?
P8 F24 1.585(5) . ?
O1S C2S 1.212(17) . ?
C2S C3S 1.477(19) . ?
C2S C4S 1.46(2) . ?
C3S H3SA 0.9800 . ?
C3S H3SB 0.9800 . ?
C3S H3SC 0.9800 . ?
C4S H4SA 0.9800 . ?
C4S H4SB 0.9800 . ?
C4S H4SC 0.9800 . ?
O5S C6S 1.221(12) . ?
C6S C7S 1.498(17) . ?
C6S C8S 1.473(13) . ?
C7S H7SA 0.9800 . ?
C7S H7SB 0.9800 . ?
C7S H7SC 0.9800 . ?
C8S H8SA 0.9800 . ?
C8S H8SB 0.9800 . ?
C8S H8SC 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 Ag2 77.99(4) . . ?
P1 Ag1 N1 77.54(17) . . ?
N1 Ag1 Ag2 130.23(18) . . ?
N2 Ag1 Ag2 91.17(14) . . ?
N2 Ag1 P1 160.80(14) . . ?
N2 Ag1 N1 121.1(2) . . ?
P2 Ag2 Ag1 88.45(4) . . ?
N3 Ag2 Ag1 87.28(15) . . ?
N3 Ag2 P2 175.27(16) . . ?
P3 Ag3 Ag4 89.56(5) . . ?
N5 Ag3 Ag4 87.44(15) . . ?
N5 Ag3 P3 176.92(16) . . ?
P4 Ag4 Ag3 78.61(4) . . ?
P4 Ag4 N8 76.81(14) . . ?
N7 Ag4 Ag3 88.18(15) . . ?
N7 Ag4 P4 162.74(15) . . ?
N7 Ag4 N8 120.4(2) . . ?
N8 Ag4 Ag3 127.65(15) . . ?
C1 P1 Ag1 101.6(3) . . ?
C1 P1 C7 105.6(4) . . ?
C7 P1 Ag1 118.8(2) . . ?
C13 P1 Ag1 122.0(2) . . ?
C13 P1 C1 104.0(3) . . ?
C13 P1 C7 102.8(3) . . ?
C27 P2 Ag2 112.5(2) . . ?
C33 P2 Ag2 109.0(2) . . ?
C33 P2 C27 105.6(3) . . ?
C33 P2 C39 101.1(3) . . ?
C39 P2 Ag2 125.7(2) . . ?
C39 P2 C27 100.7(3) . . ?
C14 P3 Ag3 125.6(2) . . ?
C14 P3 C26 102.1(3) . . ?
C15 P3 Ag3 109.0(2) . . ?
C15 P3 C14 100.8(3) . . ?
C15 P3 C26 105.5(3) . . ?
C26 P3 Ag3 111.8(2) . . ?
C40 P4 Ag4 120.4(2) . . ?
C40 P4 C41 102.9(3) . . ?
C41 P4 Ag4 118.5(2) . . ?
C47 P4 Ag4 103.7(2) . . ?
C47 P4 C40 105.0(3) . . ?
C47 P4 C41 104.7(3) . . ?
C2 N1 Ag1 118.1(5) . . ?
C2 N1 C6 118.0(7) . . ?
C6 N1 Ag1 122.0(5) . . ?
C28 N2 Ag1 122.4(4) . . ?
C28 N2 C32 118.0(6) . . ?
C32 N2 Ag1 119.4(4) . . ?
C8 N3 Ag2 124.0(5) . . ?
C8 N3 C12 118.6(6) . . ?
C12 N3 Ag2 116.9(5) . . ?
C34 N4 C38 117.9(7) . . ?
C42 N5 Ag3 121.0(4) . . ?
C46 N5 Ag3 120.4(5) . . ?
C46 N5 C42 118.0(6) . . ?
C16 N6 C20 117.3(7) . . ?
C21 N7 Ag4 123.8(4) . . ?
C21 N7 C25 118.3(6) . . ?
C25 N7 Ag4 117.5(4) . . ?
C48 N8 Ag4 117.0(4) . . ?
C52 N8 Ag4 123.2(5) . . ?
C52 N8 C48 117.5(6) . . ?
P1 C1 H1A 109.1 . . ?
P1 C1 H1B 109.1 . . ?
H1A C1 H1B 107.8 . . ?
C2 C1 P1 112.7(5) . . ?
C2 C1 H1A 109.1 . . ?
C2 C1 H1B 109.1 . . ?
N1 C2 C1 117.5(6) . . ?
N1 C2 C3 122.7(7) . . ?
C3 C2 C1 119.7(7) . . ?
C2 C3 H3 120.7 . . ?
C2 C3 C4 118.5(8) . . ?
C4 C3 H3 120.7 . . ?
C3 C4 H4 121.0 . . ?
C5 C4 C3 118.0(8) . . ?
C5 C4 H4 121.0 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0(8) . . ?
C6 C5 H5 120.0 . . ?
N1 C6 C5 122.7(9) . . ?
N1 C6 H6 118.6 . . ?
C5 C6 H6 118.6 . . ?
P1 C7 H7A 108.3 . . ?
P1 C7 H7B 108.3 . . ?
H7A C7 H7B 107.4 . . ?
C8 C7 P1 116.0(5) . . ?
C8 C7 H7A 108.3 . . ?
C8 C7 H7B 108.3 . . ?
N3 C8 C7 117.8(6) . . ?
N3 C8 C9 121.2(7) . . ?
C9 C8 C7 121.1(7) . . ?
C8 C9 H9 120.3 . . ?
C8 C9 C10 119.5(8) . . ?
C10 C9 H9 120.3 . . ?
C9 C10 H10 120.6 . . ?
C11 C10 C9 118.7(8) . . ?
C11 C10 H10 120.6 . . ?
C10 C11 H11 120.6 . . ?
C12 C11 C10 118.8(8) . . ?
C12 C11 H11 120.6 . . ?
N3 C12 C11 123.2(8) . . ?
N3 C12 H12 118.4 . . ?
C11 C12 H12 118.4 . . ?
P1 C13 H13A 107.9 . . ?
P1 C13 H13B 107.9 . . ?
H13A C13 H13B 107.2 . . ?
C14 C13 P1 117.6(5) . . ?
C14 C13 H13A 107.9 . . ?
C14 C13 H13B 107.9 . . ?
P3 C14 H14A 109.3 . . ?
P3 C14 H14B 109.3 . . ?
C13 C14 P3 111.7(4) . . ?
C13 C14 H14A 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 107.9 . . ?
P3 C15 H15A 108.9 . . ?
P3 C15 H15B 108.9 . . ?
H15A C15 H15B 107.8 . . ?
C16 C15 P3 113.2(5) . . ?
C16 C15 H15A 108.9 . . ?
C16 C15 H15B 108.9 . . ?
N6 C16 C15 116.6(6) . . ?
N6 C16 C17 123.5(7) . . ?
C17 C16 C15 119.8(7) . . ?
C16 C17 H17 121.1 . . ?
C16 C17 C18 117.8(8) . . ?
C18 C17 H17 121.1 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.9(8) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 H19 120.8 . . ?
C18 C19 C20 118.3(8) . . ?
C20 C19 H19 120.8 . . ?
N6 C20 C19 123.2(8) . . ?
N6 C20 H20 118.4 . . ?
C19 C20 H20 118.4 . . ?
N7 C21 C22 122.0(6) . . ?
N7 C21 C26 118.7(5) . . ?
C22 C21 C26 119.3(6) . . ?
C21 C22 H22 120.5 . . ?
C21 C22 C23 119.0(7) . . ?
C23 C22 H22 120.5 . . ?
C22 C23 H23 120.3 . . ?
C24 C23 C22 119.3(7) . . ?
C24 C23 H23 120.3 . . ?
C23 C24 H24 120.7 . . ?
C23 C24 C25 118.6(7) . . ?
C25 C24 H24 120.7 . . ?
N7 C25 C24 122.8(7) . . ?
N7 C25 H25 118.6 . . ?
C24 C25 H25 118.6 . . ?
P3 C26 H26A 108.8 . . ?
P3 C26 H26B 108.8 . . ?
C21 C26 P3 113.8(4) . . ?
C21 C26 H26A 108.8 . . ?
C21 C26 H26B 108.8 . . ?
H26A C26 H26B 107.7 . . ?
P2 C27 H27A 108.5 . . ?
P2 C27 H27B 108.5 . . ?
H27A C27 H27B 107.5 . . ?
C28 C27 P2 115.0(4) . . ?
C28 C27 H27A 108.5 . . ?
C28 C27 H27B 108.5 . . ?
N2 C28 C27 117.8(6) . . ?
N2 C28 C29 121.9(6) . . ?
C29 C28 C27 120.3(6) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 C28 119.7(6) . . ?
C30 C29 H29 120.1 . . ?
C29 C30 H30 120.1 . . ?
C29 C30 C31 119.9(7) . . ?
C31 C30 H30 120.1 . . ?
C30 C31 H31 121.3 . . ?
C30 C31 C32 117.3(7) . . ?
C32 C31 H31 121.3 . . ?
N2 C32 C31 123.1(6) . . ?
N2 C32 H32 118.4 . . ?
C31 C32 H32 118.4 . . ?
P2 C33 H33A 108.4 . . ?
P2 C33 H33B 108.4 . . ?
H33A C33 H33B 107.5 . . ?
C34 C33 P2 115.5(5) . . ?
C34 C33 H33A 108.4 . . ?
C34 C33 H33B 108.4 . . ?
N4 C34 C33 119.2(6) . . ?
N4 C34 C35 122.1(7) . . ?
C35 C34 C33 118.6(7) . . ?
C34 C35 H35 120.6 . . ?
C34 C35 C36 118.7(8) . . ?
C36 C35 H35 120.6 . . ?
C35 C36 H36 120.1 . . ?
C37 C36 C35 119.7(9) . . ?
C37 C36 H36 120.1 . . ?
C36 C37 H37 121.4 . . ?
C36 C37 C38 117.2(8) . . ?
C38 C37 H37 121.4 . . ?
N4 C38 C37 124.2(8) . . ?
N4 C38 H38 117.9 . . ?
C37 C38 H38 117.9 . . ?
P2 C39 H39A 109.2 . . ?
P2 C39 H39B 109.2 . . ?
H39A C39 H39B 107.9 . . ?
C40 C39 P2 112.1(4) . . ?
C40 C39 H39A 109.2 . . ?
C40 C39 H39B 109.2 . . ?
P4 C40 H40A 108.1 . . ?
P4 C40 H40B 108.1 . . ?
C39 C40 P4 116.6(5) . . ?
C39 C40 H40A 108.1 . . ?
C39 C40 H40B 108.1 . . ?
H40A C40 H40B 107.3 . . ?
P4 C41 H41A 108.6 . . ?
P4 C41 H41B 108.6 . . ?
H41A C41 H41B 107.6 . . ?
C42 C41 P4 114.5(5) . . ?
C42 C41 H41A 108.6 . . ?
C42 C41 H41B 108.6 . . ?
N5 C42 C41 117.1(6) . . ?
N5 C42 C43 121.6(6) . . ?
C43 C42 C41 121.3(6) . . ?
C42 C43 H43 120.0 . . ?
C42 C43 C44 120.1(7) . . ?
C44 C43 H43 120.0 . . ?
C43 C44 H44 121.1 . . ?
C45 C44 C43 117.8(7) . . ?
C45 C44 H44 121.1 . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C46 120.0(7) . . ?
C46 C45 H45 120.0 . . ?
N5 C46 C45 122.4(7) . . ?
N5 C46 H46 118.8 . . ?
C45 C46 H46 118.8 . . ?
P4 C47 H47A 108.8 . . ?
P4 C47 H47B 108.8 . . ?
H47A C47 H47B 107.7 . . ?
C48 C47 P4 113.9(5) . . ?
C48 C47 H47A 108.8 . . ?
C48 C47 H47B 108.8 . . ?
N8 C48 C47 116.6(6) . . ?
N8 C48 C49 122.5(6) . . ?
C49 C48 C47 120.7(6) . . ?
C48 C49 H49 120.5 . . ?
C48 C49 C50 119.0(7) . . ?
C50 C49 H49 120.5 . . ?
C49 C50 H50 120.7 . . ?
C51 C50 C49 118.5(7) . . ?
C51 C50 H50 120.7 . . ?
C50 C51 H51 120.6 . . ?
C50 C51 C52 118.7(7) . . ?
C52 C51 H51 120.6 . . ?
N8 C52 C51 123.7(7) . . ?
N8 C52 H52 118.2 . . ?
C51 C52 H52 118.2 . . ?
F1 P5 F4 89.0(4) . . ?
F1 P5 F6 178.7(5) . . ?
F2 P5 F1 91.2(5) . . ?
F2 P5 F3 89.7(3) . . ?
F2 P5 F4 89.5(3) . . ?
F2 P5 F6 90.1(5) . . ?
F3 P5 F1 91.5(4) . . ?
F3 P5 F4 179.1(4) . . ?
F3 P5 F6 88.9(3) . . ?
F4 P5 F6 90.7(3) . . ?
F5 P5 F1 89.3(4) . . ?
F5 P5 F2 179.5(4) . . ?
F5 P5 F3 90.0(3) . . ?
F5 P5 F4 90.8(3) . . ?
F5 P5 F6 89.5(4) . . ?
F7 P6 F8 89.0(3) . . ?
F7 P6 F9 177.1(6) . . ?
F7 P6 F10 89.9(6) . . ?
F7 P6 F11 90.2(3) . . ?
F7 P6 F12 94.1(6) . . ?
F8 P6 F10 92.1(3) . . ?
F8 P6 F11 179.0(3) . . ?
F9 P6 F8 91.5(3) . . ?
F9 P6 F10 87.3(5) . . ?
F9 P6 F11 89.4(3) . . ?
F10 P6 F11 88.4(3) . . ?
F12 P6 F8 89.4(3) . . ?
F12 P6 F9 88.8(5) . . ?
F12 P6 F10 175.8(5) . . ?
F12 P6 F11 90.1(3) . . ?
F14 P7 F13 89.9(3) . . ?
F14 P7 F15 90.2(3) . . ?
F14 P7 F16 90.2(3) . . ?
F15 P7 F13 89.0(3) . . ?
F16 P7 F13 179.8(4) . . ?
F16 P7 F15 91.1(3) . . ?
F17 P7 F13 89.7(3) . . ?
F17 P7 F14 178.9(4) . . ?
F17 P7 F15 88.7(4) . . ?
F17 P7 F16 90.1(3) . . ?
F18 P7 F13 89.5(3) . . ?
F18 P7 F14 90.4(4) . . ?
F18 P7 F15 178.4(3) . . ?
F18 P7 F16 90.3(3) . . ?
F18 P7 F17 90.7(4) . . ?
F19 P8 F21 91.3(5) . . ?
F19 P8 F23 86.4(8) . . ?
F19 P8 F24 88.5(5) . . ?
F20 P8 F19 93.2(8) . . ?
F20 P8 F21 90.2(4) . . ?
F20 P8 F22 96.9(9) . . ?
F20 P8 F23 178.7(4) . . ?
F20 P8 F24 90.2(4) . . ?
F21 P8 F24 179.5(4) . . ?
F22 P8 F19 169.9(8) . . ?
F22 P8 F21 88.2(4) . . ?
F22 P8 F23 83.5(8) . . ?
F22 P8 F24 91.9(4) . . ?
F23 P8 F21 91.1(4) . . ?
F23 P8 F24 88.5(4) . . ?
O1S C2S C3S 119.3(17) . . ?
O1S C2S C4S 121.3(14) . . ?
C4S C2S C3S 119.4(17) . . ?
C2S C3S H3SA 109.5 . . ?
C2S C3S H3SB 109.5 . . ?
C2S C3S H3SC 109.5 . . ?
H3SA C3S H3SB 109.5 . . ?
H3SA C3S H3SC 109.5 . . ?
H3SB C3S H3SC 109.5 . . ?
C2S C4S H4SA 109.5 . . ?
C2S C4S H4SB 109.5 . . ?
C2S C4S H4SC 109.5 . . ?
H4SA C4S H4SB 109.5 . . ?
H4SA C4S H4SC 109.5 . . ?
H4SB C4S H4SC 109.5 . . ?
O5S C6S C7S 120.0(9) . . ?
O5S C6S C8S 121.4(12) . . ?
C8S C6S C7S 118.5(10) . . ?
C6S C7S H7SA 109.5 . . ?
C6S C7S H7SB 109.5 . . ?
C6S C7S H7SC 109.5 . . ?
H7SA C7S H7SB 109.5 . . ?
H7SA C7S H7SC 109.5 . . ?
H7SB C7S H7SC 109.5 . . ?
C6S C8S H8SA 109.5 . . ?
C6S C8S H8SB 109.5 . . ?
C6S C8S H8SC 109.5 . . ?
H8SA C8S H8SB 109.5 . . ?
H8SA C8S H8SC 109.5 . . ?
H8SB C8S H8SC 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.907(2)
2 0.093(2)

####################################################################### 
# 
# 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_anb607
_database_code_depnum_ccdc_archive 'CCDC 2292654'
loop_
_audit_author_name
_audit_author_address
'Irina Bagryanskaya'
;Institute of Organic Chemistry, Novosibirsk
Russia
;
_audit_update_record             
;
2023-09-04 deposited with the CCDC.	2025-06-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        
;
 Gold(I) iodide complex with 1,2-bis(dipyridin-2-ylmethylphosphino)ethane
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C52 H56 Au2 I2 N8 P4'
_chemical_formula_sum            'C52 H56 Au2 I2 N8 P4'
_chemical_formula_weight         1564.66

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   44.2073(19)
_cell_length_b                   13.8208(6)
_cell_length_c                   18.4512(9)
_cell_angle_alpha                90
_cell_angle_beta                 93.978(3)
_cell_angle_gamma                90
_cell_volume                     11246.2(9)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9964
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      27.36

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.848
_exptl_crystal_F_000             5984
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    6.465
_shelx_estimated_absorpt_T_min   0.182
_shelx_estimated_absorpt_T_max   0.564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5521
_exptl_absorpt_correction_T_max  0.8014
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            70766
_diffrn_reflns_av_unetI/netI     0.0508
_diffrn_reflns_av_R_equivalents  0.0673
_diffrn_reflns_limit_h_min       -57
_diffrn_reflns_limit_h_max       57
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.338
_diffrn_reflns_theta_max         27.584
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             12957
_reflns_number_gt                9047
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0291P)²+61.9128P] 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_number_reflns         12957
_refine_ls_number_parameters     613
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0423
_refine_ls_wR_factor_ref         0.0965
_refine_ls_wR_factor_gt          0.0828
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.019
_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 0.51442(2) 0.60092(2) 0.49845(2) 0.05375(9) Uani 1 1 d . . . . .
I1 I 0.54692(2) 0.46983(4) 0.62670(3) 0.06912(15) Uani 1 1 d . . . . .
Au2 Au 0.23781(2) 0.64483(2) 0.51026(2) 0.04545(8) Uani 1 1 d . . . . .
I2 I 0.20117(2) 0.77482(3) 0.39041(2) 0.05512(12) Uani 1 1 d . . . . .
P2 P 0.54827(3) 0.57999(11) 0.41094(8) 0.0405(3) Uani 1 1 d . . . . .
P1 P 0.48833(4) 0.67645(11) 0.58574(8) 0.0411(3) Uani 1 1 d . . . . .
P3 P 0.26330(3) 0.56558(10) 0.42402(7) 0.0343(3) Uani 1 1 d . . . . .
P4 P 0.20376(3) 0.67106(10) 0.59635(7) 0.0364(3) Uani 1 1 d . . . . .
N6 N 0.22764(15) 0.3561(4) 0.4439(4) 0.0721(17) Uani 1 1 d . . . . .
N5 N 0.12519(13) 0.7158(5) 0.5899(3) 0.0696(17) Uani 1 1 d . . . . .
N8 N 0.19988(15) 0.4540(4) 0.6923(3) 0.0701(17) Uani 1 1 d . . . . .
N1 N 0.62607(14) 0.5327(5) 0.4025(3) 0.0677(16) Uani 1 1 d . . . . .
C1 C 0.46938(14) 0.6021(4) 0.6507(3) 0.0455(14) Uani 1 1 d . . . . .
H2 H 0.484242 0.558755 0.674245 0.055 Uiso 1 1 calc R U . . .
H1 H 0.462155 0.644225 0.687813 0.055 Uiso 1 1 calc R U . . .
C2 C 0.44264(13) 0.5416(4) 0.6190(3) 0.0488(15) Uani 1 1 d . . . . .
H22 H 0.433005 0.576280 0.577905 0.059 Uiso 1 1 calc R U . . .
H3 H 0.427923 0.536317 0.655392 0.059 Uiso 1 1 calc R U . . .
N3 N 0.44730(13) 0.8395(4) 0.6630(3) 0.0582(14) Uani 1 1 d . . . . .
C3 C 0.58508(14) 0.6297(5) 0.4446(3) 0.0544(16) Uani 1 1 d . . . . .
H4 H 0.582558 0.698405 0.452873 0.065 Uiso 1 1 calc R U . . .
H9 H 0.590742 0.600118 0.491241 0.065 Uiso 1 1 calc R U . . .
N4 N 0.55204(13) 0.8114(4) 0.3416(3) 0.0674(16) Uani 1 1 d . . . . .
C4 C 0.61119(14) 0.6164(5) 0.3962(3) 0.0509(15) Uani 1 1 d . . . . .
C5 C 0.61895(16) 0.6875(6) 0.3496(4) 0.073(2) Uani 1 1 d . . . . .
H8 H 0.608170 0.745286 0.346470 0.088 Uiso 1 1 calc R U . . .
C6 C 0.64312(18) 0.6723(7) 0.3069(5) 0.092(3) Uani 1 1 d . . . . .
H7 H 0.648654 0.719762 0.274585 0.111 Uiso 1 1 calc R U . . .
C7 C 0.65846(17) 0.5884(8) 0.3125(5) 0.084(3) Uani 1 1 d . . . . .
H6 H 0.674802 0.576794 0.284610 0.101 Uiso 1 1 calc R U . . .
C8 C 0.64941(17) 0.5204(6) 0.3605(4) 0.075(2) Uani 1 1 d . . . . .
H5 H 0.660043 0.462354 0.364242 0.090 Uiso 1 1 calc R U . . .
C9 C 0.53789(15) 0.6446(4) 0.3267(3) 0.0476(15) Uani 1 1 d . . . . .
H10 H 0.554859 0.642902 0.296123 0.057 Uiso 1 1 calc R U . . .
H11 H 0.520985 0.611624 0.301092 0.057 Uiso 1 1 calc R U . . .
C10 C 0.52920(14) 0.7488(4) 0.3392(3) 0.0474(15) Uani 1 1 d . . . . .
C12 C 0.54479(19) 0.9052(6) 0.3508(5) 0.087(3) Uani 1 1 d . . . . .
H15 H 0.560410 0.950433 0.352465 0.105 Uiso 1 1 calc R U . . .
C13 C 0.51590(18) 0.9383(5) 0.3578(5) 0.081(2) Uani 1 1 d . . . . .
H12 H 0.511986 1.003912 0.363275 0.097 Uiso 1 1 calc R U . . .
C14 C 0.49316(19) 0.8720(6) 0.3566(5) 0.081(2) Uani 1 1 d . . . . .
H13 H 0.473311 0.891736 0.361748 0.097 Uiso 1 1 calc R U . . .
C15 C 0.49958(15) 0.7763(5) 0.3477(4) 0.0633(19) Uani 1 1 d . . . . .
H14 H 0.484252 0.730169 0.347458 0.076 Uiso 1 1 calc R U . . .
C16 C 0.51511(14) 0.7449(5) 0.6467(3) 0.0528(16) Uani 1 1 d . . . . .
H21 H 0.503701 0.789196 0.675120 0.063 Uiso 1 1 calc R U . . .
H17 H 0.525532 0.699945 0.680261 0.063 Uiso 1 1 calc R U . . .
C20 C 0.56799(18) 0.7689(8) 0.6103(5) 0.093(3) Uani 1 1 d . U . . .
H20A H 0.573827 0.709918 0.631025 0.112 Uiso 1 1 calc R U . . .
C17 C 0.53806(16) 0.8008(5) 0.6096(4) 0.0610(19) Uani 1 1 d . U . . .
N2 N 0.52865(18) 0.8819(5) 0.5776(4) 0.090(2) Uani 1 1 d . U . . .
C18 C 0.5496(3) 0.9346(8) 0.5453(6) 0.127(4) Uani 1 1 d . U . . .
H18A H 0.543146 0.990128 0.520292 0.152 Uiso 1 1 calc R U . . .
C19 C 0.5794(3) 0.9120(11) 0.5470(7) 0.138(5) Uani 1 1 d . U . . .
H19A H 0.593045 0.953400 0.526726 0.165 Uiso 1 1 calc R U . . .
C11 C 0.5889(3) 0.8284(11) 0.5787(7) 0.126(5) Uani 1 1 d . U . . .
H11A H 0.609203 0.810668 0.579472 0.152 Uiso 1 1 calc R U . . .
C21 C 0.45987(15) 0.7639(5) 0.5504(3) 0.0538(16) Uani 1 1 d . . . . .
H27 H 0.470326 0.821376 0.535325 0.065 Uiso 1 1 calc R U . . .
H28 H 0.449266 0.736386 0.507464 0.065 Uiso 1 1 calc R U . . .
C22 C 0.43661(15) 0.7941(5) 0.6022(4) 0.0523(16) Uani 1 1 d . . . . .
C23 C 0.4270(2) 0.8651(5) 0.7109(4) 0.073(2) Uani 1 1 d . . . . .
H26 H 0.434107 0.896435 0.753350 0.088 Uiso 1 1 calc R U . . .
C24 C 0.3967(2) 0.8476(7) 0.7004(6) 0.092(3) Uani 1 1 d . . . . .
H23 H 0.383571 0.866078 0.735069 0.110 Uiso 1 1 calc R U . . .
C25 C 0.3861(2) 0.8028(8) 0.6387(7) 0.106(3) Uani 1 1 d . . . . .
H25 H 0.365497 0.790946 0.630120 0.128 Uiso 1 1 calc R U . . .
C26 C 0.40637(18) 0.7745(7) 0.5881(5) 0.085(2) Uani 1 1 d . . . . .
H24 H 0.399507 0.742874 0.545548 0.102 Uiso 1 1 calc R U . . .
C43 C 0.29345(13) 0.4859(4) 0.4618(3) 0.0426(13) Uani 1 1 d . . . . .
H52 H 0.303717 0.518110 0.503184 0.051 Uiso 1 1 calc R U . . .
H53 H 0.284127 0.427841 0.479650 0.051 Uiso 1 1 calc R U . . .
N7 N 0.30714(12) 0.4037(4) 0.3528(3) 0.0554(14) Uani 1 1 d . . . . .
C52 C 0.3276(2) 0.3776(5) 0.3064(4) 0.070(2) Uani 1 1 d . . . . .
H52A H 0.321118 0.340842 0.266020 0.084 Uiso 1 1 calc R U . . .
C27 C 0.23800(14) 0.4905(5) 0.3650(3) 0.0479(15) Uani 1 1 d . . . . .
H33 H 0.226528 0.532124 0.330846 0.058 Uiso 1 1 calc R U . . .
H34 H 0.250193 0.447733 0.337226 0.058 Uiso 1 1 calc R U . . .
C28 C 0.21601(15) 0.4300(5) 0.4051(4) 0.0515(16) Uani 1 1 d . . . . .
C29 C 0.18555(18) 0.4503(7) 0.4009(5) 0.089(3) Uani 1 1 d . . . . .
H29 H 0.177899 0.502142 0.373158 0.107 Uiso 1 1 calc R U . . .
C30 C 0.1665(2) 0.3929(10) 0.4382(7) 0.123(4) Uani 1 1 d . . . . .
H30 H 0.145829 0.406313 0.437265 0.148 Uiso 1 1 calc R U . . .
C31 C 0.1784(3) 0.3160(9) 0.4765(6) 0.112(4) Uani 1 1 d . . . . .
H32 H 0.165941 0.274265 0.500431 0.134 Uiso 1 1 calc R U . . .
C32 C 0.2087(2) 0.3015(6) 0.4791(5) 0.091(3) Uani 1 1 d . . . . .
H31 H 0.216754 0.250494 0.507159 0.109 Uiso 1 1 calc R U . . .
C33 C 0.28073(13) 0.6389(4) 0.3562(3) 0.0404(13) Uani 1 1 d . . . . .
H35 H 0.288228 0.595793 0.319998 0.049 Uiso 1 1 calc R U . . .
H36 H 0.265105 0.678886 0.331912 0.049 Uiso 1 1 calc R U . . .
C34 C 0.30670(13) 0.7045(4) 0.3841(3) 0.0434(14) Uani 1 1 d . . . . .
H37 H 0.321757 0.705561 0.348317 0.052 Uiso 1 1 calc R U . . .
H38 H 0.316180 0.676201 0.428156 0.052 Uiso 1 1 calc R U . . .
C35 C 0.16748(13) 0.6131(5) 0.5683(3) 0.0489(15) Uani 1 1 d . . . . .
H43 H 0.162301 0.629792 0.517946 0.059 Uiso 1 1 calc R U . . .
H44 H 0.170389 0.543590 0.570534 0.059 Uiso 1 1 calc R U . . .
C36 C 0.14082(14) 0.6379(5) 0.6114(4) 0.0520(16) Uani 1 1 d . . . . .
C37 C 0.13338(17) 0.5836(6) 0.6697(5) 0.075(2) Uani 1 1 d . . . . .
H39 H 0.144889 0.529789 0.684247 0.091 Uiso 1 1 calc R U . . .
C38 C 0.1084(2) 0.6103(8) 0.7068(5) 0.098(3) Uani 1 1 d . . . . .
H40 H 0.102758 0.574527 0.746407 0.118 Uiso 1 1 calc R U . . .
C39 C 0.09230(18) 0.6895(8) 0.6840(5) 0.093(3) Uani 1 1 d . . . . .
H42 H 0.075444 0.709294 0.707571 0.111 Uiso 1 1 calc R U . . .
C40 C 0.10131(18) 0.7390(7) 0.6264(5) 0.084(3) Uani 1 1 d . . . . .
H41 H 0.090063 0.792985 0.611063 0.101 Uiso 1 1 calc R U . . .
C41 C 0.21564(16) 0.6191(4) 0.6859(3) 0.0497(15) Uani 1 1 d . . . . .
H51 H 0.233643 0.652295 0.705991 0.060 Uiso 1 1 calc R U . . .
H45 H 0.199690 0.628429 0.718719 0.060 Uiso 1 1 calc R U . . .
C42 C 0.22220(16) 0.5136(4) 0.6793(3) 0.0492(15) Uani 1 1 d . . . . .
C47 C 0.25005(17) 0.4806(5) 0.6605(3) 0.0611(18) Uani 1 1 d . . . . .
H47 H 0.265530 0.523909 0.652226 0.073 Uiso 1 1 calc R U . . .
C44 C 0.2546(2) 0.3815(6) 0.6539(4) 0.077(2) Uani 1 1 d . . . . .
H46 H 0.273051 0.357369 0.640461 0.093 Uiso 1 1 calc R U . . .
C45 C 0.2314(2) 0.3202(6) 0.6677(5) 0.084(3) Uani 1 1 d . . . . .
H49 H 0.233572 0.253503 0.663861 0.101 Uiso 1 1 calc R U . . .
C46 C 0.2051(2) 0.3595(6) 0.6869(5) 0.090(3) Uani 1 1 d . . . . .
H48 H 0.189532 0.317414 0.697123 0.108 Uiso 1 1 calc R U . . .
C48 C 0.31711(13) 0.4557(4) 0.4105(3) 0.0433(14) Uani 1 1 d . . . . .
C49 C 0.3575(2) 0.4020(7) 0.3152(5) 0.085(3) Uani 1 1 d . . . . .
H54 H 0.371023 0.381723 0.281885 0.102 Uiso 1 1 calc R U . . .
C50 C 0.36729(17) 0.4567(8) 0.3739(5) 0.089(3) Uani 1 1 d . . . . .
H55 H 0.387562 0.474521 0.381143 0.107 Uiso 1 1 calc R U . . .
C51 C 0.34663(15) 0.4848(6) 0.4222(4) 0.067(2) Uani 1 1 d . . . . .
H56 H 0.352631 0.523056 0.462090 0.081 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 P2 2.2946(14) . ?
Au1 P1 2.2961(14) . ?
Au1 Au1 3.0695(5) 5_666 ?
Au1 I1 3.2365(6) . ?
Au2 P4 2.2919(13) . ?
Au2 P3 2.2913(13) . ?
Au2 Au2 3.1324(5) 7_566 ?
Au2 I2 3.2009(5) . ?
P2 C9 1.823(6) . ?
P2 C2 1.822(6) 5_666 ?
P2 C3 1.834(6) . ?
P1 C1 1.825(6) . ?
P1 C21 1.831(6) . ?
P1 C16 1.838(6) . ?
P3 C33 1.822(5) . ?
P3 C43 1.829(6) . ?
P3 C27 1.829(6) . ?
P4 C34 1.824(6) 7_566 ?
P4 C35 1.835(6) . ?
P4 C41 1.843(6) . ?
N6 C32 1.330(10) . ?
N6 C28 1.330(9) . ?
N5 C36 1.324(9) . ?
N5 C40 1.330(9) . ?
N8 C42 1.320(8) . ?
N8 C46 1.332(10) . ?
N1 C4 1.332(9) . ?
N1 C8 1.343(9) . ?
C1 C2 1.531(8) . ?
C1 H2 0.9700 . ?
C1 H1 0.9700 . ?
C2 H22 0.9700 . ?
C2 H3 0.9700 . ?
N3 C23 1.349(9) . ?
N3 C22 1.342(8) . ?
C3 C4 1.519(9) . ?
C3 H4 0.9700 . ?
C3 H9 0.9700 . ?
N4 C10 1.328(8) . ?
N4 C12 1.350(9) . ?
C4 C5 1.365(10) . ?
C5 C6 1.387(10) . ?
C5 H8 0.9300 . ?
C6 C7 1.344(12) . ?
C6 H7 0.9300 . ?
C7 C8 1.369(11) . ?
C7 H6 0.9300 . ?
C8 H5 0.9300 . ?
C9 C10 1.513(8) . ?
C9 H10 0.9700 . ?
C9 H11 0.9700 . ?
C10 C15 1.383(9) . ?
C12 C13 1.371(10) . ?
C12 H15 0.9300 . ?
C13 C14 1.359(11) . ?
C13 H12 0.9300 . ?
C14 C15 1.365(10) . ?
C14 H13 0.9300 . ?
C15 H14 0.9300 . ?
C16 C17 1.480(9) . ?
C16 H21 0.9700 . ?
C16 H17 0.9700 . ?
C20 C17 1.394(11) . ?
C20 C11 1.394(14) . ?
C20 H20A 0.9300 . ?
C17 N2 1.322(10) . ?
N2 C18 1.349(11) . ?
C18 C19 1.350(17) . ?
C18 H18A 0.9300 . ?
C19 C11 1.349(18) . ?
C19 H19A 0.9300 . ?
C11 H11A 0.9300 . ?
C21 C22 1.511(9) . ?
C21 H27 0.9700 . ?
C21 H28 0.9700 . ?
C22 C26 1.371(10) . ?
C23 C24 1.361(12) . ?
C23 H26 0.9300 . ?
C24 C25 1.350(13) . ?
C24 H23 0.9300 . ?
C25 C26 1.394(12) . ?
C25 H25 0.9300 . ?
C26 H24 0.9300 . ?
C43 C48 1.516(8) . ?
C43 H52 0.9700 . ?
C43 H53 0.9700 . ?
N7 C52 1.339(8) . ?
N7 C48 1.334(7) . ?
C52 C49 1.362(11) . ?
C52 H52A 0.9300 . ?
C27 C28 1.513(9) . ?
C27 H33 0.9700 . ?
C27 H34 0.9700 . ?
C28 C29 1.372(10) . ?
C29 C30 1.377(14) . ?
C29 H29 0.9300 . ?
C30 C31 1.362(15) . ?
C30 H30 0.9300 . ?
C31 C32 1.352(14) . ?
C31 H32 0.9300 . ?
C32 H31 0.9300 . ?
C33 C34 1.524(8) . ?
C33 H35 0.9700 . ?
C33 H36 0.9700 . ?
C34 H37 0.9700 . ?
C34 H38 0.9700 . ?
C35 C36 1.505(8) . ?
C35 H43 0.9700 . ?
C35 H44 0.9700 . ?
C36 C37 1.371(10) . ?
C37 C38 1.390(11) . ?
C37 H39 0.9300 . ?
C38 C39 1.357(13) . ?
C38 H40 0.9300 . ?
C39 C40 1.346(12) . ?
C39 H42 0.9300 . ?
C40 H41 0.9300 . ?
C41 C42 1.492(8) . ?
C41 H51 0.9700 . ?
C41 H45 0.9700 . ?
C42 C47 1.380(9) . ?
C47 C44 1.391(10) . ?
C47 H47 0.9300 . ?
C44 C45 1.369(12) . ?
C44 H46 0.9300 . ?
C45 C46 1.351(12) . ?
C45 H49 0.9300 . ?
C46 H48 0.9300 . ?
C48 C51 1.369(9) . ?
C49 C50 1.366(12) . ?
C49 H54 0.9300 . ?
C50 C51 1.375(11) . ?
C50 H55 0.9300 . ?
C51 H56 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Au1 P1 159.20(6) . . ?
P2 Au1 Au1 100.98(4) . 5_666 ?
P1 Au1 Au1 99.82(4) . 5_666 ?
P2 Au1 I1 99.54(4) . . ?
P1 Au1 I1 87.76(4) . . ?
Au1 Au1 I1 68.993(14) 5_666 . ?
P4 Au2 P3 159.27(5) . . ?
P4 Au2 Au2 100.66(4) . 7_566 ?
P3 Au2 Au2 99.78(4) . 7_566 ?
P4 Au2 I2 93.71(4) . . ?
P3 Au2 I2 92.19(4) . . ?
Au2 Au2 I2 63.734(12) 7_566 . ?
C9 P2 C2 104.0(3) . 5_666 ?
C9 P2 C3 105.7(3) . . ?
C2 P2 C3 103.8(3) 5_666 . ?
C9 P2 Au1 113.6(2) . . ?
C2 P2 Au1 119.9(2) 5_666 . ?
C3 P2 Au1 108.7(2) . . ?
C1 P1 C21 105.6(3) . . ?
C1 P1 C16 101.1(3) . . ?
C21 P1 C16 106.0(3) . . ?
C1 P1 Au1 118.70(19) . . ?
C21 P1 Au1 114.6(2) . . ?
C16 P1 Au1 109.2(2) . . ?
C33 P3 C43 105.3(3) . . ?
C33 P3 C27 100.2(3) . . ?
C43 P3 C27 106.5(3) . . ?
C33 P3 Au2 117.58(19) . . ?
C43 P3 Au2 113.82(18) . . ?
C27 P3 Au2 112.0(2) . . ?
C34 P4 C35 103.8(3) 7_566 . ?
C34 P4 C41 104.5(3) 7_566 . ?
C35 P4 C41 105.7(3) . . ?
C34 P4 Au2 118.29(18) 7_566 . ?
C35 P4 Au2 109.83(19) . . ?
C41 P4 Au2 113.5(2) . . ?
C32 N6 C28 117.8(7) . . ?
C36 N5 C40 117.5(7) . . ?
C42 N8 C46 117.6(7) . . ?
C4 N1 C8 117.0(7) . . ?
C2 C1 P1 115.8(4) . . ?
C2 C1 H2 108.3 . . ?
P1 C1 H2 108.3 . . ?
C2 C1 H1 108.3 . . ?
P1 C1 H1 108.3 . . ?
H2 C1 H1 107.4 . . ?
C1 C2 P2 116.0(4) . 5_666 ?
C1 C2 H22 108.3 . . ?
P2 C2 H22 108.3 5_666 . ?
C1 C2 H3 108.3 . . ?
P2 C2 H3 108.3 5_666 . ?
H22 C2 H3 107.4 . . ?
C23 N3 C22 117.3(6) . . ?
C4 C3 P2 116.7(4) . . ?
C4 C3 H4 108.1 . . ?
P2 C3 H4 108.1 . . ?
C4 C3 H9 108.1 . . ?
P2 C3 H9 108.1 . . ?
H4 C3 H9 107.3 . . ?
C10 N4 C12 116.3(6) . . ?
N1 C4 C5 122.4(6) . . ?
N1 C4 C3 116.4(6) . . ?
C5 C4 C3 121.2(6) . . ?
C4 C5 C6 119.1(8) . . ?
C4 C5 H8 120.4 . . ?
C6 C5 H8 120.4 . . ?
C7 C6 C5 119.4(8) . . ?
C7 C6 H7 120.3 . . ?
C5 C6 H7 120.3 . . ?
C6 C7 C8 118.3(7) . . ?
C6 C7 H6 120.9 . . ?
C8 C7 H6 120.9 . . ?
N1 C8 C7 123.8(7) . . ?
N1 C8 H5 118.1 . . ?
C7 C8 H5 118.1 . . ?
C10 C9 P2 112.9(4) . . ?
C10 C9 H10 109.0 . . ?
P2 C9 H10 109.0 . . ?
C10 C9 H11 109.0 . . ?
P2 C9 H11 109.0 . . ?
H10 C9 H11 107.8 . . ?
N4 C10 C15 122.8(6) . . ?
N4 C10 C9 115.1(6) . . ?
C15 C10 C9 122.1(6) . . ?
N4 C12 C13 124.3(7) . . ?
N4 C12 H15 117.9 . . ?
C13 C12 H15 117.9 . . ?
C14 C13 C12 117.8(7) . . ?
C14 C13 H12 121.1 . . ?
C12 C13 H12 121.1 . . ?
C15 C14 C13 119.7(7) . . ?
C15 C14 H13 120.1 . . ?
C13 C14 H13 120.1 . . ?
C14 C15 C10 119.1(7) . . ?
C14 C15 H14 120.5 . . ?
C10 C15 H14 120.5 . . ?
C17 C16 P1 114.8(4) . . ?
C17 C16 H21 108.6 . . ?
P1 C16 H21 108.6 . . ?
C17 C16 H17 108.6 . . ?
P1 C16 H17 108.6 . . ?
H21 C16 H17 107.6 . . ?
C17 C20 C11 117.8(11) . . ?
C17 C20 H20A 121.1 . . ?
C11 C20 H20A 121.1 . . ?
N2 C17 C20 122.7(8) . . ?
N2 C17 C16 116.4(7) . . ?
C20 C17 C16 120.8(8) . . ?
C17 N2 C18 116.8(9) . . ?
N2 C18 C19 124.2(13) . . ?
N2 C18 H18A 117.9 . . ?
C19 C18 H18A 117.9 . . ?
C11 C19 C18 118.9(12) . . ?
C11 C19 H19A 120.6 . . ?
C18 C19 H19A 120.6 . . ?
C19 C11 C20 119.3(12) . . ?
C19 C11 H11A 120.3 . . ?
C20 C11 H11A 120.3 . . ?
C22 C21 P1 116.0(4) . . ?
C22 C21 H27 108.3 . . ?
P1 C21 H27 108.3 . . ?
C22 C21 H28 108.3 . . ?
P1 C21 H28 108.3 . . ?
H27 C21 H28 107.4 . . ?
N3 C22 C26 122.3(7) . . ?
N3 C22 C21 116.3(6) . . ?
C26 C22 C21 121.5(7) . . ?
N3 C23 C24 123.5(8) . . ?
N3 C23 H26 118.3 . . ?
C24 C23 H26 118.3 . . ?
C25 C24 C23 118.8(8) . . ?
C25 C24 H23 120.6 . . ?
C23 C24 H23 120.6 . . ?
C24 C25 C26 119.5(9) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C22 C26 C25 118.6(8) . . ?
C22 C26 H24 120.7 . . ?
C25 C26 H24 120.7 . . ?
C48 C43 P3 116.4(4) . . ?
C48 C43 H52 108.2 . . ?
P3 C43 H52 108.2 . . ?
C48 C43 H53 108.2 . . ?
P3 C43 H53 108.2 . . ?
H52 C43 H53 107.3 . . ?
C52 N7 C48 117.1(6) . . ?
N7 C52 C49 123.3(7) . . ?
N7 C52 H52A 118.3 . . ?
C49 C52 H52A 118.3 . . ?
C28 C27 P3 114.2(4) . . ?
C28 C27 H33 108.7 . . ?
P3 C27 H33 108.7 . . ?
C28 C27 H34 108.7 . . ?
P3 C27 H34 108.7 . . ?
H33 C27 H34 107.6 . . ?
N6 C28 C29 121.9(7) . . ?
N6 C28 C27 116.7(6) . . ?
C29 C28 C27 121.3(7) . . ?
C28 C29 C30 119.1(10) . . ?
C28 C29 H29 120.5 . . ?
C30 C29 H29 120.5 . . ?
C31 C30 C29 118.7(10) . . ?
C31 C30 H30 120.6 . . ?
C29 C30 H30 120.6 . . ?
C30 C31 C32 118.8(9) . . ?
C30 C31 H32 120.6 . . ?
C32 C31 H32 120.6 . . ?
N6 C32 C31 123.6(10) . . ?
N6 C32 H31 118.2 . . ?
C31 C32 H31 118.2 . . ?
C34 C33 P3 116.3(4) . . ?
C34 C33 H35 108.2 . . ?
P3 C33 H35 108.2 . . ?
C34 C33 H36 108.2 . . ?
P3 C33 H36 108.2 . . ?
H35 C33 H36 107.4 . . ?
C33 C34 P4 115.6(4) . 7_566 ?
C33 C34 H37 108.4 . . ?
P4 C34 H37 108.4 7_566 . ?
C33 C34 H38 108.4 . . ?
P4 C34 H38 108.4 7_566 . ?
H37 C34 H38 107.4 . . ?
C36 C35 P4 117.0(4) . . ?
C36 C35 H43 108.1 . . ?
P4 C35 H43 108.1 . . ?
C36 C35 H44 108.1 . . ?
P4 C35 H44 108.1 . . ?
H43 C35 H44 107.3 . . ?
N5 C36 C37 122.0(6) . . ?
N5 C36 C35 116.1(6) . . ?
C37 C36 C35 121.9(7) . . ?
C36 C37 C38 118.9(8) . . ?
C36 C37 H39 120.5 . . ?
C38 C37 H39 120.5 . . ?
C39 C38 C37 118.6(8) . . ?
C39 C38 H40 120.7 . . ?
C37 C38 H40 120.7 . . ?
C40 C39 C38 118.5(8) . . ?
C40 C39 H42 120.7 . . ?
C38 C39 H42 120.7 . . ?
N5 C40 C39 124.4(9) . . ?
N5 C40 H41 117.8 . . ?
C39 C40 H41 117.8 . . ?
C42 C41 P4 110.7(4) . . ?
C42 C41 H51 109.5 . . ?
P4 C41 H51 109.5 . . ?
C42 C41 H45 109.5 . . ?
P4 C41 H45 109.5 . . ?
H51 C41 H45 108.1 . . ?
N8 C42 C47 122.0(6) . . ?
N8 C42 C41 116.3(6) . . ?
C47 C42 C41 121.7(6) . . ?
C42 C47 C44 119.0(7) . . ?
C42 C47 H47 120.5 . . ?
C44 C47 H47 120.5 . . ?
C45 C44 C47 118.5(8) . . ?
C45 C44 H46 120.7 . . ?
C47 C44 H46 120.7 . . ?
C46 C45 C44 118.0(8) . . ?
C46 C45 H49 121.0 . . ?
C44 C45 H49 121.0 . . ?
N8 C46 C45 124.8(9) . . ?
N8 C46 H48 117.6 . . ?
C45 C46 H48 117.6 . . ?
N7 C48 C51 122.8(6) . . ?
N7 C48 C43 116.2(5) . . ?
C51 C48 C43 120.9(6) . . ?
C50 C49 C52 118.9(7) . . ?
C50 C49 H54 120.6 . . ?
C52 C49 H54 120.6 . . ?
C49 C50 C51 118.8(8) . . ?
C49 C50 H55 120.6 . . ?
C51 C50 H55 120.6 . . ?
C48 C51 C50 119.0(7) . . ?
C48 C51 H56 120.5 . . ?
C50 C51 H56 120.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C21 P1 C1 C2 63.6(5) . . . . ?
C16 P1 C1 C2 173.9(4) . . . . ?
Au1 P1 C1 C2 -66.7(5) . . . . ?
P1 C1 C2 P2 90.6(5) . . . 5_666 ?
C9 P2 C3 C4 -61.8(6) . . . . ?
C2 P2 C3 C4 47.3(6) 5_666 . . . ?
Au1 P2 C3 C4 175.9(5) . . . . ?
C8 N1 C4 C5 0.0(10) . . . . ?
C8 N1 C4 C3 -179.4(6) . . . . ?
P2 C3 C4 N1 -84.7(7) . . . . ?
P2 C3 C4 C5 95.9(7) . . . . ?
N1 C4 C5 C6 0.2(12) . . . . ?
C3 C4 C5 C6 179.5(7) . . . . ?
C4 C5 C6 C7 -0.4(14) . . . . ?
C5 C6 C7 C8 0.3(14) . . . . ?
C4 N1 C8 C7 0.0(11) . . . . ?
C6 C7 C8 N1 -0.1(14) . . . . ?
C2 P2 C9 C10 179.7(4) 5_666 . . . ?
C3 P2 C9 C10 -71.3(5) . . . . ?
Au1 P2 C9 C10 47.8(5) . . . . ?
C12 N4 C10 C15 -2.0(10) . . . . ?
C12 N4 C10 C9 178.4(7) . . . . ?
P2 C9 C10 N4 88.6(6) . . . . ?
P2 C9 C10 C15 -91.1(7) . . . . ?
C10 N4 C12 C13 0.3(13) . . . . ?
N4 C12 C13 C14 1.1(15) . . . . ?
C12 C13 C14 C15 -0.7(14) . . . . ?
C13 C14 C15 C10 -0.9(13) . . . . ?
N4 C10 C15 C14 2.3(11) . . . . ?
C9 C10 C15 C14 -178.1(7) . . . . ?
C1 P1 C16 C17 169.8(5) . . . . ?
C21 P1 C16 C17 -80.2(6) . . . . ?
Au1 P1 C16 C17 43.8(6) . . . . ?
C11 C20 C17 N2 3.4(12) . . . . ?
C11 C20 C17 C16 -175.6(7) . . . . ?
P1 C16 C17 N2 76.2(7) . . . . ?
P1 C16 C17 C20 -104.8(7) . . . . ?
C20 C17 N2 C18 -0.7(12) . . . . ?
C16 C17 N2 C18 178.3(7) . . . . ?
C17 N2 C18 C19 -3.4(16) . . . . ?
N2 C18 C19 C11 5(2) . . . . ?
C18 C19 C11 C20 -1.5(19) . . . . ?
C17 C20 C11 C19 -2.1(16) . . . . ?
C1 P1 C21 C22 31.1(6) . . . . ?
C16 P1 C21 C22 -75.7(6) . . . . ?
Au1 P1 C21 C22 163.7(4) . . . . ?
C23 N3 C22 C26 0.5(10) . . . . ?
C23 N3 C22 C21 -178.4(6) . . . . ?
P1 C21 C22 N3 62.2(7) . . . . ?
P1 C21 C22 C26 -116.7(7) . . . . ?
C22 N3 C23 C24 -0.2(11) . . . . ?
N3 C23 C24 C25 -0.5(14) . . . . ?
C23 C24 C25 C26 1.0(16) . . . . ?
N3 C22 C26 C25 0.0(12) . . . . ?
C21 C22 C26 C25 178.9(8) . . . . ?
C24 C25 C26 C22 -0.7(15) . . . . ?
C33 P3 C43 C48 -31.6(5) . . . . ?
C27 P3 C43 C48 74.2(5) . . . . ?
Au2 P3 C43 C48 -161.9(4) . . . . ?
C48 N7 C52 C49 -0.6(11) . . . . ?
C33 P3 C27 C28 -171.0(5) . . . . ?
C43 P3 C27 C28 79.5(5) . . . . ?
Au2 P3 C27 C28 -45.6(5) . . . . ?
C32 N6 C28 C29 0.0(11) . . . . ?
C32 N6 C28 C27 -179.5(6) . . . . ?
P3 C27 C28 N6 -70.8(7) . . . . ?
P3 C27 C28 C29 109.6(7) . . . . ?
N6 C28 C29 C30 0.3(13) . . . . ?
C27 C28 C29 C30 179.8(8) . . . . ?
C28 C29 C30 C31 -1.8(16) . . . . ?
C29 C30 C31 C32 2.9(18) . . . . ?
C28 N6 C32 C31 1.2(13) . . . . ?
C30 C31 C32 N6 -2.7(16) . . . . ?
C43 P3 C33 C34 -62.5(5) . . . . ?
C27 P3 C33 C34 -172.9(4) . . . . ?
Au2 P3 C33 C34 65.5(5) . . . . ?
P3 C33 C34 P4 -95.1(5) . . . 7_566 ?
C34 P4 C35 C36 -41.8(6) 7_566 . . . ?
C41 P4 C35 C36 68.0(6) . . . . ?
Au2 P4 C35 C36 -169.2(4) . . . . ?
C40 N5 C36 C37 -1.4(11) . . . . ?
C40 N5 C36 C35 179.3(6) . . . . ?
P4 C35 C36 N5 87.0(7) . . . . ?
P4 C35 C36 C37 -92.3(7) . . . . ?
N5 C36 C37 C38 1.0(12) . . . . ?
C35 C36 C37 C38 -179.7(7) . . . . ?
C36 C37 C38 C39 -0.3(14) . . . . ?
C37 C38 C39 C40 0.0(15) . . . . ?
C36 N5 C40 C39 1.0(13) . . . . ?
C38 C39 C40 N5 -0.3(15) . . . . ?
C34 P4 C41 C42 174.7(5) 7_566 . . . ?
C35 P4 C41 C42 65.5(5) . . . . ?
Au2 P4 C41 C42 -55.0(5) . . . . ?
C46 N8 C42 C47 0.3(10) . . . . ?
C46 N8 C42 C41 180.0(6) . . . . ?
P4 C41 C42 N8 -95.4(6) . . . . ?
P4 C41 C42 C47 84.3(7) . . . . ?
N8 C42 C47 C44 0.9(10) . . . . ?
C41 C42 C47 C44 -178.8(6) . . . . ?
C42 C47 C44 C45 -1.1(11) . . . . ?
C47 C44 C45 C46 0.0(12) . . . . ?
C42 N8 C46 C45 -1.4(13) . . . . ?
C44 C45 C46 N8 1.2(14) . . . . ?
C52 N7 C48 C51 2.1(9) . . . . ?
C52 N7 C48 C43 179.1(6) . . . . ?
P3 C43 C48 N7 -62.7(6) . . . . ?
P3 C43 C48 C51 114.3(6) . . . . ?
N7 C52 C49 C50 -0.6(13) . . . . ?
C52 C49 C50 C51 0.3(14) . . . . ?
N7 C48 C51 C50 -2.5(11) . . . . ?
C43 C48 C51 C50 -179.3(7) . . . . ?
C49 C50 C51 C48 1.2(13) . . . . ?

_refine_diff_density_max         1.509
_refine_diff_density_min         -1.058
_refine_diff_density_rms         0.118



####################################################################### 
# 
# 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_anb-616
_database_code_depnum_ccdc_archive 'CCDC 2420292'
loop_
_audit_author_name
_audit_author_address
'Taisiya Sukhikh'
;NIIC SB RAS
Russia
;
_audit_update_record             
;
2025-01-29 deposited with the CCDC.	2025-06-16 downloaded from the CCDC.
;
_audit_creation_date             2023-09-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H68 Au2 Cu4 I2 N12 P4, 4(F6 P), 10[CH3CN]'
_chemical_formula_sum            'C80 H98 Au2 Cu4 F24 I2 N22 P8'
_chemical_formula_weight         2973.45
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.4955(18)
_cell_length_b                   18.3196(16)
_cell_length_c                   19.844(2)
_cell_angle_alpha                63.691(3)
_cell_angle_beta                 67.863(3)
_cell_angle_gamma                64.889(2)
_cell_volume                     5020.9(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5559
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      20.52
_cell_measurement_theta_min      2.34
_shelx_estimated_absorpt_T_max   0.803
_shelx_estimated_absorpt_T_min   0.609
_exptl_absorpt_coefficient_mu    4.585
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.5536
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1004 before and 0.0610 after correction.
The Ratio of minimum to maximum transmission is 0.7430.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2896
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0942
_diffrn_reflns_av_unetI/netI     0.1063
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            51894
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        24.495
_diffrn_reflns_theta_max         24.495
_diffrn_reflns_theta_min         1.542
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Incoatec HELIOS multilayer mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9726
_reflns_number_total             16557
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.897
_refine_diff_density_min         -1.426
_refine_diff_density_rms         0.177
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1013
_refine_ls_number_reflns         16557
_refine_ls_number_restraints     333
_refine_ls_R_factor_all          0.1153
_refine_ls_R_factor_gt           0.0660
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1685
_refine_ls_wR_factor_ref         0.1957
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid body (RIGU) restrains
 P8, F5, F7, F13, F15, F19, F21
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P5, F2, F9, F11, F17, F23, F24
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P6, F3, F8, F14, F16, F18, F20
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P7, F6, F10, F4, F22, F12, F1
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N9, C28, C30, C3, C45, C23
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N7, C25, C35, C15, C47, C19
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N5, C55, C7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C8(H8A,H8B), C16(H16A,H16B), C20(H20A,H20B), C24(H24A,H24B),
 C26(H26A,H26B), C31(H31A,H31B), C38(H38A,H38B), C50(H50A,H50B), C52(H52A,H52B),
  C54(H54A,H54B), C58(H58A,H58B)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C9(H9), C11(H11), C12(H12), C13(H13),
 C14(H14), C17(H17), C18(H18), C19(H19), C21(H21), C23(H23), C25(H25), C27(H27),
  C29(H29), C30(H30), C33(H33), C34(H34), C35(H35), C37(H37), C41(H41),
 C42(H42), C43(H43), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49), C51(H51),
  C60(H60)
3.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C22(H22A,H22B,H22C), C53(H53A,H53B,H53C), C59(H59A,H59B,H59C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.24058(3) 0.60368(3) 0.41216(3) 0.04092(17) Uani 1 1 d . . . . .
Au2 Au 0.23914(3) 0.44842(3) 0.56583(3) 0.04195(17) Uani 1 1 d . . . . .
I1 I 0.35774(6) 0.58261(6) 0.53900(6) 0.0524(3) Uani 1 1 d . . . . .
I2 I 0.13465(6) 0.45048(6) 0.45368(6) 0.0532(3) Uani 1 1 d . . . . .
Cu1 Cu 0.29215(12) 0.71388(11) 0.43463(11) 0.0524(5) Uani 1 1 d . . . . .
Cu2 Cu 0.19033(13) 0.55190(11) 0.32529(11) 0.0587(5) Uani 1 1 d . . . . .
Cu3 Cu 0.05699(15) 0.41091(13) 0.87476(11) 0.0731(6) Uani 1 1 d . . . . .
Cu4 Cu 0.48617(14) 0.10571(11) 0.63546(13) 0.0704(6) Uani 1 1 d . . . . .
P1 P 0.1001(2) 0.6903(2) 0.4438(2) 0.0445(9) Uani 1 1 d . . . . .
P2 P 0.1302(2) 0.5214(2) 0.6459(2) 0.0424(9) Uani 1 1 d . . . . .
P3 P 0.3801(2) 0.5541(2) 0.3430(2) 0.0437(9) Uani 1 1 d . . . . .
P4 P 0.3586(2) 0.3457(2) 0.5227(2) 0.0419(9) Uani 1 1 d . . . . .
N1 N 0.4293(8) 0.1941(7) 0.6905(7) 0.055(3) Uani 1 1 d . . . . .
N2 N 0.0695(9) 0.5293(8) 0.8364(7) 0.071(4) Uani 1 1 d . . . . .
N3 N 0.2946(10) 0.4775(8) 0.2704(7) 0.062(4) Uani 1 1 d . . . . .
N4 N 0.4710(8) 0.1402(7) 0.5245(8) 0.064(4) Uani 1 1 d . . . . .
N5 N -0.0722(12) 0.4339(11) 0.9123(10) 0.098(5) Uani 1 1 d . U . . .
N6 N 0.1876(8) 0.7943(7) 0.4860(7) 0.056(3) Uani 1 1 d . . . . .
N7 N 0.0947(8) 0.3439(8) 0.8011(7) 0.064(3) Uani 1 1 d . U . . .
N8 N 0.3436(7) 0.7598(7) 0.3209(7) 0.050(3) Uani 1 1 d . . . . .
N9 N 0.1398(9) 0.6717(8) 0.2681(8) 0.068(3) Uani 1 1 d . U . . .
N10 N 0.4141(11) 0.0276(9) 0.7070(10) 0.080(5) Uani 1 1 d . . . . .
N11 N 0.1342(12) 0.3344(10) 0.9518(9) 0.092(5) Uani 1 1 d . . . . .
N12 N 0.6134(9) 0.0534(8) 0.6253(8) 0.076(4) Uani 1 1 d . . . . .
C1 C 0.4170(8) 0.2790(8) 0.6559(8) 0.042(3) Uani 1 1 d . . . . .
C2 C 0.3482(10) 0.3035(10) 0.7767(9) 0.061(4) Uani 1 1 d . . . . .
H2 H 0.3182 0.3413 0.8057 0.073 Uiso 1 1 calc R U . . .
C3 C 0.0923(15) 0.8477(14) 0.1790(12) 0.105(6) Uani 1 1 d . U . . .
H3 H 0.0765 0.9071 0.1499 0.125 Uiso 1 1 calc R U . . .
C4 C 0.0788(9) 0.6350(7) 0.6061(7) 0.042(3) Uani 1 1 d . . . . .
H4A H 0.0340 0.6555 0.6479 0.051 Uiso 1 1 calc R U . . .
H4B H 0.1227 0.6649 0.5856 0.051 Uiso 1 1 calc R U . . .
C5 C 0.4328(12) 0.7491(10) 0.2011(10) 0.078(5) Uani 1 1 d . . . . .
H5 H 0.4779 0.7158 0.1714 0.094 Uiso 1 1 calc R U . . .
C6 C 0.0396(11) 0.8702(9) 0.5205(9) 0.067(5) Uani 1 1 d . . . . .
H6 H -0.0179 0.8885 0.5149 0.080 Uiso 1 1 calc R U . . .
C7 C -0.2305(17) 0.486(2) 0.9244(19) 0.187(14) Uani 1 1 d . U . . .
H7A H -0.2425 0.4919 0.8774 0.280 Uiso 1 1 calc R U . . .
H7B H -0.2562 0.5410 0.9326 0.280 Uiso 1 1 calc R U . . .
H7C H -0.2558 0.4435 0.9688 0.280 Uiso 1 1 calc R U . . .
C8 C 0.0356(9) 0.6586(9) 0.5401(8) 0.050(4) Uani 1 1 d . . . . .
H8A H -0.0193 0.7059 0.5447 0.060 Uiso 1 1 calc R U . . .
H8B H 0.0207 0.6086 0.5480 0.060 Uiso 1 1 calc R U . . .
C9 C 0.5238(14) 0.0888(12) 0.4164(13) 0.099(7) Uani 1 1 d . . . . .
H9 H 0.5685 0.0543 0.3876 0.119 Uiso 1 1 calc R U . . .
C10 C 0.4099(9) 0.7112(8) 0.2791(8) 0.048(4) Uani 1 1 d . . . . .
C11 C 0.3648(11) 0.2145(10) 0.8128(9) 0.069(5) Uani 1 1 d . . . . .
H11 H 0.3494 0.1900 0.8675 0.082 Uiso 1 1 calc R U . . .
C12 C 0.3800(11) 0.1935(10) 0.4369(10) 0.069(5) Uani 1 1 d . . . . .
H12 H 0.3279 0.2294 0.4200 0.083 Uiso 1 1 calc R U . . .
C13 C 0.4330(14) 0.3540(12) 0.2178(12) 0.088(6) Uani 1 1 d . . . . .
H13 H 0.4806 0.3120 0.1989 0.106 Uiso 1 1 calc R U . . .
C14 C 0.4488(15) 0.1392(13) 0.3959(12) 0.093(7) Uani 1 1 d . . . . .
H14 H 0.4403 0.1391 0.3514 0.111 Uiso 1 1 calc R U . . .
C15 C 0.0798(8) 0.3781(8) 0.7291(8) 0.042(3) Uani 1 1 d . U . . .
C16 C 0.4101(9) 0.3736(8) 0.4205(8) 0.046(3) Uani 1 1 d . . . . .
H16A H 0.4566 0.3219 0.4113 0.056 Uiso 1 1 calc R U . . .
H16B H 0.3665 0.3896 0.3918 0.056 Uiso 1 1 calc R U . . .
C17 C 0.3927(14) 0.8347(12) 0.1631(11) 0.098(7) Uani 1 1 d . . . . .
H17 H 0.4092 0.8596 0.1086 0.117 Uiso 1 1 calc R U . . .
C18 C 0.5325(12) 0.0902(10) 0.4848(12) 0.088(6) Uani 1 1 d . . . . .
H18 H 0.5841 0.0542 0.5026 0.106 Uiso 1 1 calc R U . . .
C19 C 0.1000(9) 0.3295(9) 0.6877(9) 0.055(4) Uani 1 1 d . U . . .
H19 H 0.0884 0.3556 0.6377 0.066 Uiso 1 1 calc R U . . .
C20 C 0.4496(9) 0.4465(7) 0.3864(8) 0.048(4) Uani 1 1 d . . . . .
H20A H 0.5030 0.4332 0.3465 0.058 Uiso 1 1 calc R U . . .
H20B H 0.4670 0.4474 0.4280 0.058 Uiso 1 1 calc R U . . .
C21 C 0.0291(13) 0.5782(12) 0.8843(10) 0.087(6) Uani 1 1 d . . . . .
H21 H -0.0039 0.5533 0.9336 0.105 Uiso 1 1 calc R U . . .
C22 C 0.7785(11) -0.0205(12) 0.6054(12) 0.091(6) Uani 1 1 d . . . . .
H22A H 0.8088 0.0225 0.5729 0.136 Uiso 1 1 calc R U . . .
H22B H 0.7942 -0.0611 0.5792 0.136 Uiso 1 1 calc R U . . .
H22C H 0.7955 -0.0513 0.6550 0.136 Uiso 1 1 calc R U . . .
C23 C 0.1780(12) 0.7001(13) 0.1904(10) 0.083(5) Uani 1 1 d . U . . .
H23 H 0.2207 0.6602 0.1660 0.100 Uiso 1 1 calc R U . . .
C24 C 0.1779(9) 0.5106(9) 0.7188(7) 0.048(4) Uani 1 1 d . . . . .
H24A H 0.1933 0.4496 0.7518 0.057 Uiso 1 1 calc R U . . .
H24B H 0.2328 0.5250 0.6917 0.057 Uiso 1 1 calc R U . . .
C25 C 0.1574(11) 0.2072(11) 0.7836(10) 0.071(4) Uani 1 1 d . U . . .
H25 H 0.1880 0.1479 0.8022 0.086 Uiso 1 1 calc R U . . .
C26 C 0.4466(9) 0.3093(8) 0.5688(8) 0.048(4) Uani 1 1 d . . . . .
H26A H 0.4937 0.2619 0.5525 0.058 Uiso 1 1 calc R U . . .
H26B H 0.4703 0.3568 0.5515 0.058 Uiso 1 1 calc R U . . .
C27 C 0.4467(13) 0.4227(13) 0.2193(9) 0.085(6) Uani 1 1 d . . . . .
H27 H 0.5036 0.4269 0.2036 0.102 Uiso 1 1 calc R U . . .
C28 C 0.0754(11) 0.7328(10) 0.3011(10) 0.065(4) Uani 1 1 d . U . . .
C29 C 0.2039(13) 0.8122(10) 0.5382(11) 0.079(5) Uani 1 1 d . . . . .
H29 H 0.2613 0.7900 0.5453 0.094 Uiso 1 1 calc R U . . .
C30 C 0.0527(13) 0.8191(11) 0.2562(11) 0.089(5) Uani 1 1 d . U . . .
H30 H 0.0087 0.8595 0.2794 0.106 Uiso 1 1 calc R U . . .
C31 C 0.4460(8) 0.6200(7) 0.3224(8) 0.045(3) Uani 1 1 d . . . . .
H31A H 0.4524 0.6151 0.3719 0.054 Uiso 1 1 calc R U . . .
H31B H 0.5047 0.5971 0.2923 0.054 Uiso 1 1 calc R U . . .
C32 C 0.6842(13) 0.0223(10) 0.6189(12) 0.080(6) Uani 1 1 d . . . . .
C33 C 0.1408(15) 0.8603(11) 0.5801(11) 0.085(6) Uani 1 1 d . . . . .
H33 H 0.1541 0.8730 0.6151 0.102 Uiso 1 1 calc R U . . .
C34 C 0.4013(10) 0.1669(10) 0.7701(10) 0.065(5) Uani 1 1 d . . . . .
H34 H 0.4098 0.1072 0.7959 0.078 Uiso 1 1 calc R U . . .
C35 C 0.1378(10) 0.2411(9) 0.7159(10) 0.060(4) Uani 1 1 d . U . . .
H35 H 0.1492 0.2062 0.6871 0.072 Uiso 1 1 calc R U . . .
C36 C 0.3936(10) 0.1909(9) 0.5023(10) 0.056(4) Uani 1 1 d . . . . .
C37 C 0.2866(13) 0.4085(12) 0.2700(11) 0.083(6) Uani 1 1 d . . . . .
H37 H 0.2302 0.4022 0.2903 0.100 Uiso 1 1 calc R U . . .
C38 C 0.3877(10) 0.5587(9) 0.2470(8) 0.056(4) Uani 1 1 d . . . . .
H38A H 0.3437 0.6116 0.2241 0.067 Uiso 1 1 calc R U . . .
H38B H 0.4455 0.5633 0.2142 0.067 Uiso 1 1 calc R U . . .
C39 C 0.3754(14) 0.4852(11) 0.2443(9) 0.070(5) Uani 1 1 d . . . . .
C40 C 0.3668(14) -0.0080(12) 0.7431(13) 0.084(6) Uani 1 1 d . . . . .
C41 C 0.3297(14) 0.8808(11) 0.2064(12) 0.099(7) Uani 1 1 d . . . . .
H41 H 0.3018 0.9395 0.1816 0.119 Uiso 1 1 calc R U . . .
C42 C 0.0539(14) 0.8921(11) 0.5713(11) 0.084(6) Uani 1 1 d . . . . .
H42 H 0.0081 0.9268 0.5994 0.101 Uiso 1 1 calc R U . . .
C43 C 0.3507(13) 0.3467(12) 0.2435(12) 0.085(6) Uani 1 1 d . . . . .
H43 H 0.3397 0.3006 0.2427 0.102 Uiso 1 1 calc R U . . .
C44 C 0.3769(9) 0.3333(8) 0.6983(8) 0.047(3) Uani 1 1 d . . . . .
H44 H 0.3691 0.3929 0.6724 0.057 Uiso 1 1 calc R U . . .
C45 C 0.1528(16) 0.7918(14) 0.1453(13) 0.107(6) Uani 1 1 d . U . . .
H45 H 0.1798 0.8112 0.0919 0.128 Uiso 1 1 calc R U . . .
C46 C 0.1059(10) 0.8224(8) 0.4771(10) 0.056(4) Uani 1 1 d . . . . .
C47 C 0.1334(12) 0.2579(10) 0.8277(10) 0.079(5) Uani 1 1 d . U . . .
H47 H 0.1443 0.2318 0.8779 0.094 Uiso 1 1 calc R U . . .
C48 C 0.3044(10) 0.8463(8) 0.2847(10) 0.063(4) Uani 1 1 d . . . . .
H48 H 0.2608 0.8808 0.3141 0.076 Uiso 1 1 calc R U . . .
C49 C 0.0836(15) 0.6864(13) 0.8053(13) 0.105(7) Uani 1 1 d . . . . .
H49 H 0.0891 0.7404 0.7937 0.126 Uiso 1 1 calc R U . . .
C50 C 0.0363(9) 0.7008(9) 0.3847(8) 0.054(4) Uani 1 1 d . . . . .
H50A H 0.0303 0.6443 0.3980 0.065 Uiso 1 1 calc R U . . .
H50B H -0.0226 0.7407 0.3964 0.065 Uiso 1 1 calc R U . . .
C51 C 0.0308(15) 0.6562(12) 0.8697(12) 0.115(9) Uani 1 1 d . . . . .
H51 H -0.0042 0.6876 0.9039 0.138 Uiso 1 1 calc R U . . .
C52 C 0.3287(9) 0.2523(8) 0.5452(8) 0.047(4) Uani 1 1 d . . . . .
H52A H 0.3214 0.2206 0.6015 0.056 Uiso 1 1 calc R U . . .
H52B H 0.2718 0.2720 0.5329 0.056 Uiso 1 1 calc R U . . .
C53 C 0.3027(17) -0.0552(13) 0.7946(13) 0.130(9) Uani 1 1 d . . . . .
H53A H 0.2500 -0.0278 0.7748 0.195 Uiso 1 1 calc R U . . .
H53B H 0.2880 -0.0540 0.8470 0.195 Uiso 1 1 calc R U . . .
H53C H 0.3278 -0.1147 0.7958 0.195 Uiso 1 1 calc R U . . .
C54 C 0.0891(10) 0.8042(7) 0.4197(9) 0.057(4) Uani 1 1 d . . . . .
H54A H 0.1298 0.8222 0.3695 0.068 Uiso 1 1 calc R U . . .
H54B H 0.0296 0.8398 0.4129 0.068 Uiso 1 1 calc R U . . .
C55 C -0.1413(16) 0.4582(15) 0.9165(12) 0.097(7) Uani 1 1 d . U . . .
C56 C 0.1257(11) 0.5623(10) 0.7705(9) 0.063(4) Uani 1 1 d . . . . .
C57 C 0.1829(16) 0.2990(15) 0.9866(12) 0.099(7) Uani 1 1 d . . . . .
C58 C 0.0412(8) 0.4725(8) 0.6995(8) 0.048(3) Uani 1 1 d . . . . .
H58A H 0.0047 0.4938 0.7431 0.057 Uiso 1 1 calc R U . . .
H58B H 0.0042 0.4883 0.6648 0.057 Uiso 1 1 calc R U . . .
C59 C 0.2515(16) 0.2525(15) 1.0304(14) 0.139(10) Uani 1 1 d . . . . .
H59A H 0.3058 0.2639 0.9965 0.208 Uiso 1 1 calc R U . . .
H59B H 0.2601 0.1909 1.0493 0.208 Uiso 1 1 calc R U . . .
H59C H 0.2341 0.2718 1.0743 0.208 Uiso 1 1 calc R U . . .
C60 C 0.1321(12) 0.6426(10) 0.7531(10) 0.081(6) Uani 1 1 d . . . . .
H60 H 0.1691 0.6668 0.7064 0.097 Uiso 1 1 calc R U . . .
P5 P 0.2435(7) 0.0159(5) 0.9926(5) 0.161(3) Uani 1 1 d . U . . .
F2 F 0.1771(15) 0.0249(15) 0.9512(13) 0.234(7) Uani 1 1 d . U . . .
F9 F 0.2826(16) -0.0807(13) 0.9990(12) 0.232(7) Uani 1 1 d . U . . .
F11 F 0.1802(16) -0.0056(12) 1.0764(11) 0.219(6) Uani 1 1 d . U . . .
F17 F 0.2068(15) 0.1143(12) 0.9817(11) 0.212(6) Uani 1 1 d . U . . .
F23 F 0.3131(15) -0.0012(14) 1.0305(12) 0.241(7) Uani 1 1 d . U . . .
F24 F 0.3015(14) 0.0381(12) 0.9090(10) 0.198(6) Uani 1 1 d . U . . .
P6 P 0.8351(5) -0.2679(4) 0.7367(4) 0.1095(19) Uani 1 1 d . U . . .
F3 F 0.9012(12) -0.3033(11) 0.7876(12) 0.190(5) Uani 1 1 d . U . . .
F8 F 0.7648(9) -0.2272(9) 0.6877(8) 0.135(4) Uani 1 1 d . U . . .
F14 F 0.9000(9) -0.2214(8) 0.6668(9) 0.145(4) Uani 1 1 d . U . . .
F16 F 0.8795(9) -0.3521(9) 0.7151(10) 0.146(4) Uani 1 1 d . U . . .
F18 F 0.7740(11) -0.3147(10) 0.8104(10) 0.164(5) Uani 1 1 d . U . . .
F20 F 0.7889(11) -0.1870(9) 0.7666(9) 0.162(5) Uani 1 1 d . U . . .
P7 P 0.8006(3) -0.0637(3) 0.4047(4) 0.0907(17) Uani 1 1 d . U . . .
F1 F 0.7397(8) -0.0652(8) 0.4895(8) 0.125(4) Uani 1 1 d . U . . .
F4 F 0.7277(8) -0.0731(8) 0.3848(8) 0.121(4) Uani 1 1 d . U . . .
F6 F 0.7649(9) 0.0343(8) 0.3714(9) 0.139(4) Uani 1 1 d . U . . .
F10 F 0.8754(8) -0.0582(8) 0.4242(10) 0.138(4) Uani 1 1 d . U . . .
F12 F 0.8367(9) -0.1656(8) 0.4364(9) 0.141(4) Uani 1 1 d . U . . .
F22 F 0.8612(9) -0.0641(9) 0.3215(9) 0.140(4) Uani 1 1 d . U . . .
P8 P 0.3334(6) 0.4797(8) 0.8717(6) 0.171(4) Uani 1 1 d . U . . .
F5 F 0.2568(14) 0.5733(16) 0.8751(14) 0.239(7) Uani 1 1 d . U . . .
F7 F 0.4059(12) 0.3934(16) 0.8679(14) 0.227(7) Uani 1 1 d . U . . .
F13 F 0.3840(13) 0.5006(15) 0.9019(12) 0.217(6) Uani 1 1 d . U . . .
F15 F 0.2742(12) 0.4638(15) 0.8436(14) 0.228(7) Uani 1 1 d . U . . .
F19 F 0.2886(14) 0.4285(16) 0.9568(14) 0.236(7) Uani 1 1 d . U . . .
F21 F 0.3762(16) 0.517(2) 0.7825(14) 0.266(8) Uani 1 1 d . 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 Au2 3.1152(8) . ?
Au1 Cu1 2.7812(18) . ?
Au1 Cu2 2.8184(18) . ?
Au1 P1 2.316(3) . ?
Au1 P3 2.316(4) . ?
Au2 P2 2.320(3) . ?
Au2 P4 2.320(3) . ?
I1 Cu1 2.534(2) . ?
I2 Cu2 2.522(2) . ?
Cu1 N6 2.048(12) . ?
Cu1 N8 2.010(12) . ?
Cu2 N3 2.020(14) . ?
Cu2 N9 1.947(13) . ?
Cu3 N2 2.037(15) . ?
Cu3 N5 2.010(18) . ?
Cu3 N7 2.062(13) . ?
Cu3 N11 2.043(17) . ?
Cu4 N1 2.046(11) . ?
Cu4 N4 2.093(14) . ?
Cu4 N10 2.009(18) . ?
Cu4 N12 1.984(14) . ?
P1 C8 1.791(14) . ?
P1 C50 1.806(14) . ?
P1 C54 1.862(13) . ?
P2 C4 1.804(11) . ?
P2 C24 1.829(13) . ?
P2 C58 1.857(14) . ?
P3 C20 1.831(12) . ?
P3 C31 1.828(14) . ?
P3 C38 1.825(14) . ?
P4 C16 1.811(14) . ?
P4 C26 1.818(13) . ?
P4 C52 1.819(13) . ?
N1 C1 1.348(16) . ?
N1 C34 1.382(19) . ?
N2 C21 1.384(19) . ?
N2 C56 1.37(2) . ?
N3 C37 1.33(2) . ?
N3 C39 1.36(2) . ?
N4 C18 1.335(19) . ?
N4 C36 1.381(18) . ?
N5 C55 1.08(2) . ?
N6 C29 1.37(2) . ?
N6 C46 1.351(18) . ?
N7 C15 1.360(17) . ?
N7 C47 1.358(18) . ?
N8 C10 1.371(17) . ?
N8 C48 1.392(17) . ?
N9 C23 1.38(2) . ?
N9 C28 1.40(2) . ?
N10 C40 1.10(2) . ?
N11 C57 1.10(2) . ?
N12 C32 1.11(2) . ?
C1 C26 1.511(18) . ?
C1 C44 1.376(18) . ?
C2 H2 0.9500 . ?
C2 C11 1.40(2) . ?
C2 C44 1.365(19) . ?
C3 H3 0.9500 . ?
C3 C30 1.38(3) . ?
C3 C45 1.33(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C8 1.562(17) . ?
C5 H5 0.9500 . ?
C5 C10 1.36(2) . ?
C5 C17 1.39(2) . ?
C6 H6 0.9500 . ?
C6 C42 1.37(2) . ?
C6 C46 1.381(19) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C7 C55 1.39(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9 0.9500 . ?
C9 C14 1.34(3) . ?
C9 C18 1.43(3) . ?
C10 C31 1.474(17) . ?
C11 H11 0.9500 . ?
C11 C34 1.29(2) . ?
C12 H12 0.9500 . ?
C12 C14 1.44(2) . ?
C12 C36 1.38(2) . ?
C13 H13 0.9500 . ?
C13 C27 1.39(2) . ?
C13 C43 1.38(2) . ?
C14 H14 0.9500 . ?
C15 C19 1.325(18) . ?
C15 C58 1.483(17) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C20 1.533(18) . ?
C17 H17 0.9500 . ?
C17 C41 1.34(2) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C19 C35 1.394(19) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21 0.9500 . ?
C21 C51 1.34(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22 C32 1.47(2) . ?
C23 H23 0.9500 . ?
C23 C45 1.47(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C56 1.483(19) . ?
C25 H25 0.9500 . ?
C25 C35 1.32(2) . ?
C25 C47 1.39(2) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27 0.9500 . ?
C27 C39 1.39(2) . ?
C28 C30 1.39(2) . ?
C28 C50 1.48(2) . ?
C29 H29 0.9500 . ?
C29 C33 1.35(2) . ?
C30 H30 0.9500 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C33 H33 0.9500 . ?
C33 C42 1.43(3) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C52 1.522(18) . ?
C37 H37 0.9500 . ?
C37 C43 1.35(2) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.48(2) . ?
C40 C53 1.49(3) . ?
C41 H41 0.9500 . ?
C41 C48 1.36(2) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 C54 1.47(2) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C49 C51 1.31(3) . ?
C49 C60 1.39(2) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 H51 0.9500 . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C56 C60 1.40(2) . ?
C57 C59 1.48(3) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60 0.9500 . ?
P5 F2 1.58(2) . ?
P5 F9 1.57(2) . ?
P5 F11 1.60(2) . ?
P5 F17 1.58(2) . ?
P5 F23 1.52(2) . ?
P5 F24 1.56(2) . ?
P6 F3 1.562(17) . ?
P6 F8 1.580(15) . ?
P6 F14 1.589(15) . ?
P6 F16 1.576(14) . ?
P6 F18 1.583(17) . ?
P6 F20 1.614(14) . ?
P7 F1 1.614(14) . ?
P7 F4 1.562(12) . ?
P7 F6 1.535(13) . ?
P7 F10 1.549(13) . ?
P7 F12 1.593(13) . ?
P7 F22 1.592(15) . ?
P8 F5 1.68(2) . ?
P8 F7 1.56(2) . ?
P8 F13 1.476(18) . ?
P8 F15 1.517(19) . ?
P8 F19 1.60(2) . ?
P8 F21 1.59(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cu1 Au1 Au2 105.51(4) . . ?
Cu1 Au1 Cu2 154.19(6) . . ?
Cu2 Au1 Au2 100.29(4) . . ?
P1 Au1 Au2 98.49(9) . . ?
P1 Au1 Cu1 86.06(10) . . ?
P1 Au1 Cu2 91.02(10) . . ?
P1 Au1 P3 161.30(13) . . ?
P3 Au1 Au2 100.19(9) . . ?
P3 Au1 Cu1 89.69(10) . . ?
P3 Au1 Cu2 84.92(10) . . ?
P2 Au2 Au1 97.76(9) . . ?
P4 Au2 Au1 99.02(9) . . ?
P4 Au2 P2 161.93(13) . . ?
I1 Cu1 Au1 85.45(6) . . ?
N6 Cu1 Au1 110.8(4) . . ?
N6 Cu1 I1 108.8(3) . . ?
N8 Cu1 Au1 91.3(3) . . ?
N8 Cu1 I1 129.9(3) . . ?
N8 Cu1 N6 118.9(5) . . ?
I2 Cu2 Au1 85.56(6) . . ?
N3 Cu2 Au1 110.7(4) . . ?
N3 Cu2 I2 105.8(4) . . ?
N9 Cu2 Au1 89.3(4) . . ?
N9 Cu2 I2 132.8(4) . . ?
N9 Cu2 N3 119.7(5) . . ?
N2 Cu3 N7 121.8(5) . . ?
N2 Cu3 N11 105.5(6) . . ?
N5 Cu3 N2 102.8(6) . . ?
N5 Cu3 N7 104.7(7) . . ?
N5 Cu3 N11 119.4(7) . . ?
N11 Cu3 N7 103.8(6) . . ?
N1 Cu4 N4 119.8(5) . . ?
N10 Cu4 N1 97.0(6) . . ?
N10 Cu4 N4 106.2(6) . . ?
N12 Cu4 N1 114.3(5) . . ?
N12 Cu4 N4 103.9(6) . . ?
N12 Cu4 N10 116.1(6) . . ?
C8 P1 Au1 119.5(5) . . ?
C8 P1 C50 103.4(7) . . ?
C8 P1 C54 105.7(7) . . ?
C50 P1 Au1 109.7(5) . . ?
C50 P1 C54 101.4(6) . . ?
C54 P1 Au1 114.9(5) . . ?
C4 P2 Au2 119.7(5) . . ?
C4 P2 C24 104.5(6) . . ?
C4 P2 C58 106.3(6) . . ?
C24 P2 Au2 107.2(4) . . ?
C24 P2 C58 106.3(7) . . ?
C58 P2 Au2 111.8(5) . . ?
C20 P3 Au1 119.4(5) . . ?
C31 P3 Au1 111.4(4) . . ?
C31 P3 C20 101.5(6) . . ?
C38 P3 Au1 115.1(5) . . ?
C38 P3 C20 104.7(6) . . ?
C38 P3 C31 102.7(7) . . ?
C16 P4 Au2 118.4(4) . . ?
C16 P4 C26 103.9(7) . . ?
C16 P4 C52 104.6(6) . . ?
C26 P4 Au2 112.0(4) . . ?
C26 P4 C52 107.1(6) . . ?
C52 P4 Au2 110.0(4) . . ?
C1 N1 Cu4 125.6(10) . . ?
C1 N1 C34 115.2(12) . . ?
C34 N1 Cu4 119.2(10) . . ?
C21 N2 Cu3 119.5(12) . . ?
C56 N2 Cu3 125.8(10) . . ?
C56 N2 C21 113.9(15) . . ?
C37 N3 Cu2 117.5(13) . . ?
C37 N3 C39 117.2(15) . . ?
C39 N3 Cu2 124.6(10) . . ?
C18 N4 Cu4 113.6(12) . . ?
C18 N4 C36 120.3(15) . . ?
C36 N4 Cu4 123.3(10) . . ?
C55 N5 Cu3 164(2) . . ?
C29 N6 Cu1 114.5(11) . . ?
C46 N6 Cu1 125.1(10) . . ?
C46 N6 C29 120.1(14) . . ?
C15 N7 Cu3 125.2(9) . . ?
C47 N7 Cu3 117.8(11) . . ?
C47 N7 C15 116.8(13) . . ?
C10 N8 Cu1 124.4(9) . . ?
C10 N8 C48 120.5(13) . . ?
C48 N8 Cu1 115.0(10) . . ?
C23 N9 Cu2 116.4(12) . . ?
C23 N9 C28 117.9(14) . . ?
C28 N9 Cu2 125.2(11) . . ?
C40 N10 Cu4 172.1(18) . . ?
C57 N11 Cu3 171(2) . . ?
C32 N12 Cu4 177.7(16) . . ?
N1 C1 C26 115.5(11) . . ?
N1 C1 C44 121.1(12) . . ?
C44 C1 C26 123.4(11) . . ?
C11 C2 H2 121.4 . . ?
C44 C2 H2 121.4 . . ?
C44 C2 C11 117.3(15) . . ?
C30 C3 H3 120.1 . . ?
C45 C3 H3 120.1 . . ?
C45 C3 C30 120(2) . . ?
P2 C4 H4A 109.0 . . ?
P2 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
C8 C4 P2 112.8(9) . . ?
C8 C4 H4A 109.0 . . ?
C8 C4 H4B 109.0 . . ?
C10 C5 H5 118.7 . . ?
C10 C5 C17 122.6(17) . . ?
C17 C5 H5 118.7 . . ?
C42 C6 H6 118.8 . . ?
C42 C6 C46 122.3(17) . . ?
C46 C6 H6 118.8 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C55 C7 H7A 109.5 . . ?
C55 C7 H7B 109.5 . . ?
C55 C7 H7C 109.5 . . ?
P1 C8 H8A 108.4 . . ?
P1 C8 H8B 108.4 . . ?
C4 C8 P1 115.6(10) . . ?
C4 C8 H8A 108.4 . . ?
C4 C8 H8B 108.4 . . ?
H8A C8 H8B 107.4 . . ?
C14 C9 H9 122.2 . . ?
C14 C9 C18 115.6(16) . . ?
C18 C9 H9 122.2 . . ?
N8 C10 C31 116.5(12) . . ?
C5 C10 N8 117.9(13) . . ?
C5 C10 C31 125.4(13) . . ?
C2 C11 H11 120.7 . . ?
C34 C11 C2 118.6(16) . . ?
C34 C11 H11 120.7 . . ?
C14 C12 H12 121.7 . . ?
C36 C12 H12 121.7 . . ?
C36 C12 C14 116.5(17) . . ?
C27 C13 H13 119.9 . . ?
C43 C13 H13 119.9 . . ?
C43 C13 C27 120.3(17) . . ?
C9 C14 C12 124.1(19) . . ?
C9 C14 H14 117.9 . . ?
C12 C14 H14 117.9 . . ?
N7 C15 C58 116.2(12) . . ?
C19 C15 N7 121.5(12) . . ?
C19 C15 C58 122.2(13) . . ?
P4 C16 H16A 108.2 . . ?
P4 C16 H16B 108.2 . . ?
H16A C16 H16B 107.4 . . ?
C20 C16 P4 116.2(9) . . ?
C20 C16 H16A 108.2 . . ?
C20 C16 H16B 108.2 . . ?
C5 C17 H17 121.2 . . ?
C41 C17 C5 117.6(18) . . ?
C41 C17 H17 121.2 . . ?
N4 C18 C9 122.6(17) . . ?
N4 C18 H18 118.7 . . ?
C9 C18 H18 118.7 . . ?
C15 C19 H19 119.3 . . ?
C15 C19 C35 121.5(14) . . ?
C35 C19 H19 119.3 . . ?
P3 C20 H20A 108.2 . . ?
P3 C20 H20B 108.2 . . ?
C16 C20 P3 116.4(10) . . ?
C16 C20 H20A 108.2 . . ?
C16 C20 H20B 108.2 . . ?
H20A C20 H20B 107.3 . . ?
N2 C21 H21 116.0 . . ?
C51 C21 N2 128.0(18) . . ?
C51 C21 H21 116.0 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C32 C22 H22A 109.5 . . ?
C32 C22 H22B 109.5 . . ?
C32 C22 H22C 109.5 . . ?
N9 C23 H23 120.0 . . ?
N9 C23 C45 120.1(18) . . ?
C45 C23 H23 120.0 . . ?
P2 C24 H24A 107.7 . . ?
P2 C24 H24B 107.7 . . ?
H24A C24 H24B 107.1 . . ?
C56 C24 P2 118.3(10) . . ?
C56 C24 H24A 107.7 . . ?
C56 C24 H24B 107.7 . . ?
C35 C25 H25 120.0 . . ?
C35 C25 C47 120.0(15) . . ?
C47 C25 H25 120.0 . . ?
P4 C26 H26A 109.2 . . ?
P4 C26 H26B 109.2 . . ?
C1 C26 P4 112.0(10) . . ?
C1 C26 H26A 109.2 . . ?
C1 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C13 C27 H27 120.7 . . ?
C13 C27 C39 118.6(19) . . ?
C39 C27 H27 120.7 . . ?
N9 C28 C50 116.8(14) . . ?
C30 C28 N9 120.3(17) . . ?
C30 C28 C50 122.9(16) . . ?
N6 C29 H29 119.1 . . ?
C33 C29 N6 121.8(19) . . ?
C33 C29 H29 119.1 . . ?
C3 C30 C28 122(2) . . ?
C3 C30 H30 119.1 . . ?
C28 C30 H30 119.1 . . ?
P3 C31 H31A 108.7 . . ?
P3 C31 H31B 108.7 . . ?
C10 C31 P3 114.0(10) . . ?
C10 C31 H31A 108.7 . . ?
C10 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
N12 C32 C22 176(2) . . ?
C29 C33 H33 120.2 . . ?
C29 C33 C42 119.5(18) . . ?
C42 C33 H33 120.2 . . ?
N1 C34 H34 116.8 . . ?
C11 C34 N1 126.4(14) . . ?
C11 C34 H34 116.8 . . ?
C19 C35 H35 121.0 . . ?
C25 C35 C19 118.0(15) . . ?
C25 C35 H35 121.0 . . ?
N4 C36 C12 120.7(14) . . ?
N4 C36 C52 118.4(13) . . ?
C12 C36 C52 120.4(14) . . ?
N3 C37 H37 116.9 . . ?
N3 C37 C43 126.3(19) . . ?
C43 C37 H37 116.9 . . ?
P3 C38 H38A 108.4 . . ?
P3 C38 H38B 108.4 . . ?
H38A C38 H38B 107.4 . . ?
C39 C38 P3 115.6(11) . . ?
C39 C38 H38A 108.4 . . ?
C39 C38 H38B 108.4 . . ?
N3 C39 C27 121.0(16) . . ?
N3 C39 C38 118.8(15) . . ?
C27 C39 C38 120.0(19) . . ?
N10 C40 C53 178(2) . . ?
C17 C41 H41 118.9 . . ?
C17 C41 C48 122.3(16) . . ?
C48 C41 H41 118.9 . . ?
C6 C42 C33 116.9(17) . . ?
C6 C42 H42 121.6 . . ?
C33 C42 H42 121.6 . . ?
C13 C43 H43 121.8 . . ?
C37 C43 C13 116.5(17) . . ?
C37 C43 H43 121.8 . . ?
C1 C44 H44 119.3 . . ?
C2 C44 C1 121.4(13) . . ?
C2 C44 H44 119.3 . . ?
C3 C45 C23 120(2) . . ?
C3 C45 H45 119.9 . . ?
C23 C45 H45 119.9 . . ?
N6 C46 C6 119.3(15) . . ?
N6 C46 C54 119.7(13) . . ?
C6 C46 C54 120.9(15) . . ?
N7 C47 C25 121.9(15) . . ?
N7 C47 H47 119.1 . . ?
C25 C47 H47 119.1 . . ?
N8 C48 H48 120.6 . . ?
C41 C48 N8 118.9(14) . . ?
C41 C48 H48 120.6 . . ?
C51 C49 H49 118.7 . . ?
C51 C49 C60 122.5(19) . . ?
C60 C49 H49 118.7 . . ?
P1 C50 H50A 109.1 . . ?
P1 C50 H50B 109.1 . . ?
C28 C50 P1 112.5(11) . . ?
C28 C50 H50A 109.1 . . ?
C28 C50 H50B 109.1 . . ?
H50A C50 H50B 107.8 . . ?
C21 C51 H51 122.1 . . ?
C49 C51 C21 115.8(17) . . ?
C49 C51 H51 122.1 . . ?
P4 C52 H52A 108.6 . . ?
P4 C52 H52B 108.6 . . ?
C36 C52 P4 114.7(10) . . ?
C36 C52 H52A 108.6 . . ?
C36 C52 H52B 108.6 . . ?
H52A C52 H52B 107.6 . . ?
C40 C53 H53A 109.5 . . ?
C40 C53 H53B 109.5 . . ?
C40 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
P1 C54 H54A 108.4 . . ?
P1 C54 H54B 108.4 . . ?
C46 C54 P1 115.4(10) . . ?
C46 C54 H54A 108.4 . . ?
C46 C54 H54B 108.4 . . ?
H54A C54 H54B 107.5 . . ?
N5 C55 C7 177(3) . . ?
N2 C56 C24 117.8(14) . . ?
N2 C56 C60 120.2(14) . . ?
C60 C56 C24 122.0(15) . . ?
N11 C57 C59 177(3) . . ?
P2 C58 H58A 109.9 . . ?
P2 C58 H58B 109.9 . . ?
C15 C58 P2 108.8(9) . . ?
C15 C58 H58A 109.9 . . ?
C15 C58 H58B 109.9 . . ?
H58A C58 H58B 108.3 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C49 C60 C56 119.1(17) . . ?
C49 C60 H60 120.5 . . ?
C56 C60 H60 120.5 . . ?
F2 P5 F11 93.5(13) . . ?
F2 P5 F17 92.1(12) . . ?
F9 P5 F2 87.4(13) . . ?
F9 P5 F11 92.0(11) . . ?
F9 P5 F17 177.0(14) . . ?
F17 P5 F11 91.0(13) . . ?
F23 P5 F2 174.1(15) . . ?
F23 P5 F9 87.0(13) . . ?
F23 P5 F11 88.6(12) . . ?
F23 P5 F17 93.4(13) . . ?
F23 P5 F24 94.1(12) . . ?
F24 P5 F2 83.8(11) . . ?
F24 P5 F9 88.5(13) . . ?
F24 P5 F11 177.2(12) . . ?
F24 P5 F17 88.5(10) . . ?
F3 P6 F8 176.1(10) . . ?
F3 P6 F14 88.3(10) . . ?
F3 P6 F16 89.2(9) . . ?
F3 P6 F18 87.8(10) . . ?
F3 P6 F20 87.8(10) . . ?
F8 P6 F14 92.2(9) . . ?
F8 P6 F18 91.6(9) . . ?
F8 P6 F20 88.4(8) . . ?
F14 P6 F20 91.5(8) . . ?
F16 P6 F8 94.6(9) . . ?
F16 P6 F14 92.4(8) . . ?
F16 P6 F18 88.9(9) . . ?
F16 P6 F20 175.0(10) . . ?
F18 P6 F14 175.8(10) . . ?
F18 P6 F20 87.0(9) . . ?
F4 P7 F1 89.6(7) . . ?
F4 P7 F12 87.4(7) . . ?
F4 P7 F22 90.2(8) . . ?
F6 P7 F1 91.9(8) . . ?
F6 P7 F4 90.7(8) . . ?
F6 P7 F10 91.4(8) . . ?
F6 P7 F12 177.6(9) . . ?
F6 P7 F22 89.1(9) . . ?
F10 P7 F1 91.3(8) . . ?
F10 P7 F4 177.6(7) . . ?
F10 P7 F12 90.4(8) . . ?
F10 P7 F22 88.8(8) . . ?
F12 P7 F1 89.5(8) . . ?
F22 P7 F1 179.0(8) . . ?
F22 P7 F12 89.5(8) . . ?
F7 P8 F5 179.0(14) . . ?
F7 P8 F19 88.6(15) . . ?
F7 P8 F21 84.9(12) . . ?
F13 P8 F5 87.2(12) . . ?
F13 P8 F7 92.1(12) . . ?
F13 P8 F15 175.0(13) . . ?
F13 P8 F19 92.4(12) . . ?
F13 P8 F21 97.3(13) . . ?
F15 P8 F5 88.1(12) . . ?
F15 P8 F7 92.7(11) . . ?
F15 P8 F19 85.9(13) . . ?
F15 P8 F21 84.9(13) . . ?
F19 P8 F5 92.1(11) . . ?
F21 P8 F5 94.5(15) . . ?
F21 P8 F19 168.5(14) . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 419 electrons were 
found in a volume of 1316Å³ in 1 void per unit cell. 
This is consistent with the presence of 
10[CH3CN] solvate molecules per Unit Cell 
which account for 440 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.458 -0.623 0.000 1316.1 419.3 '20 CH3CN'

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

data_anb552
_database_code_depnum_ccdc_archive 'CCDC 2265014'
loop_
_audit_author_name
_audit_author_address
'Irina Bagryanskaya'
;Institute of Organic Chemistry, Novosibirsk
Russia
;
_audit_update_record             
;
2023-05-24 deposited with the CCDC.	2025-06-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        
'Complex gold(I) phenylacetylide with  1,2-bis[bis(pyridin-2-ylmethyl)phosphino]ethane'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C42 H38 Au2 N4 P2'
_chemical_formula_sum            'C42 H38 Au2 N4 P2'
_chemical_formula_weight         1054.63

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -y, -z'

_cell_length_a                   10.6314(6)
_cell_length_b                   12.0455(7)
_cell_length_c                   16.7803(10)
_cell_angle_alpha                89.945(2)
_cell_angle_beta                 74.808(2)
_cell_angle_gamma                68.814(2)
_cell_volume                     1923.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9996
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      30.33

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.821
_exptl_crystal_F_000             1012
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    7.738
_shelx_estimated_absorpt_T_min   0.063
_shelx_estimated_absorpt_T_max   0.512
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3247
_exptl_absorpt_correction_T_max  0.8017
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20524
_diffrn_reflns_av_unetI/netI     0.0594
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.108
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8818
_reflns_number_gt                7204
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0567P)²+1.2611P] 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_number_reflns         8818
_refine_ls_number_parameters     451
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0362
_refine_ls_wR_factor_ref         0.1084
_refine_ls_wR_factor_gt          0.1000
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.005
_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 0.36859(2) 0.48975(2) 0.32168(2) 0.02490(8) Uani 1 1 d . . . . .
Au2 Au 0.57274(2) 0.31855(2) 0.15664(2) 0.02498(8) Uani 1 1 d . . . . .
P1 P 0.64415(14) 0.45293(13) 0.08076(8) 0.0220(3) Uani 1 1 d . . . . .
P2 P 0.49035(14) 0.37446(13) 0.40487(8) 0.0237(3) Uani 1 1 d . . . . .
C39 C 0.2506(6) 0.5984(5) 0.2559(3) 0.0284(12) Uani 1 1 d . . . . .
C40 C 0.5240(6) 0.1839(5) 0.2105(3) 0.0280(12) Uani 1 1 d . . . . .
C41 C 0.4778(7) -0.0077(5) 0.2654(3) 0.0332(13) Uani 1 1 d . . . . .
N1 N 0.9704(6) 0.4581(5) 0.1146(3) 0.0417(13) Uani 1 1 d . . . . .
N2 N 0.5142(6) 0.7483(5) 0.0441(3) 0.0370(12) Uani 1 1 d . . . . .
C42 C 0.6805(6) 0.3037(5) 0.3546(4) 0.0309(13) Uani 1 1 d . . . . .
H32 H 0.695834 0.280801 0.295179 0.037 Uiso 1 1 calc R U . . .
H31 H 0.724288 0.362855 0.357790 0.037 Uiso 1 1 calc R U . . .
N3 N 0.7667(6) 0.2186(7) 0.4669(4) 0.0587(18) Uani 1 1 d . . . . .
N4 N 0.2175(6) 0.3306(5) 0.5456(3) 0.0382(12) Uani 1 1 d . . . . .
C1 C 0.1810(6) 0.6715(6) 0.2208(3) 0.0301(12) Uani 1 1 d . . . . .
C2 C 0.0986(6) 0.7665(6) 0.1811(4) 0.0313(13) Uani 1 1 d . . . . .
C3 C 0.1602(7) 0.8356(6) 0.1305(4) 0.0379(14) Uani 1 1 d . . . . .
H5 H 0.258234 0.817586 0.119623 0.045 Uiso 1 1 calc R U . . .
C4 C 0.0807(8) 0.9296(7) 0.0964(4) 0.0499(18) Uani 1 1 d . . . . .
H4 H 0.124105 0.975894 0.061990 0.060 Uiso 1 1 calc R U . . .
C5 C -0.0616(8) 0.9570(7) 0.1116(5) 0.0531(19) Uani 1 1 d . . . . .
H1 H -0.116505 1.024051 0.089467 0.064 Uiso 1 1 calc R U . . .
C6 C -0.1232(7) 0.8888(7) 0.1579(5) 0.0519(19) Uani 1 1 d . . . . .
H3 H -0.220291 0.905436 0.165913 0.062 Uiso 1 1 calc R U . . .
C7 C -0.0443(7) 0.7944(7) 0.1938(4) 0.0453(17) Uani 1 1 d . . . . .
H2 H -0.088910 0.748230 0.227456 0.054 Uiso 1 1 calc R U . . .
C8 C 0.5038(6) 0.0966(6) 0.2348(4) 0.0323(13) Uani 1 1 d . . . . .
C9 C 0.3707(7) -0.0369(6) 0.2503(4) 0.0417(16) Uani 1 1 d . . . . .
H10 H 0.311089 0.014015 0.220985 0.050 Uiso 1 1 calc R U . . .
C10 C 0.3491(9) -0.1384(7) 0.2772(4) 0.056(2) Uani 1 1 d . . . . .
H6 H 0.274844 -0.157106 0.266998 0.067 Uiso 1 1 calc R U . . .
C11 C 0.4366(9) -0.2123(6) 0.3189(4) 0.0497(19) Uani 1 1 d . . . . .
H7 H 0.422642 -0.282702 0.337326 0.060 Uiso 1 1 calc R U . . .
C12 C 0.5427(9) -0.1862(7) 0.3341(4) 0.0528(19) Uani 1 1 d . . . . .
H8 H 0.604184 -0.239663 0.361342 0.063 Uiso 1 1 calc R U . . .
C13 C 0.5618(7) -0.0825(6) 0.3103(4) 0.0416(15) Uani 1 1 d . . . . .
H9 H 0.632111 -0.061929 0.324476 0.050 Uiso 1 1 calc R U . . .
C14 C 0.8364(6) 0.3999(5) 0.0372(3) 0.0271(12) Uani 1 1 d . . . . .
H16 H 0.868901 0.324373 0.000965 0.033 Uiso 1 1 calc R U . . .
H11 H 0.859785 0.459819 0.002232 0.033 Uiso 1 1 calc R U . . .
C15 C 0.9147(6) 0.3784(5) 0.1024(3) 0.0292(12) Uani 1 1 d . . . . .
C16 C 1.0475(8) 0.4365(8) 0.1686(5) 0.058(2) Uani 1 1 d . . . . .
H12 H 1.087459 0.492819 0.177315 0.070 Uiso 1 1 calc R U . . .
C17 C 1.0722(8) 0.3383(9) 0.2119(5) 0.064(2) Uani 1 1 d . . . . .
H13 H 1.128704 0.326655 0.249004 0.077 Uiso 1 1 calc R U . . .
C18 C 1.0132(8) 0.2562(9) 0.2007(5) 0.063(2) Uani 1 1 d . . . . .
H14 H 1.027540 0.187292 0.230047 0.076 Uiso 1 1 calc R U . . .
C19 C 0.9323(6) 0.2776(7) 0.1451(4) 0.0449(17) Uani 1 1 d . . . . .
H15 H 0.889401 0.223544 0.136507 0.054 Uiso 1 1 calc R U . . .
C20 C 0.5921(6) 0.6011(5) 0.1357(3) 0.0275(12) Uani 1 1 d . . . . .
H17 H 0.491128 0.629301 0.166352 0.033 Uiso 1 1 calc R U . . .
H22 H 0.645522 0.593399 0.176987 0.033 Uiso 1 1 calc R U . . .
C21 C 0.6158(6) 0.6939(5) 0.0802(3) 0.0274(12) Uani 1 1 d . . . . .
C22 C 0.5319(8) 0.8286(6) -0.0080(4) 0.0438(16) Uani 1 1 d . . . . .
H21 H 0.460090 0.867248 -0.033807 0.053 Uiso 1 1 calc R U . . .
C23 C 0.6492(8) 0.8583(6) -0.0262(4) 0.0479(18) Uani 1 1 d . . . . .
H20 H 0.658657 0.915248 -0.064179 0.057 Uiso 1 1 calc R U . . .
C24 C 0.7518(7) 0.8034(6) 0.0119(5) 0.0478(18) Uani 1 1 d . . . . .
H18 H 0.833544 0.822505 0.001156 0.057 Uiso 1 1 calc R U . . .
C25 C 0.7353(7) 0.7206(6) 0.0656(4) 0.0426(16) Uani 1 1 d . . . . .
H19 H 0.805373 0.681912 0.092547 0.051 Uiso 1 1 calc R U . . .
C26 C 0.5810(5) 0.4756(5) -0.0112(3) 0.0217(10) Uani 1 1 d . . . . .
H23 H 0.615559 0.532718 -0.043548 0.026 Uiso 1 1 calc R U . . .
H24 H 0.619558 0.398624 -0.046624 0.026 Uiso 1 1 calc R U . . .
C27 C 0.4744(6) 0.4481(5) 0.5041(3) 0.0285(12) Uani 1 1 d . . . . .
H26 H 0.374609 0.478484 0.537333 0.034 Uiso 1 1 calc R U . . .
H25 H 0.528994 0.388131 0.534979 0.034 Uiso 1 1 calc R U . . .
C28 C 0.7516(6) 0.1958(6) 0.3926(4) 0.0380(14) Uani 1 1 d . . . . .
C29 C 0.7948(10) 0.0821(8) 0.3540(7) 0.082(3) Uani 1 1 d . . . . .
H30 H 0.787619 0.070871 0.299555 0.099 Uiso 1 1 calc R U . . .
C30 C 0.8483(14) -0.0145(11) 0.3949(12) 0.138(7) Uani 1 1 d . . . . .
H27 H 0.878905 -0.093309 0.368820 0.166 Uiso 1 1 calc R U . . .
C31 C 0.8575(13) 0.0022(14) 0.4722(11) 0.125(6) Uani 1 1 d . . . . .
H29 H 0.888737 -0.063702 0.502803 0.150 Uiso 1 1 calc R U . . .
C32 C 0.8204(10) 0.1170(14) 0.5051(7) 0.106(5) Uani 1 1 d . . . . .
H28 H 0.832285 0.127995 0.558262 0.128 Uiso 1 1 calc R U . . .
C33 C 0.4345(6) 0.2495(5) 0.4355(3) 0.0274(12) Uani 1 1 d . . . . .
H33 H 0.471235 0.188142 0.387255 0.033 Uiso 1 1 calc R U . . .
H34 H 0.476100 0.212391 0.479894 0.033 Uiso 1 1 calc R U . . .
C34 C 0.2772(6) 0.2871(5) 0.4660(3) 0.0272(12) Uani 1 1 d . . . . .
C35 C 0.2007(7) 0.2745(7) 0.4136(4) 0.0422(16) Uani 1 1 d . . . . .
H35 H 0.246692 0.243289 0.357179 0.051 Uiso 1 1 calc R U . . .
C36 C 0.0564(7) 0.3079(7) 0.4446(4) 0.0493(18) Uani 1 1 d . . . . .
H36 H 0.001677 0.300388 0.409795 0.059 Uiso 1 1 calc R U . . .
C37 C -0.0050(7) 0.3516(7) 0.5257(4) 0.0498(18) Uani 1 1 d . . . . .
H37 H -0.103433 0.373976 0.548949 0.060 Uiso 1 1 calc R U . . .
C38 C 0.0775(8) 0.3631(7) 0.5740(4) 0.0503(18) Uani 1 1 d . . . . .
H38 H 0.032905 0.395637 0.630281 0.060 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 C39 2.010(6) . ?
Au1 P2 2.2797(14) . ?
Au1 Au2 3.2029(3) . ?
Au2 C40 2.018(5) . ?
Au2 P1 2.2793(13) . ?
P1 C26 1.821(5) . ?
P1 C20 1.834(6) . ?
P1 C14 1.842(5) . ?
P2 C27 1.827(5) . ?
P2 C33 1.835(6) . ?
P2 C42 1.841(6) . ?
C39 C1 1.194(8) . ?
C40 C8 1.198(8) . ?
C41 C9 1.388(9) . ?
C41 C13 1.396(8) . ?
C41 C8 1.447(8) . ?
N1 C15 1.337(8) . ?
N1 C16 1.340(8) . ?
N2 C22 1.334(8) . ?
N2 C21 1.339(7) . ?
C42 C28 1.485(8) . ?
C42 H32 0.9900 . ?
C42 H31 0.9900 . ?
N3 C28 1.338(8) . ?
N3 C32 1.386(13) . ?
N4 C34 1.333(7) . ?
N4 C38 1.343(8) . ?
C1 C2 1.448(8) . ?
C2 C7 1.389(9) . ?
C2 C3 1.395(8) . ?
C3 C4 1.373(9) . ?
C3 H5 0.9500 . ?
C4 C5 1.378(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.353(10) . ?
C5 H1 0.9500 . ?
C6 C7 1.390(9) . ?
C6 H3 0.9500 . ?
C7 H2 0.9500 . ?
C9 C10 1.378(9) . ?
C9 H10 0.9500 . ?
C10 C11 1.374(11) . ?
C10 H6 0.9500 . ?
C11 C12 1.359(10) . ?
C11 H7 0.9500 . ?
C12 C13 1.379(9) . ?
C12 H8 0.9500 . ?
C13 H9 0.9500 . ?
C14 C15 1.509(7) . ?
C14 H16 0.9900 . ?
C14 H11 0.9900 . ?
C15 C19 1.390(8) . ?
C16 C17 1.368(12) . ?
C16 H12 0.9500 . ?
C17 C18 1.385(12) . ?
C17 H13 0.9500 . ?
C18 C19 1.390(9) . ?
C18 H14 0.9500 . ?
C19 H15 0.9500 . ?
C20 C21 1.503(7) . ?
C20 H17 0.9900 . ?
C20 H22 0.9900 . ?
C21 C25 1.381(8) . ?
C22 C23 1.377(10) . ?
C22 H21 0.9500 . ?
C23 C24 1.371(10) . ?
C23 H20 0.9500 . ?
C24 C25 1.371(9) . ?
C24 H18 0.9500 . ?
C25 H19 0.9500 . ?
C26 C26 1.543(10) 2_665 ?
C26 H23 0.9900 . ?
C26 H24 0.9900 . ?
C27 C27 1.526(11) 2_666 ?
C27 H26 0.9900 . ?
C27 H25 0.9900 . ?
C28 C29 1.378(11) . ?
C29 C30 1.369(15) . ?
C29 H30 0.9500 . ?
C30 C31 1.35(2) . ?
C30 H27 0.9500 . ?
C31 C32 1.37(2) . ?
C31 H29 0.9500 . ?
C32 H28 0.9500 . ?
C33 C34 1.507(8) . ?
C33 H33 0.9900 . ?
C33 H34 0.9900 . ?
C34 C35 1.385(8) . ?
C35 C36 1.387(9) . ?
C35 H35 0.9500 . ?
C36 C37 1.358(10) . ?
C36 H36 0.9500 . ?
C37 C38 1.380(10) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C39 Au1 P2 175.80(16) . . ?
C39 Au1 Au2 91.09(16) . . ?
P2 Au1 Au2 93.07(4) . . ?
C40 Au2 P1 172.45(16) . . ?
C40 Au2 Au1 87.56(16) . . ?
P1 Au2 Au1 99.96(4) . . ?
C26 P1 C20 107.3(3) . . ?
C26 P1 C14 103.1(2) . . ?
C20 P1 C14 105.5(3) . . ?
C26 P1 Au2 111.09(16) . . ?
C20 P1 Au2 115.95(17) . . ?
C14 P1 Au2 112.99(18) . . ?
C27 P2 C33 103.1(2) . . ?
C27 P2 C42 105.3(3) . . ?
C33 P2 C42 104.8(3) . . ?
C27 P2 Au1 116.8(2) . . ?
C33 P2 Au1 112.29(18) . . ?
C42 P2 Au1 113.36(18) . . ?
C1 C39 Au1 174.0(5) . . ?
C8 C40 Au2 173.1(5) . . ?
C9 C41 C13 118.3(6) . . ?
C9 C41 C8 121.4(6) . . ?
C13 C41 C8 120.3(6) . . ?
C15 N1 C16 117.8(6) . . ?
C22 N2 C21 118.2(5) . . ?
C28 C42 P2 113.4(4) . . ?
C28 C42 H32 108.9 . . ?
P2 C42 H32 108.9 . . ?
C28 C42 H31 108.9 . . ?
P2 C42 H31 108.9 . . ?
H32 C42 H31 107.7 . . ?
C28 N3 C32 113.9(9) . . ?
C34 N4 C38 117.0(6) . . ?
C39 C1 C2 176.0(6) . . ?
C7 C2 C3 117.6(6) . . ?
C7 C2 C1 121.6(5) . . ?
C3 C2 C1 120.7(5) . . ?
C4 C3 C2 120.7(6) . . ?
C4 C3 H5 119.7 . . ?
C2 C3 H5 119.6 . . ?
C3 C4 C5 120.4(6) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C4 120.1(6) . . ?
C6 C5 H1 119.9 . . ?
C4 C5 H1 119.9 . . ?
C5 C6 C7 120.0(7) . . ?
C5 C6 H3 120.0 . . ?
C7 C6 H3 120.0 . . ?
C2 C7 C6 121.0(6) . . ?
C2 C7 H2 119.5 . . ?
C6 C7 H2 119.5 . . ?
C40 C8 C41 179.1(7) . . ?
C10 C9 C41 121.2(6) . . ?
C10 C9 H10 119.4 . . ?
C41 C9 H10 119.4 . . ?
C9 C10 C11 119.1(7) . . ?
C9 C10 H6 120.5 . . ?
C11 C10 H6 120.5 . . ?
C12 C11 C10 120.9(6) . . ?
C12 C11 H7 119.5 . . ?
C10 C11 H7 119.5 . . ?
C11 C12 C13 120.4(7) . . ?
C11 C12 H8 119.8 . . ?
C13 C12 H8 119.8 . . ?
C12 C13 C41 119.9(6) . . ?
C12 C13 H9 120.0 . . ?
C41 C13 H9 120.0 . . ?
C15 C14 P1 113.6(4) . . ?
C15 C14 H16 108.9 . . ?
P1 C14 H16 108.9 . . ?
C15 C14 H11 108.9 . . ?
P1 C14 H11 108.9 . . ?
H16 C14 H11 107.7 . . ?
N1 C15 C19 121.9(6) . . ?
N1 C15 C14 117.1(5) . . ?
C19 C15 C14 121.0(5) . . ?
N1 C16 C17 123.9(7) . . ?
N1 C16 H12 118.0 . . ?
C17 C16 H12 118.0 . . ?
C16 C17 C18 118.7(7) . . ?
C16 C17 H13 120.7 . . ?
C18 C17 H13 120.7 . . ?
C17 C18 C19 118.1(7) . . ?
C17 C18 H14 121.0 . . ?
C19 C18 H14 121.0 . . ?
C15 C19 C18 119.6(7) . . ?
C15 C19 H15 120.2 . . ?
C18 C19 H15 120.2 . . ?
C21 C20 P1 114.2(4) . . ?
C21 C20 H17 108.7 . . ?
P1 C20 H17 108.7 . . ?
C21 C20 H22 108.7 . . ?
P1 C20 H22 108.7 . . ?
H17 C20 H22 107.6 . . ?
N2 C21 C25 121.6(5) . . ?
N2 C21 C20 115.6(5) . . ?
C25 C21 C20 122.8(5) . . ?
N2 C22 C23 123.2(6) . . ?
N2 C22 H21 118.4 . . ?
C23 C22 H21 118.4 . . ?
C24 C23 C22 118.3(6) . . ?
C24 C23 H20 120.9 . . ?
C22 C23 H20 120.9 . . ?
C25 C24 C23 119.3(6) . . ?
C25 C24 H18 120.4 . . ?
C23 C24 H18 120.4 . . ?
C24 C25 C21 119.5(6) . . ?
C24 C25 H19 120.3 . . ?
C21 C25 H19 120.3 . . ?
C26 C26 P1 112.0(4) 2_665 . ?
C26 C26 H23 109.2 2_665 . ?
P1 C26 H23 109.2 . . ?
C26 C26 H24 109.2 2_665 . ?
P1 C26 H24 109.2 . . ?
H23 C26 H24 107.9 . . ?
C27 C27 P2 113.9(5) 2_666 . ?
C27 C27 H26 108.8 2_666 . ?
P2 C27 H26 108.8 . . ?
C27 C27 H25 108.8 2_666 . ?
P2 C27 H25 108.8 . . ?
H26 C27 H25 107.7 . . ?
N3 C28 C29 123.7(7) . . ?
N3 C28 C42 114.7(6) . . ?
C29 C28 C42 121.6(7) . . ?
C28 C29 C30 119.2(11) . . ?
C28 C29 H30 120.4 . . ?
C30 C29 H30 120.4 . . ?
C31 C30 C29 120.0(13) . . ?
C31 C30 H27 120.0 . . ?
C29 C30 H27 120.0 . . ?
C30 C31 C32 117.8(11) . . ?
C30 C31 H29 121.1 . . ?
C32 C31 H29 121.1 . . ?
C31 C32 N3 125.1(12) . . ?
C31 C32 H28 117.5 . . ?
N3 C32 H28 117.5 . . ?
C34 C33 P2 113.1(4) . . ?
C34 C33 H33 109.0 . . ?
P2 C33 H33 109.0 . . ?
C34 C33 H34 109.0 . . ?
P2 C33 H34 109.0 . . ?
H33 C33 H34 107.8 . . ?
N4 C34 C35 122.6(5) . . ?
N4 C34 C33 116.3(5) . . ?
C35 C34 C33 121.0(5) . . ?
C34 C35 C36 119.2(6) . . ?
C34 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
C37 C36 C35 118.5(7) . . ?
C37 C36 H36 120.8 . . ?
C35 C36 H36 120.8 . . ?
C36 C37 C38 119.2(6) . . ?
C36 C37 H37 120.4 . . ?
C38 C37 H37 120.4 . . ?
N4 C38 C37 123.5(6) . . ?
N4 C38 H38 118.3 . . ?
C37 C38 H38 118.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C27 P2 C42 C28 73.4(5) . . . . ?
C33 P2 C42 C28 -35.0(5) . . . . ?
Au1 P2 C42 C28 -157.8(4) . . . . ?
C7 C2 C3 C4 1.5(10) . . . . ?
C1 C2 C3 C4 -176.6(6) . . . . ?
C2 C3 C4 C5 0.0(11) . . . . ?
C3 C4 C5 C6 -2.4(12) . . . . ?
C4 C5 C6 C7 3.3(12) . . . . ?
C3 C2 C7 C6 -0.7(10) . . . . ?
C1 C2 C7 C6 177.4(7) . . . . ?
C5 C6 C7 C2 -1.7(12) . . . . ?
C13 C41 C9 C10 -1.4(10) . . . . ?
C8 C41 C9 C10 177.8(6) . . . . ?
C41 C9 C10 C11 -0.6(12) . . . . ?
C9 C10 C11 C12 0.3(12) . . . . ?
C10 C11 C12 C13 2.2(12) . . . . ?
C11 C12 C13 C41 -4.3(11) . . . . ?
C9 C41 C13 C12 3.9(10) . . . . ?
C8 C41 C13 C12 -175.4(6) . . . . ?
C26 P1 C14 C15 177.9(4) . . . . ?
C20 P1 C14 C15 65.5(5) . . . . ?
Au2 P1 C14 C15 -62.1(4) . . . . ?
C16 N1 C15 C19 1.5(10) . . . . ?
C16 N1 C15 C14 -176.0(6) . . . . ?
P1 C14 C15 N1 -106.3(5) . . . . ?
P1 C14 C15 C19 76.1(7) . . . . ?
C15 N1 C16 C17 -0.2(12) . . . . ?
N1 C16 C17 C18 -0.8(13) . . . . ?
C16 C17 C18 C19 0.5(12) . . . . ?
N1 C15 C19 C18 -1.9(10) . . . . ?
C14 C15 C19 C18 175.6(6) . . . . ?
C17 C18 C19 C15 0.8(11) . . . . ?
C26 P1 C20 C21 -43.8(5) . . . . ?
C14 P1 C20 C21 65.6(5) . . . . ?
Au2 P1 C20 C21 -168.6(3) . . . . ?
C22 N2 C21 C25 1.1(9) . . . . ?
C22 N2 C21 C20 -177.8(5) . . . . ?
P1 C20 C21 N2 83.5(6) . . . . ?
P1 C20 C21 C25 -95.3(6) . . . . ?
C21 N2 C22 C23 -0.2(10) . . . . ?
N2 C22 C23 C24 -0.8(11) . . . . ?
C22 C23 C24 C25 0.7(11) . . . . ?
C23 C24 C25 C21 0.1(11) . . . . ?
N2 C21 C25 C24 -1.1(10) . . . . ?
C20 C21 C25 C24 177.7(6) . . . . ?
C20 P1 C26 C26 -67.4(5) . . . 2_665 ?
C14 P1 C26 C26 -178.4(5) . . . 2_665 ?
Au2 P1 C26 C26 60.3(5) . . . 2_665 ?
C33 P2 C27 C27 175.8(6) . . . 2_666 ?
C42 P2 C27 C27 66.2(7) . . . 2_666 ?
Au1 P2 C27 C27 -60.6(7) . . . 2_666 ?
C32 N3 C28 C29 -4.7(11) . . . . ?
C32 N3 C28 C42 173.9(6) . . . . ?
P2 C42 C28 N3 -73.2(6) . . . . ?
P2 C42 C28 C29 105.5(7) . . . . ?
N3 C28 C29 C30 4.4(14) . . . . ?
C42 C28 C29 C30 -174.2(9) . . . . ?
C28 C29 C30 C31 0.3(19) . . . . ?
C29 C30 C31 C32 -4(2) . . . . ?
C30 C31 C32 N3 3.6(19) . . . . ?
C28 N3 C32 C31 0.7(14) . . . . ?
C27 P2 C33 C34 79.1(4) . . . . ?
C42 P2 C33 C34 -171.0(4) . . . . ?
Au1 P2 C33 C34 -47.5(4) . . . . ?
C38 N4 C34 C35 -0.2(9) . . . . ?
C38 N4 C34 C33 -179.2(6) . . . . ?
P2 C33 C34 N4 -83.9(5) . . . . ?
P2 C33 C34 C35 97.2(6) . . . . ?
N4 C34 C35 C36 -0.2(10) . . . . ?
C33 C34 C35 C36 178.7(6) . . . . ?
C34 C35 C36 C37 -0.3(11) . . . . ?
C35 C36 C37 C38 1.1(11) . . . . ?
C34 N4 C38 C37 1.1(10) . . . . ?
C36 C37 C38 N4 -1.6(12) . . . . ?

_refine_diff_density_max         2.132
_refine_diff_density_min         -1.955
_refine_diff_density_rms         0.195


