#------------------------------------------------------------------------------
#$Date: 2023-05-05 03:30:55 +0300 (Fri, 05 May 2023) $
#$Revision: 283111 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/15/7131551.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7131551
loop_
_publ_author_name
'Eltester, M. Alexander'
'Gildenast, Hans'
'Rabatinová, Kristína'
'Pütz, Christopher'
'Cremer, Christopher'
'Lanzerath, Patrick'
'Schroers, Julian P.'
'Tauchert, Michael E.'
_publ_section_title
;
 Au → M bonds promote catalytic alkyne hydrofunctionalisation.
;
_journal_issue                   36
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5459
_journal_page_last               5462
_journal_paper_doi               10.1039/d3cc01008b
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety
'C44 H42 Ag Au N4 P2 S, 2(C2 F6 N O4 S2), C4 H10 O'
_chemical_formula_sum            'C52 H52 Ag Au F12 N6 O8 P2 S5'
_chemical_formula_weight         1644.07
_chemical_name_common            9
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-02-27 deposited with the CCDC.	2023-04-12 downloaded from the CCDC.
;
_cell_angle_alpha                96.576(2)
_cell_angle_beta                 108.838(2)
_cell_angle_gamma                107.971(2)
_cell_formula_units_Z            2
_cell_length_a                   14.1986(13)
_cell_length_b                   15.7612(15)
_cell_length_c                   15.7808(15)
_cell_measurement_reflns_used    8378
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.57
_cell_measurement_theta_min      2.20
_cell_volume                     3088.1(5)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-PLUS (Bruker, 2009)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  SHELXL2018
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0910
_diffrn_reflns_av_unetI/netI     0.0946
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.946
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            61181
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.946
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.873
_diffrn_reflns_theta_min         1.398
_exptl_absorpt_coefficient_mu    3.003
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.4638
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.768
_exptl_crystal_description       block
_exptl_crystal_F_000             1628
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.230
_refine_diff_density_max         2.008
_refine_diff_density_min         -1.717
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     750
_refine_ls_number_reflns         18445
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0478
_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)+(0.0310P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1031
_refine_ls_wR_factor_ref         0.1120
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14661
_reflns_number_total             18445
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc01008b3.cif
_cod_data_source_block           x22_17
_cod_depositor_comments
'Adding full bibliography for 7131547--7131553.cif.'
_cod_original_cell_volume        3088.0(5)
_cod_database_code               7131551
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.487
_shelx_estimated_absorpt_t_max   0.545
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.16775(2) 0.46773(2) 0.65806(2) 0.01585(5) Uani 1 1 d . . . . .
Ag1 Ag 0.10569(3) 0.26990(2) 0.61076(2) 0.02029(8) Uani 1 1 d . . . . .
S1 S -0.07148(9) 0.26767(8) 0.59826(9) 0.0253(2) Uani 1 1 d . . . . .
S2 S 0.56028(11) 0.52507(9) 0.74950(8) 0.0319(3) Uani 1 1 d . . . . .
S3 S 0.74046(11) 0.68137(10) 0.85478(10) 0.0352(3) Uani 1 1 d . . . . .
S4 S 0.59058(11) 1.11852(8) 0.71174(10) 0.0341(3) Uani 1 1 d . . . . .
S5 S 0.42657(10) 1.02886(8) 0.76662(9) 0.0261(2) Uani 1 1 d . . . . .
P1 P 0.19234(9) 0.47862(7) 0.81092(7) 0.0179(2) Uani 1 1 d . . . . .
P2 P 0.18935(9) 0.45529(7) 0.51907(7) 0.0151(2) Uani 1 1 d . . . . .
F1 F 0.6972(3) 0.4658(2) 0.8574(3) 0.0503(9) Uani 1 1 d . . . . .
F2 F 0.5662(3) 0.3601(2) 0.7465(2) 0.0468(8) Uani 1 1 d . . . . .
F3 F 0.5429(2) 0.4186(2) 0.8635(2) 0.0400(7) Uani 1 1 d . . . . .
F4 F 0.8131(3) 0.8439(3) 0.8269(3) 0.0623(11) Uani 1 1 d . . . . .
F5 F 0.6691(4) 0.7523(3) 0.7180(3) 0.0983(18) Uani 1 1 d . . . . .
F6 F 0.6636(3) 0.8118(3) 0.8445(3) 0.0755(13) Uani 1 1 d . . . . .
F7 F 0.6550(3) 1.0469(2) 0.5939(3) 0.0586(10) Uani 1 1 d . . . . .
F8 F 0.6768(3) 0.9936(3) 0.7156(3) 0.0671(11) Uani 1 1 d . . . . .
F9 F 0.5202(3) 0.9511(2) 0.6097(3) 0.0529(9) Uani 1 1 d . . . . .
F10 F 0.4821(3) 0.8849(2) 0.7704(2) 0.0579(10) Uani 1 1 d . . . . .
F11 F 0.4947(3) 0.9540(2) 0.9009(2) 0.0522(9) Uani 1 1 d . . . . .
F12 F 0.3409(3) 0.8719(2) 0.7983(3) 0.0710(12) Uani 1 1 d . . . . .
O1 O 0.5971(4) 0.5207(3) 0.6757(3) 0.0557(12) Uani 1 1 d . . . . .
O2 O 0.4477(3) 0.4999(3) 0.7282(3) 0.0455(10) Uani 1 1 d . . . . .
O3 O 0.7996(4) 0.6510(3) 0.8090(4) 0.0688(15) Uani 1 1 d . . . . .
O4 O 0.7903(3) 0.7176(3) 0.9509(3) 0.0515(11) Uani 1 1 d . . . . .
O5 O 0.6954(3) 1.1858(3) 0.7572(3) 0.0554(12) Uani 1 1 d . . . . .
O6 O 0.5170(3) 1.1376(3) 0.6383(3) 0.0493(11) Uani 1 1 d . . . . .
O7 O 0.3941(3) 1.0754(3) 0.8286(3) 0.0437(10) Uani 1 1 d . . . . .
O8 O 0.3550(3) 0.9924(3) 0.6728(2) 0.0379(9) Uani 1 1 d . . . . .
N1 N 0.2050(3) 0.1720(2) 0.6573(2) 0.0190(7) Uani 1 1 d . . . . .
N2 N 0.2169(3) 0.3183(2) 0.7919(2) 0.0194(7) Uani 1 1 d . . . . .
N3 N 0.2577(3) 0.3238(2) 0.5749(2) 0.0170(7) Uani 1 1 d . . . . .
N4 N 0.0458(3) 0.1305(2) 0.4664(3) 0.0217(8) Uani 1 1 d . . . . .
N5 N 0.5478(3) 1.0829(3) 0.7853(3) 0.0331(10) Uani 1 1 d . . . . .
N6 N 0.6216(3) 0.6147(3) 0.8302(3) 0.0310(9) Uani 1 1 d . . . . .
C1 C 0.2092(4) 0.1630(3) 0.7508(3) 0.0226(9) Uani 1 1 d . . . . .
H1A H 0.251639 0.124978 0.773021 0.027 Uiso 1 1 calc R U . . .
H1B H 0.135815 0.131597 0.748062 0.027 Uiso 1 1 calc R U . . .
C2 C 0.3128(3) 0.2128(3) 0.6561(3) 0.0202(9) Uani 1 1 d . . . . .
H2A H 0.337004 0.162703 0.640473 0.024 Uiso 1 1 calc R U . . .
H2B H 0.362667 0.249765 0.718730 0.024 Uiso 1 1 calc R U . . .
C3 C 0.1448(4) 0.0805(3) 0.5921(3) 0.0251(10) Uani 1 1 d . . . . .
H3A H 0.078318 0.050059 0.602088 0.030 Uiso 1 1 calc R U . . .
H3B H 0.188574 0.041779 0.603754 0.030 Uiso 1 1 calc R U . . .
C4 C 0.2589(3) 0.2560(3) 0.8173(3) 0.0215(9) Uani 1 1 d . . . . .
C5 C 0.3438(4) 0.2731(3) 0.9005(3) 0.0267(10) Uani 1 1 d . . . . .
H5 H 0.371003 0.226618 0.916293 0.032 Uiso 1 1 calc R U . . .
C6 C 0.3875(4) 0.3595(4) 0.9598(3) 0.0292(11) Uani 1 1 d . . . . .
H6 H 0.446064 0.373639 1.016518 0.035 Uiso 1 1 calc R U . . .
C7 C 0.3438(4) 0.4249(3) 0.9345(3) 0.0238(9) Uani 1 1 d . . . . .
H7 H 0.370660 0.484231 0.974199 0.029 Uiso 1 1 calc R U . . .
C8 C 0.2609(3) 0.4015(3) 0.8506(3) 0.0182(8) Uani 1 1 d . . . . .
C9 C 0.3194(3) 0.2734(3) 0.5885(3) 0.0193(9) Uani 1 1 d . . . . .
C10 C 0.3967(4) 0.2840(3) 0.5497(3) 0.0231(9) Uani 1 1 d . . . . .
H10 H 0.438635 0.246639 0.558842 0.028 Uiso 1 1 calc R U . . .
C11 C 0.4124(4) 0.3481(3) 0.4984(3) 0.0242(10) Uani 1 1 d . . . . .
H11 H 0.464483 0.355186 0.471452 0.029 Uiso 1 1 calc R U . . .
C12 C 0.3502(4) 0.4027(3) 0.4868(3) 0.0214(9) Uani 1 1 d . . . . .
H12 H 0.360029 0.448735 0.453189 0.026 Uiso 1 1 calc R U . . .
C13 C 0.2745(3) 0.3879(3) 0.5254(3) 0.0169(8) Uani 1 1 d . . . . .
C14 C 0.1171(4) 0.0897(3) 0.4943(3) 0.0237(9) Uani 1 1 d . . . . .
C15 C 0.1602(4) 0.0579(3) 0.4367(4) 0.0311(11) Uani 1 1 d . . . . .
H15 H 0.211176 0.030175 0.458682 0.037 Uiso 1 1 calc R U . . .
C16 C 0.1283(5) 0.0665(4) 0.3458(4) 0.0399(13) Uani 1 1 d . . . . .
H16 H 0.156917 0.044903 0.304911 0.048 Uiso 1 1 calc R U . . .
C17 C 0.0543(4) 0.1073(3) 0.3170(4) 0.0344(12) Uani 1 1 d . . . . .
H17 H 0.030241 0.113584 0.255280 0.041 Uiso 1 1 calc R U . . .
C18 C 0.0156(4) 0.1389(3) 0.3790(3) 0.0281(10) Uani 1 1 d . . . . .
H18 H -0.034618 0.167686 0.358812 0.034 Uiso 1 1 calc R U . . .
C19 C 0.2765(4) 0.5929(3) 0.8818(3) 0.0200(9) Uani 1 1 d . . . . .
C20 C 0.2543(4) 0.6340(3) 0.9521(3) 0.0303(11) Uani 1 1 d . . . . .
H20 H 0.194021 0.601390 0.964982 0.036 Uiso 1 1 calc R U . . .
C21 C 0.3200(4) 0.7223(3) 1.0033(3) 0.0341(12) Uani 1 1 d . . . . .
H21 H 0.305440 0.749457 1.052144 0.041 Uiso 1 1 calc R U . . .
C22 C 0.4061(4) 0.7712(3) 0.9842(3) 0.0327(11) Uani 1 1 d . . . . .
H22 H 0.449529 0.832533 1.018339 0.039 Uiso 1 1 calc R U . . .
C23 C 0.4292(4) 0.7302(3) 0.9145(3) 0.0295(11) Uani 1 1 d . . . . .
H23 H 0.489377 0.763481 0.901885 0.035 Uiso 1 1 calc R U . . .
C24 C 0.3656(4) 0.6416(3) 0.8633(3) 0.0234(9) Uani 1 1 d . . . . .
H24 H 0.382144 0.614014 0.816072 0.028 Uiso 1 1 calc R U . . .
C25 C 0.0764(4) 0.4438(3) 0.8411(3) 0.0193(9) Uani 1 1 d . . . . .
C26 C 0.0726(4) 0.3953(3) 0.9097(3) 0.0286(11) Uani 1 1 d . . . . .
H26 H 0.131612 0.379298 0.941180 0.034 Uiso 1 1 calc R U . . .
C27 C -0.0184(4) 0.3706(3) 0.9315(3) 0.0316(11) Uani 1 1 d . . . . .
H27 H -0.021509 0.337329 0.977705 0.038 Uiso 1 1 calc R U . . .
C28 C -0.1030(4) 0.3940(4) 0.8870(3) 0.0321(11) Uani 1 1 d . . . . .
H28 H -0.165586 0.374939 0.900721 0.039 Uiso 1 1 calc R U . . .
C29 C -0.0982(4) 0.4459(4) 0.8211(3) 0.0339(12) Uani 1 1 d . . . . .
H29 H -0.154894 0.466114 0.793554 0.041 Uiso 1 1 calc R U . . .
C30 C -0.0095(4) 0.4675(3) 0.7966(3) 0.0247(10) Uani 1 1 d . . . . .
H30 H -0.008012 0.498792 0.748748 0.030 Uiso 1 1 calc R U . . .
C31 C 0.2622(3) 0.5655(3) 0.5034(3) 0.0179(8) Uani 1 1 d . . . . .
C32 C 0.3365(4) 0.6334(3) 0.5827(3) 0.0238(9) Uani 1 1 d . . . . .
H32 H 0.348022 0.620945 0.641918 0.029 Uiso 1 1 calc R U . . .
C33 C 0.3923(4) 0.7175(3) 0.5740(3) 0.0293(11) Uani 1 1 d . . . . .
H33 H 0.443491 0.763124 0.627679 0.035 Uiso 1 1 calc R U . . .
C34 C 0.3753(4) 0.7373(3) 0.4883(3) 0.0235(10) Uani 1 1 d . . . . .
H34 H 0.413093 0.796701 0.483480 0.028 Uiso 1 1 calc R U . . .
C35 C 0.3043(4) 0.6714(3) 0.4111(3) 0.0261(10) Uani 1 1 d . . . . .
H35 H 0.294180 0.684508 0.352275 0.031 Uiso 1 1 calc R U . . .
C36 C 0.2463(4) 0.5847(3) 0.4175(3) 0.0272(10) Uani 1 1 d . . . . .
H36 H 0.196381 0.539179 0.363366 0.033 Uiso 1 1 calc R U . . .
C37 C 0.0730(3) 0.3948(3) 0.4144(3) 0.0188(8) Uani 1 1 d . . . . .
C38 C -0.0293(3) 0.3816(3) 0.4145(3) 0.0207(9) Uani 1 1 d . . . . .
H38 H -0.037290 0.404989 0.468967 0.025 Uiso 1 1 calc R U . . .
C39 C -0.1192(4) 0.3338(3) 0.3344(3) 0.0257(10) Uani 1 1 d . . . . .
H39 H -0.188563 0.324341 0.334554 0.031 Uiso 1 1 calc R U . . .
C40 C -0.1084(4) 0.2999(3) 0.2545(3) 0.0273(10) Uani 1 1 d . . . . .
H40 H -0.169963 0.267962 0.199953 0.033 Uiso 1 1 calc R U . . .
C41 C -0.0070(4) 0.3130(3) 0.2547(3) 0.0267(10) Uani 1 1 d . . . . .
H41 H 0.000665 0.289723 0.200069 0.032 Uiso 1 1 calc R U . . .
C42 C 0.0832(4) 0.3601(3) 0.3343(3) 0.0223(9) Uani 1 1 d . . . . .
H42 H 0.152248 0.368543 0.333915 0.027 Uiso 1 1 calc R U . . .
C43 C -0.1653(4) 0.1771(3) 0.4985(3) 0.0320(11) Uani 1 1 d . . . . .
H43A H -0.170091 0.199975 0.442692 0.048 Uiso 1 1 calc R U . . .
H43B H -0.235897 0.156759 0.502722 0.048 Uiso 1 1 calc R U . . .
H43C H -0.141037 0.125392 0.495989 0.048 Uiso 1 1 calc R U . . .
C44 C -0.0913(4) 0.2121(4) 0.6887(4) 0.0416(14) Uani 1 1 d . . . . .
H44A H -0.162630 0.204146 0.688525 0.062 Uiso 1 1 calc R U . . .
H44B H -0.036914 0.250098 0.748534 0.062 Uiso 1 1 calc R U . . .
H44C H -0.085155 0.151862 0.678124 0.062 Uiso 1 1 calc R U . . .
C45 C 0.5938(4) 0.4375(3) 0.8072(3) 0.0289(10) Uani 1 1 d . . . . .
C46 C 0.7206(5) 0.7785(4) 0.8081(4) 0.0466(15) Uani 1 1 d . . . . .
C47 C 0.6105(5) 1.0209(4) 0.6545(5) 0.0430(14) Uani 1 1 d . . . . .
C48 C 0.4376(5) 0.9302(3) 0.8126(4) 0.0384(13) Uani 1 1 d . . . . .
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'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 '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'
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 P2 164.28(4) . . ?
P1 Au1 Ag1 95.29(3) . . ?
P2 Au1 Ag1 82.52(3) . . ?
N3 Ag1 N1 74.08(11) . . ?
N3 Ag1 S1 150.26(9) . . ?
N1 Ag1 S1 134.78(8) . . ?
N3 Ag1 Au1 76.42(8) . . ?
N1 Ag1 Au1 131.43(9) . . ?
S1 Ag1 Au1 84.40(3) . . ?
C43 S1 C44 99.9(2) . . ?
C43 S1 Ag1 105.64(16) . . ?
C44 S1 Ag1 101.74(19) . . ?
O1 S2 O2 118.8(3) . . ?
O1 S2 N6 117.1(2) . . ?
O2 S2 N6 108.4(2) . . ?
O1 S2 C45 104.0(2) . . ?
O2 S2 C45 103.9(2) . . ?
N6 S2 C45 102.2(2) . . ?
O4 S3 O3 117.9(3) . . ?
O4 S3 N6 109.2(2) . . ?
O3 S3 N6 116.7(3) . . ?
O4 S3 C46 104.3(3) . . ?
O3 S3 C46 104.6(3) . . ?
N6 S3 C46 101.9(3) . . ?
O5 S4 O6 118.0(3) . . ?
O5 S4 N5 109.1(3) . . ?
O6 S4 N5 115.6(2) . . ?
O5 S4 C47 104.2(3) . . ?
O6 S4 C47 103.4(3) . . ?
N5 S4 C47 104.8(2) . . ?
O8 S5 O7 118.3(2) . . ?
O8 S5 N5 117.0(2) . . ?
O7 S5 N5 110.0(2) . . ?
O8 S5 C48 105.8(3) . . ?
O7 S5 C48 103.0(2) . . ?
N5 S5 C48 99.9(2) . . ?
C25 P1 C19 106.4(2) . . ?
C25 P1 C8 104.08(19) . . ?
C19 P1 C8 107.4(2) . . ?
C25 P1 Au1 118.79(15) . . ?
C19 P1 Au1 112.45(13) . . ?
C8 P1 Au1 106.86(13) . . ?
C37 P2 C31 108.53(19) . . ?
C37 P2 C13 104.52(19) . . ?
C31 P2 C13 106.04(18) . . ?
C37 P2 Au1 118.80(13) . . ?
C31 P2 Au1 112.50(14) . . ?
C13 P2 Au1 105.35(13) . . ?
C2 N1 C1 111.8(3) . . ?
C2 N1 C3 111.2(3) . . ?
C1 N1 C3 109.1(3) . . ?
C2 N1 Ag1 109.5(2) . . ?
C1 N1 Ag1 107.2(2) . . ?
C3 N1 Ag1 107.8(3) . . ?
C4 N2 C8 116.8(4) . . ?
C9 N3 C13 118.6(3) . . ?
C9 N3 Ag1 115.2(3) . . ?
C13 N3 Ag1 124.8(3) . . ?
C18 N4 C14 118.1(4) . . ?
S4 N5 S5 124.9(3) . . ?
S2 N6 S3 124.5(2) . . ?
N1 C1 C4 110.9(3) . . ?
N1 C2 C9 114.2(3) . . ?
N1 C3 C14 110.6(3) . . ?
N2 C4 C5 123.4(4) . . ?
N2 C4 C1 116.4(4) . . ?
C5 C4 C1 120.2(4) . . ?
C6 C5 C4 118.5(4) . . ?
C5 C6 C7 118.8(4) . . ?
C8 C7 C6 118.2(4) . . ?
N2 C8 C7 124.3(4) . . ?
N2 C8 P1 112.7(3) . . ?
C7 C8 P1 122.9(3) . . ?
N3 C9 C10 120.8(4) . . ?
N3 C9 C2 118.4(3) . . ?
C10 C9 C2 120.4(4) . . ?
C11 C10 C9 120.5(4) . . ?
C10 C11 C12 118.5(4) . . ?
C13 C12 C11 118.2(4) . . ?
N3 C13 C12 123.4(4) . . ?
N3 C13 P2 113.1(3) . . ?
C12 C13 P2 123.5(3) . . ?
N4 C14 C15 122.2(4) . . ?
N4 C14 C3 115.0(4) . . ?
C15 C14 C3 122.8(4) . . ?
C14 C15 C16 119.5(5) . . ?
C17 C16 C15 118.3(5) . . ?
C16 C17 C18 119.1(5) . . ?
N4 C18 C17 122.9(5) . . ?
C20 C19 C24 119.5(4) . . ?
C20 C19 P1 122.2(3) . . ?
C24 C19 P1 118.3(3) . . ?
C21 C20 C19 120.0(5) . . ?
C22 C21 C20 120.8(5) . . ?
C21 C22 C23 119.4(5) . . ?
C24 C23 C22 120.8(5) . . ?
C23 C24 C19 119.4(4) . . ?
C30 C25 C26 119.6(4) . . ?
C30 C25 P1 118.9(3) . . ?
C26 C25 P1 121.5(3) . . ?
C27 C26 C25 119.6(4) . . ?
C28 C27 C26 120.4(4) . . ?
C27 C28 C29 120.5(4) . . ?
C30 C29 C28 119.2(5) . . ?
C25 C30 C29 120.6(4) . . ?
C36 C31 C32 119.5(4) . . ?
C36 C31 P2 122.8(3) . . ?
C32 C31 P2 117.6(3) . . ?
C33 C32 C31 119.5(4) . . ?
C32 C33 C34 121.0(5) . . ?
C35 C34 C33 119.7(4) . . ?
C34 C35 C36 120.7(4) . . ?
C31 C36 C35 119.5(5) . . ?
C42 C37 C38 119.5(4) . . ?
C42 C37 P2 121.0(3) . . ?
C38 C37 P2 119.5(3) . . ?
C39 C38 C37 119.6(4) . . ?
C40 C39 C38 120.6(4) . . ?
C39 C40 C41 119.6(4) . . ?
C40 C41 C42 120.3(4) . . ?
C37 C42 C41 120.4(4) . . ?
F3 C45 F1 107.0(4) . . ?
F3 C45 F2 107.7(4) . . ?
F1 C45 F2 108.6(4) . . ?
F3 C45 S2 110.8(3) . . ?
F1 C45 S2 111.5(3) . . ?
F2 C45 S2 111.1(3) . . ?
F4 C46 F5 108.7(5) . . ?
F4 C46 F6 108.8(5) . . ?
F5 C46 F6 108.4(6) . . ?
F4 C46 S3 110.3(4) . . ?
F5 C46 S3 110.4(4) . . ?
F6 C46 S3 110.3(4) . . ?
F9 C47 F8 109.0(5) . . ?
F9 C47 F7 108.1(5) . . ?
F8 C47 F7 107.5(5) . . ?
F9 C47 S4 112.1(4) . . ?
F8 C47 S4 110.5(4) . . ?
F7 C47 S4 109.5(4) . . ?
F11 C48 F12 108.5(4) . . ?
F11 C48 F10 108.1(5) . . ?
F12 C48 F10 107.1(5) . . ?
F11 C48 S5 111.9(4) . . ?
F12 C48 S5 109.6(4) . . ?
F10 C48 S5 111.5(3) . . ?
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 2.3010(11) . ?
Au1 P2 2.3057(10) . ?
Au1 Ag1 2.8987(4) . ?
Ag1 N3 2.339(3) . ?
Ag1 N1 2.417(3) . ?
Ag1 S1 2.4478(12) . ?
S1 C43 1.802(5) . ?
S1 C44 1.811(5) . ?
S2 O1 1.425(4) . ?
S2 O2 1.434(4) . ?
S2 N6 1.577(4) . ?
S2 C45 1.836(5) . ?
S3 O4 1.410(4) . ?
S3 O3 1.419(4) . ?
S3 N6 1.579(4) . ?
S3 C46 1.832(6) . ?
S4 O5 1.420(4) . ?
S4 O6 1.420(4) . ?
S4 N5 1.558(4) . ?
S4 C47 1.837(6) . ?
S5 O8 1.425(4) . ?
S5 O7 1.430(4) . ?
S5 N5 1.577(4) . ?
S5 C48 1.817(5) . ?
P1 C25 1.801(4) . ?
P1 C19 1.809(5) . ?
P1 C8 1.825(4) . ?
P2 C37 1.809(5) . ?
P2 C31 1.818(4) . ?
P2 C13 1.827(4) . ?
F1 C45 1.322(6) . ?
F2 C45 1.324(6) . ?
F3 C45 1.320(5) . ?
F4 C46 1.311(7) . ?
F5 C46 1.317(7) . ?
F6 C46 1.324(7) . ?
F7 C47 1.343(6) . ?
F8 C47 1.327(7) . ?
F9 C47 1.312(7) . ?
F10 C48 1.340(6) . ?
F11 C48 1.305(6) . ?
F12 C48 1.325(6) . ?
N1 C2 1.473(5) . ?
N1 C1 1.483(5) . ?
N1 C3 1.483(6) . ?
N2 C4 1.333(5) . ?
N2 C8 1.346(5) . ?
N3 C9 1.339(5) . ?
N3 C13 1.356(5) . ?
N4 C18 1.340(6) . ?
N4 C14 1.346(6) . ?
C1 C4 1.510(6) . ?
C2 C9 1.517(6) . ?
C3 C14 1.500(6) . ?
C4 C5 1.395(6) . ?
C5 C6 1.387(7) . ?
C6 C7 1.392(6) . ?
C7 C8 1.374(6) . ?
C9 C10 1.396(5) . ?
C10 C11 1.376(6) . ?
C11 C12 1.399(6) . ?
C12 C13 1.371(5) . ?
C14 C15 1.377(6) . ?
C15 C16 1.394(7) . ?
C16 C17 1.378(7) . ?
C17 C18 1.384(6) . ?
C19 C20 1.392(6) . ?
C19 C24 1.402(6) . ?
C20 C21 1.384(7) . ?
C21 C22 1.374(7) . ?
C22 C23 1.392(7) . ?
C23 C24 1.381(6) . ?
C25 C30 1.382(6) . ?
C25 C26 1.401(6) . ?
C26 C27 1.396(6) . ?
C27 C28 1.363(7) . ?
C28 C29 1.400(7) . ?
C29 C30 1.390(6) . ?
C31 C36 1.385(6) . ?
C31 C32 1.402(6) . ?
C32 C33 1.366(6) . ?
C33 C34 1.385(6) . ?
C34 C35 1.361(7) . ?
C35 C36 1.395(6) . ?
C37 C42 1.389(6) . ?
C37 C38 1.403(6) . ?
C38 C39 1.393(6) . ?
C39 C40 1.385(7) . ?
C40 C41 1.389(7) . ?
C41 C42 1.389(6) . ?
