# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2024

####################################################################### 
# 
# 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_ES-1
_database_code_depnum_ccdc_archive 'CCDC 2351557'
loop_
_audit_author_name
_audit_author_address
'Ivan V. Bakaev'
;NIIC SB RAS
Russia
;
_audit_update_record             
;
2024-04-27 deposited with the CCDC.	2024-06-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H22 Au2 Cl2 N2 P2'
_chemical_formula_weight         913.25

# start Validation Reply Form
_vrf_PLAT971_ES-1                
;
PROBLEM: Check Calcd Resid. Dens.  0.88Ang From Au4             1.60 eA-3  
RESPONSE:
Au atoms were assigned correctly. 
Observed residual electron density Q-peaks and holes are 
located close to the Au atom and less then 10% 
of heavy atom electrons per \%A^3^ .
We think that ineffective absorption correction  
(it is common for gold compounds data) is
responsible for residual density on heavy atoms.
;
_vrf_PLAT972_ES-1                
;
PROBLEM: Check Calcd Resid. Dens.  0.62Ang From Au4            -2.12 eA-3  
RESPONSE: 
Au atoms were assigned correctly. 
Observed residual electron density Q-peaks and holes are 
located close to the Au atom and less then 10% 
of heavy atom electrons per \%A^3^ .
We think that ineffective absorption correction  
(it is common for gold compounds data) is
responsible for residual density on heavy atoms.
;
# end Validation Reply Form

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   9.2240(2)
_cell_length_b                   13.7796(3)
_cell_length_c                   21.7778(4)
_cell_angle_alpha                94.5480(10)
_cell_angle_beta                 91.6010(10)
_cell_angle_gamma                90.4710(10)
_cell_volume                     2758.08(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9920
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      30.50

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.199
_exptl_crystal_F_000             1704
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    10.957
_shelx_estimated_absorpt_T_min   0.218
_shelx_estimated_absorpt_T_max   0.290
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4215
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   
;
SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_details      
;
Data collection was performed by Aleksandr S. Sukhikh
 in XRD Facility of NIIC SB RAS.
;
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            51948
_diffrn_reflns_av_unetI/netI     0.0558
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.690
_diffrn_reflns_theta_max         30.523
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             16837
_reflns_number_gt                14870
_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       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'SAINT (Bruker-AXS, 2016)'
_computing_data_reduction        'SAINT (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'enCIFer (Allen et al., 2004)'
_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)+0.8746P] 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         16837
_refine_ls_number_parameters     750
_refine_ls_number_restraints     739
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0296
_refine_ls_wR_factor_ref         0.0725
_refine_ls_wR_factor_gt          0.0701
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.045
_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
Au4 Au -0.38264(2) -0.06421(2) 0.23574(2) 0.02375(3) Uani 1 1 d . . . . .
Cl4 Cl -0.61599(10) -0.02538(8) 0.21077(5) 0.0401(2) Uani 1 1 d . . . . .
P4 P -0.15618(9) -0.10995(6) 0.25522(4) 0.01990(16) Uani 1 1 d . . . . .
N3 N -0.0355(3) 0.0472(2) 0.21574(13) 0.0243(6) Uani 1 1 d . . . . .
N4 N 0.1428(3) 0.1553(2) 0.26546(13) 0.0247(6) Uani 1 1 d . . . . .
C35 C 0.1494(3) 0.0987(2) 0.31250(14) 0.0199(6) Uani 1 1 d . . . . .
C36 C 0.0622(3) 0.0171(2) 0.31467(14) 0.0202(6) Uani 1 1 d . . . . .
H36 H 0.065124 -0.021205 0.349088 0.024 Uiso 1 1 calc R U . . .
C37 C -0.0293(3) -0.0061(2) 0.26430(14) 0.0192(6) Uani 1 1 d . . . . .
C38 C 0.0503(4) 0.1257(2) 0.21953(16) 0.0262(7) Uani 1 1 d . . . . .
H38 H 0.045052 0.165043 0.185675 0.031 Uiso 1 1 calc R U . . .
C39 C 0.2775(4) 0.0519(2) 0.42954(15) 0.0230(6) Uani 1 1 d . . . . .
C40 C 0.1957(5) 0.0645(3) 0.48109(18) 0.0369(9) Uani 1 1 d . . . . .
H40 H 0.138001 0.120964 0.487565 0.044 Uiso 1 1 calc R U . . .
C41 C 0.1970(6) -0.0057(3) 0.5243(2) 0.0505(12) Uani 1 1 d . . . . .
H41 H 0.140621 0.003779 0.560060 0.061 Uiso 1 1 calc R U . . .
C42 C 0.2784(5) -0.0873(3) 0.51527(19) 0.0402(9) Uani 1 1 d . . . . .
H42 H 0.277970 -0.135094 0.544408 0.048 Uiso 1 1 calc R U . . .
C43 C 0.3607(5) -0.1001(3) 0.4641(2) 0.0484(11) Uani 1 1 d . . . . .
H43 H 0.417257 -0.157144 0.457641 0.058 Uiso 1 1 calc R U . . .
C44 C 0.3622(5) -0.0309(3) 0.4218(2) 0.0411(10) Uani 1 1 d . . . . .
H44 H 0.421824 -0.039828 0.386925 0.049 Uiso 1 1 calc R U . . .
C45 C -0.1342(4) -0.1779(2) 0.32240(15) 0.0252(7) Uani 1 1 d . . . . .
C46 C -0.0013(5) -0.2160(3) 0.33941(19) 0.0392(9) Uani 1 1 d . . . . .
H46 H 0.082712 -0.203792 0.316859 0.047 Uiso 1 1 calc R U . . .
C47 C 0.0078(6) -0.2721(4) 0.3896(2) 0.0562(13) Uani 1 1 d . . . . .
H47 H 0.098654 -0.297302 0.401889 0.067 Uiso 1 1 calc R U . . .
C48 C -0.1155(6) -0.2913(4) 0.4217(2) 0.0556(13) Uani 1 1 d . . . . .
H48 H -0.109247 -0.330969 0.455364 0.067 Uiso 1 1 calc R U . . .
C49 C -0.2450(5) -0.2537(4) 0.40524(19) 0.0477(11) Uani 1 1 d . . . . .
H49 H -0.328834 -0.266904 0.427676 0.057 Uiso 1 1 calc R U . . .
C50 C -0.2558(4) -0.1967(3) 0.35625(17) 0.0341(8) Uani 1 1 d . . . . .
H50 H -0.346697 -0.169941 0.345467 0.041 Uiso 1 1 calc R U . . .
C51 C -0.0781(4) -0.1831(2) 0.19138(15) 0.0229(6) Uani 1 1 d . . . . .
C52 C 0.0696(4) -0.1772(3) 0.18071(17) 0.0303(8) Uani 1 1 d . . . . .
H52 H 0.131173 -0.135592 0.206935 0.036 Uiso 1 1 calc R U . . .
C53 C 0.1259(5) -0.2331(3) 0.1312(2) 0.0432(10) Uani 1 1 d . . . . .
H53 H 0.226708 -0.229709 0.123652 0.052 Uiso 1 1 calc R U . . .
C54 C 0.0379(6) -0.2926(3) 0.09334(19) 0.0496(12) Uani 1 1 d . . . . .
H54 H 0.077637 -0.329587 0.059292 0.060 Uiso 1 1 calc R U . . .
C55 C -0.1085(6) -0.2997(3) 0.10399(18) 0.0447(10) Uani 1 1 d . . . . .
H55 H -0.169018 -0.341815 0.077625 0.054 Uiso 1 1 calc R U . . .
C56 C -0.1671(4) -0.2448(2) 0.15347(16) 0.0300(8) Uani 1 1 d . . . . .
H56 H -0.267655 -0.249656 0.161223 0.036 Uiso 1 1 calc R U . . .
Au1 Au 0.56872(2) 0.34961(2) -0.01129(2) 0.02606(4) Uani 1 1 d . . . . .
Cl1 Cl 0.45188(15) 0.43921(9) -0.08092(5) 0.0540(3) Uani 1 1 d . . . . .
P1 P 0.68785(9) 0.26514(6) 0.05626(4) 0.01962(16) Uani 1 1 d . . . . .
P2 P 0.66947(9) 0.44375(6) 0.30017(4) 0.01980(16) Uani 1 1 d . . . . .
N1 N 0.4807(3) 0.2450(2) 0.13895(13) 0.0254(6) Uani 1 1 d . . . . .
N2 N 0.4717(3) 0.3217(2) 0.24143(13) 0.0262(6) Uani 1 1 d . . . . .
C1 C 0.6886(4) 0.1348(2) 0.04151(15) 0.0237(6) Uani 1 1 d . . . . .
C2 C 0.6651(4) 0.0930(3) -0.01847(16) 0.0312(8) Uani 1 1 d . . . . .
H2 H 0.643061 0.133324 -0.050814 0.037 Uiso 1 1 calc R U . . .
C3 C 0.6737(5) -0.0061(3) -0.03114(19) 0.0429(10) Uani 1 1 d . . . . .
H3 H 0.657397 -0.034199 -0.072024 0.052 Uiso 1 1 calc R U . . .
C4 C 0.7065(6) -0.0651(3) 0.0165(2) 0.0494(12) Uani 1 1 d . . . . .
H4 H 0.712147 -0.133632 0.008148 0.059 Uiso 1 1 calc R U . . .
C5 C 0.7304(5) -0.0241(3) 0.0753(2) 0.0447(10) Uani 1 1 d . . . . .
H5 H 0.754480 -0.064613 0.107345 0.054 Uiso 1 1 calc R U . . .
C6 C 0.7202(4) 0.0750(3) 0.08881(17) 0.0316(8) Uani 1 1 d . . . . .
H6 H 0.734515 0.102429 0.129976 0.038 Uiso 1 1 calc R U . . .
C7 C 0.8771(3) 0.3044(2) 0.06682(14) 0.0205(6) Uani 1 1 d . . . . .
C8 C 0.9073(4) 0.4047(3) 0.06985(18) 0.0303(8) Uani 1 1 d . . . . .
H8 H 0.830549 0.449775 0.066870 0.036 Uiso 1 1 calc R U . . .
C9 C 1.0494(4) 0.4375(3) 0.0772(2) 0.0375(9) Uani 1 1 d . . . . .
H9 H 1.070325 0.505315 0.079736 0.045 Uiso 1 1 calc R U . . .
C10 C 1.1618(4) 0.3711(3) 0.08086(18) 0.0356(8) Uani 1 1 d . . . . .
H10 H 1.259331 0.393849 0.085616 0.043 Uiso 1 1 calc R U . . .
C11 C 1.1322(4) 0.2728(3) 0.07762(17) 0.0308(8) Uani 1 1 d . . . . .
H11 H 1.209085 0.227780 0.080493 0.037 Uiso 1 1 calc R U . . .
C12 C 0.9903(4) 0.2395(3) 0.07018(15) 0.0248(7) Uani 1 1 d . . . . .
H12 H 0.970448 0.171492 0.067364 0.030 Uiso 1 1 calc R U . . .
C13 C 0.6106(3) 0.2868(2) 0.13298(14) 0.0190(6) Uani 1 1 d . . . . .
C14 C 0.4201(4) 0.2636(3) 0.19352(17) 0.0294(7) Uani 1 1 d . . . . .
H14 H 0.330053 0.231989 0.198969 0.035 Uiso 1 1 calc R U . . .
C15 C 0.6009(3) 0.3628(2) 0.23421(14) 0.0194(6) Uani 1 1 d . . . . .
C16 C 0.6770(3) 0.3463(2) 0.17983(14) 0.0200(6) Uani 1 1 d . . . . .
H16 H 0.769946 0.374622 0.175258 0.024 Uiso 1 1 calc R U . . .
C17 C 0.5603(3) 0.5510(2) 0.29430(15) 0.0204(6) Uani 1 1 d . . . . .
C18 C 0.5463(3) 0.5951(2) 0.23894(16) 0.0244(7) Uani 1 1 d . . . . .
H18 H 0.594518 0.568167 0.203648 0.029 Uiso 1 1 calc R U . . .
C19 C 0.4636(4) 0.6771(3) 0.23489(18) 0.0293(7) Uani 1 1 d . . . . .
H19 H 0.454749 0.706265 0.196899 0.035 Uiso 1 1 calc R U . . .
C20 C 0.3934(4) 0.7171(3) 0.2861(2) 0.0353(9) Uani 1 1 d . . . . .
H20 H 0.337925 0.774535 0.283537 0.042 Uiso 1 1 calc R U . . .
C21 C 0.4042(4) 0.6734(3) 0.3407(2) 0.0394(9) Uani 1 1 d . . . . .
H21 H 0.353965 0.700016 0.375471 0.047 Uiso 1 1 calc R U . . .
C22 C 0.4877(4) 0.5908(3) 0.34547(17) 0.0283(7) Uani 1 1 d . . . . .
H22 H 0.495257 0.561542 0.383466 0.034 Uiso 1 1 calc R U . . .
C23 C 0.8528(3) 0.4697(2) 0.27833(17) 0.0243(7) Uani 1 1 d . . . . .
C24 C 0.9519(4) 0.3932(3) 0.27926(18) 0.0295(7) Uani 1 1 d . . . . .
H24 H 0.922148 0.332083 0.292174 0.035 Uiso 1 1 calc R U . . .
C25 C 1.0930(4) 0.4065(3) 0.26144(19) 0.0337(8) Uani 1 1 d . . . . .
H25 H 1.159497 0.354236 0.261570 0.040 Uiso 1 1 calc R U . . .
C26 C 1.1374(4) 0.4957(3) 0.2434(2) 0.0351(9) Uani 1 1 d . . . . .
H26 H 1.234140 0.504566 0.230927 0.042 Uiso 1 1 calc R U . . .
C27 C 1.0408(4) 0.5720(3) 0.2437(2) 0.0397(10) Uani 1 1 d . . . . .
H27 H 1.071896 0.633478 0.231658 0.048 Uiso 1 1 calc R U . . .
C28 C 0.8992(4) 0.5596(3) 0.2613(2) 0.0334(9) Uani 1 1 d . . . . .
H28 H 0.833742 0.612484 0.261675 0.040 Uiso 1 1 calc R U . . .
C29 C 0.0363(7) 0.2517(5) 0.4212(3) 0.0286(16) Uani 0.497(4) 1 d D U P A 1
H29 H -0.015739 0.191754 0.420030 0.034 Uiso 0.497(4) 1 calc R U P A 1
C30 C 0.1802(8) 0.2532(5) 0.4026(3) 0.0169(13) Uani 0.497(4) 1 d D U P A 1
C31 C 0.2533(7) 0.3414(5) 0.4021(3) 0.0293(16) Uani 0.497(4) 1 d D U P A 1
H31 H 0.350045 0.343698 0.388408 0.035 Uiso 0.497(4) 1 calc R U P A 1
C32 C 0.1833(10) 0.4261(6) 0.4221(5) 0.043(2) Uani 0.497(4) 1 d D U P A 1
H32 H 0.232821 0.486823 0.421873 0.052 Uiso 0.497(4) 1 calc R U P A 1
C33 C 0.0447(9) 0.4241(6) 0.4419(4) 0.0393(19) Uani 0.497(4) 1 d D U P A 1
H33 H -0.000685 0.482944 0.456133 0.047 Uiso 0.497(4) 1 calc R U P A 1
C34 C -0.0297(7) 0.3372(5) 0.4413(3) 0.0314(16) Uani 0.497(4) 1 d D U P A 1
H34 H -0.126665 0.336118 0.454821 0.038 Uiso 0.497(4) 1 calc R U P A 1
Cl3A Cl 0.7335(11) 0.1655(10) 0.3150(6) 0.0315(10) Uani 0.497(4) 1 d . . P A 1
Au3A Au 0.49306(16) 0.16055(9) 0.33981(5) 0.01876(13) Uani 0.497(4) 1 d . . P A
1
P3A P 0.2696(7) 0.1441(8) 0.3728(5) 0.0179(10) Uani 0.497(4) 1 d . . P A 1
C29B C 0.2464(7) 0.2540(5) 0.4062(3) 0.0168(13) Uani 0.503(4) 1 d D U P A 2
C30B C 0.1100(7) 0.2929(5) 0.3991(3) 0.0253(14) Uani 0.503(4) 1 d D U P A 2
H30B H 0.033535 0.254196 0.379666 0.030 Uiso 0.503(4) 1 calc R U P A 2
C31B C 0.0847(8) 0.3891(5) 0.4205(3) 0.0290(15) Uani 0.503(4) 1 d D U P A 2
H31B H -0.008943 0.415849 0.415195 0.035 Uiso 0.503(4) 1 calc R U P A 2
C32B C 0.3554(6) 0.3102(4) 0.4377(3) 0.0226(13) Uani 0.503(4) 1 d D U P A 2
H32B H 0.448465 0.283224 0.444451 0.027 Uiso 0.503(4) 1 calc R U P A 2
C33B C 0.3277(7) 0.4052(5) 0.4592(3) 0.0263(14) Uani 0.503(4) 1 d D U P A 2
H33B H 0.401762 0.443060 0.481067 0.032 Uiso 0.503(4) 1 calc R U P A 2
C34B C 0.1938(8) 0.4454(6) 0.4493(4) 0.0277(17) Uani 0.503(4) 1 d D U P A 2
H34B H 0.177033 0.511728 0.462219 0.033 Uiso 0.503(4) 1 calc R U P A 2
Cl3B Cl 0.7568(11) 0.1671(9) 0.3058(6) 0.0345(13) Uani 0.503(4) 1 d . . P A 2
Au3B Au 0.52455(16) 0.14643(10) 0.33589(6) 0.01991(14) Uani 0.503(4) 1 d . . P
A 2
P3B P 0.3005(7) 0.1357(7) 0.3722(5) 0.0156(9) Uani 0.503(4) 1 d . . P A 2
Au2A Au 0.68675(11) 0.38631(2) 0.38965(2) 0.01785(11) Uani 0.511(2) 1 d . . P B
3
Cl2A Cl 0.71701(19) 0.34475(12) 0.48933(7) 0.0286(4) Uani 0.511(2) 1 d . . P B
3
Au2B Au 0.62648(12) 0.38220(3) 0.39351(2) 0.01831(12) Uani 0.489(2) 1 d . . P B
4
Cl2B Cl 0.5847(2) 0.33686(13) 0.49108(8) 0.0280(4) Uani 0.489(2) 1 d . . P B 4


_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
Au4 P4 2.2260(9) . ?
Au4 Cl4 2.2835(9) . ?
P4 C45 1.806(4) . ?
P4 C51 1.820(3) . ?
P4 C37 1.836(3) . ?
N3 C38 1.330(4) . ?
N3 C37 1.335(4) . ?
N4 C38 1.333(4) . ?
N4 C35 1.336(4) . ?
C35 C36 1.382(4) . ?
C35 P3A 1.766(11) . ?
C35 P3B 1.917(10) . ?
C36 C37 1.381(4) . ?
C39 C40 1.370(5) . ?
C39 C44 1.391(5) . ?
C39 P3B 1.782(12) . ?
C39 P3A 1.842(12) . ?
C40 C41 1.401(6) . ?
C41 C42 1.362(6) . ?
C42 C43 1.367(6) . ?
C43 C44 1.379(6) . ?
C45 C46 1.390(5) . ?
C45 C50 1.393(5) . ?
C46 C47 1.388(5) . ?
C47 C48 1.386(7) . ?
C48 C49 1.356(7) . ?
C49 C50 1.376(5) . ?
C51 C56 1.385(5) . ?
C51 C52 1.392(5) . ?
C52 C53 1.390(5) . ?
C53 C54 1.362(7) . ?
C54 C55 1.381(7) . ?
C55 C56 1.391(5) . ?
Au1 P1 2.2200(8) . ?
Au1 Cl1 2.2831(10) . ?
P1 C1 1.800(3) . ?
P1 C7 1.826(3) . ?
P1 C13 1.838(3) . ?
P2 C17 1.807(3) . ?
P2 C23 1.810(3) . ?
P2 C15 1.841(3) . ?
P2 Au2A 2.1629(9) . ?
P2 Au2B 2.3068(10) . ?
N1 C14 1.335(4) . ?
N1 C13 1.340(4) . ?
N2 C15 1.334(4) . ?
N2 C14 1.338(4) . ?
C1 C6 1.395(5) . ?
C1 C2 1.396(5) . ?
C2 C3 1.374(5) . ?
C3 C4 1.396(6) . ?
C4 C5 1.369(6) . ?
C5 C6 1.379(5) . ?
C7 C12 1.385(4) . ?
C7 C8 1.403(5) . ?
C8 C9 1.384(5) . ?
C9 C10 1.393(5) . ?
C10 C11 1.376(6) . ?
C11 C12 1.384(5) . ?
C13 C16 1.383(4) . ?
C15 C16 1.398(4) . ?
C17 C22 1.393(5) . ?
C17 C18 1.396(4) . ?
C18 C19 1.375(5) . ?
C19 C20 1.384(5) . ?
C20 C21 1.377(6) . ?
C21 C22 1.388(5) . ?
C23 C28 1.388(5) . ?
C23 C24 1.402(4) . ?
C24 C25 1.383(5) . ?
C25 C26 1.381(5) . ?
C26 C27 1.384(5) . ?
C27 C28 1.385(5) . ?
C29 C34 1.377(8) . ?
C29 C30 1.399(8) . ?
C30 C31 1.387(8) . ?
C30 P3A 1.804(11) . ?
C31 C32 1.384(9) . ?
C32 C33 1.361(10) . ?
C33 C34 1.375(9) . ?
Cl3A Au3A 2.299(8) . ?
Au3A P3A 2.217(8) . ?
C29B C30B 1.382(8) . ?
C29B C32B 1.395(8) . ?
C29B P3B 1.816(12) . ?
C30B C31B 1.393(8) . ?
C31B C34B 1.372(9) . ?
C32B C33B 1.384(8) . ?
C33B C34B 1.376(9) . ?
Cl3B Au3B 2.280(8) . ?
Au3B P3B 2.241(8) . ?
Au2A Cl2A 2.2987(16) . ?
Au2B Cl2B 2.3035(16) . ?

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 Au4 Cl4 176.25(3) . . ?
C45 P4 C51 106.70(15) . . ?
C45 P4 C37 107.68(16) . . ?
C51 P4 C37 101.37(15) . . ?
C45 P4 Au4 114.52(12) . . ?
C51 P4 Au4 113.37(12) . . ?
C37 P4 Au4 112.19(10) . . ?
C38 N3 C37 115.6(3) . . ?
C38 N4 C35 115.5(3) . . ?
N4 C35 C36 122.4(3) . . ?
N4 C35 P3A 113.2(5) . . ?
C36 C35 P3A 124.3(5) . . ?
N4 C35 P3B 113.6(4) . . ?
C36 C35 P3B 123.8(4) . . ?
C37 C36 C35 116.7(3) . . ?
N3 C37 C36 122.5(3) . . ?
N3 C37 P4 111.9(2) . . ?
C36 C37 P4 125.7(2) . . ?
N3 C38 N4 127.4(3) . . ?
C40 C39 C44 118.5(3) . . ?
C40 C39 P3B 127.2(4) . . ?
C44 C39 P3B 114.2(4) . . ?
C40 C39 P3A 119.0(4) . . ?
C44 C39 P3A 122.4(4) . . ?
C39 C40 C41 120.2(4) . . ?
C42 C41 C40 120.5(4) . . ?
C41 C42 C43 119.6(4) . . ?
C42 C43 C44 120.5(4) . . ?
C43 C44 C39 120.7(4) . . ?
C46 C45 C50 119.2(3) . . ?
C46 C45 P4 122.0(3) . . ?
C50 C45 P4 118.8(3) . . ?
C47 C46 C45 119.5(4) . . ?
C48 C47 C46 120.1(4) . . ?
C49 C48 C47 120.3(4) . . ?
C48 C49 C50 120.4(4) . . ?
C49 C50 C45 120.4(4) . . ?
C56 C51 C52 120.2(3) . . ?
C56 C51 P4 119.4(3) . . ?
C52 C51 P4 120.4(3) . . ?
C53 C52 C51 119.1(4) . . ?
C54 C53 C52 120.6(4) . . ?
C53 C54 C55 120.6(4) . . ?
C54 C55 C56 119.7(4) . . ?
C51 C56 C55 119.7(4) . . ?
P1 Au1 Cl1 178.38(4) . . ?
C1 P1 C7 106.72(15) . . ?
C1 P1 C13 104.88(15) . . ?
C7 P1 C13 104.72(14) . . ?
C1 P1 Au1 117.29(11) . . ?
C7 P1 Au1 111.99(11) . . ?
C13 P1 Au1 110.29(10) . . ?
C17 P2 C23 109.28(15) . . ?
C17 P2 C15 102.41(15) . . ?
C23 P2 C15 102.29(15) . . ?
C17 P2 Au2A 116.93(11) . . ?
C23 P2 Au2A 106.39(12) . . ?
C15 P2 Au2A 118.45(10) . . ?
C17 P2 Au2B 108.29(11) . . ?
C23 P2 Au2B 120.49(12) . . ?
C15 P2 Au2B 112.54(10) . . ?
C14 N1 C13 115.5(3) . . ?
C15 N2 C14 115.8(3) . . ?
C6 C1 C2 119.4(3) . . ?
C6 C1 P1 120.7(3) . . ?
C2 C1 P1 119.8(3) . . ?
C3 C2 C1 120.5(4) . . ?
C2 C3 C4 119.5(4) . . ?
C5 C4 C3 120.0(4) . . ?
C4 C5 C6 121.1(4) . . ?
C5 C6 C1 119.5(4) . . ?
C12 C7 C8 119.5(3) . . ?
C12 C7 P1 122.7(3) . . ?
C8 C7 P1 117.8(3) . . ?
C9 C8 C7 119.6(3) . . ?
C8 C9 C10 120.1(4) . . ?
C11 C10 C9 120.2(3) . . ?
C10 C11 C12 120.0(3) . . ?
C11 C12 C7 120.6(3) . . ?
N1 C13 C16 122.4(3) . . ?
N1 C13 P1 114.7(2) . . ?
C16 C13 P1 122.7(2) . . ?
N1 C14 N2 127.5(3) . . ?
N2 C15 C16 121.9(3) . . ?
N2 C15 P2 115.3(2) . . ?
C16 C15 P2 122.8(2) . . ?
C13 C16 C15 116.8(3) . . ?
C22 C17 C18 118.9(3) . . ?
C22 C17 P2 120.0(3) . . ?
C18 C17 P2 121.1(2) . . ?
C19 C18 C17 120.8(3) . . ?
C18 C19 C20 120.1(3) . . ?
C21 C20 C19 119.7(3) . . ?
C20 C21 C22 120.8(4) . . ?
C21 C22 C17 119.7(3) . . ?
C28 C23 C24 119.2(3) . . ?
C28 C23 P2 124.0(3) . . ?
C24 C23 P2 116.8(3) . . ?
C25 C24 C23 120.2(3) . . ?
C26 C25 C24 120.1(3) . . ?
C25 C26 C27 119.9(3) . . ?
C26 C27 C28 120.5(3) . . ?
C27 C28 C23 120.0(3) . . ?
C34 C29 C30 119.9(6) . . ?
C31 C30 C29 119.6(6) . . ?
C31 C30 P3A 118.4(6) . . ?
C29 C30 P3A 121.8(6) . . ?
C32 C31 C30 119.0(7) . . ?
C33 C32 C31 121.2(8) . . ?
C32 C33 C34 120.2(7) . . ?
C33 C34 C29 120.0(6) . . ?
P3A Au3A Cl3A 172.9(5) . . ?
C35 P3A C30 102.5(4) . . ?
C35 P3A C39 107.0(6) . . ?
C30 P3A C39 111.7(6) . . ?
C35 P3A Au3A 111.4(5) . . ?
C30 P3A Au3A 117.2(6) . . ?
C39 P3A Au3A 106.6(3) . . ?
C30B C29B C32B 119.3(6) . . ?
C30B C29B P3B 124.5(6) . . ?
C32B C29B P3B 116.1(5) . . ?
C29B C30B C31B 119.9(6) . . ?
C34B C31B C30B 120.6(7) . . ?
C33B C32B C29B 119.8(6) . . ?
C34B C33B C32B 120.7(6) . . ?
C31B C34B C33B 119.5(7) . . ?
P3B Au3B Cl3B 175.1(4) . . ?
C39 P3B C29B 106.6(6) . . ?
C39 P3B C35 103.2(5) . . ?
C29B P3B C35 104.5(4) . . ?
C39 P3B Au3B 115.8(3) . . ?
C29B P3B Au3B 109.6(5) . . ?
C35 P3B Au3B 116.1(5) . . ?
P2 Au2A Cl2A 172.57(5) . . ?
Cl2B Au2B P2 174.16(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
C38 N4 C35 C36 -2.5(5) . . . . ?
C38 N4 C35 P3A -178.1(4) . . . . ?
C38 N4 C35 P3B 172.7(3) . . . . ?
N4 C35 C36 C37 2.5(5) . . . . ?
P3A C35 C36 C37 177.7(4) . . . . ?
P3B C35 C36 C37 -172.2(4) . . . . ?
C38 N3 C37 C36 -1.4(5) . . . . ?
C38 N3 C37 P4 178.1(2) . . . . ?
C35 C36 C37 N3 -0.4(5) . . . . ?
C35 C36 C37 P4 -179.9(2) . . . . ?
C45 P4 C37 N3 178.4(2) . . . . ?
C51 P4 C37 N3 66.6(3) . . . . ?
Au4 P4 C37 N3 -54.7(2) . . . . ?
C45 P4 C37 C36 -2.1(3) . . . . ?
C51 P4 C37 C36 -113.9(3) . . . . ?
Au4 P4 C37 C36 124.8(3) . . . . ?
C37 N3 C38 N4 1.5(5) . . . . ?
C35 N4 C38 N3 0.4(5) . . . . ?
C44 C39 C40 C41 -0.8(6) . . . . ?
P3B C39 C40 C41 -175.4(5) . . . . ?
P3A C39 C40 C41 178.4(5) . . . . ?
C39 C40 C41 C42 -0.5(7) . . . . ?
C40 C41 C42 C43 0.8(7) . . . . ?
C41 C42 C43 C44 0.3(7) . . . . ?
C42 C43 C44 C39 -1.6(7) . . . . ?
C40 C39 C44 C43 1.8(6) . . . . ?
P3B C39 C44 C43 177.1(5) . . . . ?
P3A C39 C44 C43 -177.4(5) . . . . ?
C51 P4 C45 C46 50.5(4) . . . . ?
C37 P4 C45 C46 -57.6(4) . . . . ?
Au4 P4 C45 C46 176.8(3) . . . . ?
C51 P4 C45 C50 -126.2(3) . . . . ?
C37 P4 C45 C50 125.6(3) . . . . ?
Au4 P4 C45 C50 0.1(3) . . . . ?
C50 C45 C46 C47 0.1(7) . . . . ?
P4 C45 C46 C47 -176.6(4) . . . . ?
C45 C46 C47 C48 1.2(8) . . . . ?
C46 C47 C48 C49 -1.5(8) . . . . ?
C47 C48 C49 C50 0.4(8) . . . . ?
C48 C49 C50 C45 0.9(7) . . . . ?
C46 C45 C50 C49 -1.2(6) . . . . ?
P4 C45 C50 C49 175.6(3) . . . . ?
C45 P4 C51 C56 94.2(3) . . . . ?
C37 P4 C51 C56 -153.2(3) . . . . ?
Au4 P4 C51 C56 -32.7(3) . . . . ?
C45 P4 C51 C52 -85.7(3) . . . . ?
C37 P4 C51 C52 26.9(3) . . . . ?
Au4 P4 C51 C52 147.3(2) . . . . ?
C56 C51 C52 C53 0.8(5) . . . . ?
P4 C51 C52 C53 -179.2(3) . . . . ?
C51 C52 C53 C54 0.2(6) . . . . ?
C52 C53 C54 C55 -1.0(7) . . . . ?
C53 C54 C55 C56 0.6(6) . . . . ?
C52 C51 C56 C55 -1.1(5) . . . . ?
P4 C51 C56 C55 178.9(3) . . . . ?
C54 C55 C56 C51 0.4(6) . . . . ?
C7 P1 C1 C6 73.3(3) . . . . ?
C13 P1 C1 C6 -37.5(3) . . . . ?
Au1 P1 C1 C6 -160.2(3) . . . . ?
C7 P1 C1 C2 -103.2(3) . . . . ?
C13 P1 C1 C2 146.0(3) . . . . ?
Au1 P1 C1 C2 23.3(3) . . . . ?
C6 C1 C2 C3 -0.3(6) . . . . ?
P1 C1 C2 C3 176.2(3) . . . . ?
C1 C2 C3 C4 -0.1(7) . . . . ?
C2 C3 C4 C5 -0.3(7) . . . . ?
C3 C4 C5 C6 1.2(8) . . . . ?
C4 C5 C6 C1 -1.7(7) . . . . ?
C2 C1 C6 C5 1.2(6) . . . . ?
P1 C1 C6 C5 -175.3(3) . . . . ?
C1 P1 C7 C12 -7.5(3) . . . . ?
C13 P1 C7 C12 103.3(3) . . . . ?
Au1 P1 C7 C12 -137.2(2) . . . . ?
C1 P1 C7 C8 170.7(3) . . . . ?
C13 P1 C7 C8 -78.5(3) . . . . ?
Au1 P1 C7 C8 41.0(3) . . . . ?
C12 C7 C8 C9 -1.1(5) . . . . ?
P1 C7 C8 C9 -179.3(3) . . . . ?
C7 C8 C9 C10 0.7(6) . . . . ?
C8 C9 C10 C11 -0.4(6) . . . . ?
C9 C10 C11 C12 0.5(6) . . . . ?
C10 C11 C12 C7 -0.9(5) . . . . ?
C8 C7 C12 C11 1.2(5) . . . . ?
P1 C7 C12 C11 179.4(3) . . . . ?
C14 N1 C13 C16 -0.8(5) . . . . ?
C14 N1 C13 P1 -177.1(3) . . . . ?
C1 P1 C13 N1 -54.8(3) . . . . ?
C7 P1 C13 N1 -167.0(2) . . . . ?
Au1 P1 C13 N1 72.4(2) . . . . ?
C1 P1 C13 C16 128.9(3) . . . . ?
C7 P1 C13 C16 16.7(3) . . . . ?
Au1 P1 C13 C16 -104.0(3) . . . . ?
C13 N1 C14 N2 2.8(6) . . . . ?
C15 N2 C14 N1 -2.5(6) . . . . ?
C14 N2 C15 C16 0.2(5) . . . . ?
C14 N2 C15 P2 179.3(3) . . . . ?
C17 P2 C15 N2 -75.0(3) . . . . ?
C23 P2 C15 N2 171.8(2) . . . . ?
Au2A P2 C15 N2 55.3(3) . . . . ?
Au2B P2 C15 N2 41.0(3) . . . . ?
C17 P2 C15 C16 104.0(3) . . . . ?
C23 P2 C15 C16 -9.2(3) . . . . ?
Au2A P2 C15 C16 -125.7(2) . . . . ?
Au2B P2 C15 C16 -139.9(2) . . . . ?
N1 C13 C16 C15 -1.1(5) . . . . ?
P1 C13 C16 C15 174.9(2) . . . . ?
N2 C15 C16 C13 1.4(5) . . . . ?
P2 C15 C16 C13 -177.6(2) . . . . ?
C23 P2 C17 C22 -123.2(3) . . . . ?
C15 P2 C17 C22 128.9(3) . . . . ?
Au2A P2 C17 C22 -2.3(3) . . . . ?
Au2B P2 C17 C22 9.8(3) . . . . ?
C23 P2 C17 C18 57.2(3) . . . . ?
C15 P2 C17 C18 -50.8(3) . . . . ?
Au2A P2 C17 C18 178.0(2) . . . . ?
Au2B P2 C17 C18 -169.9(2) . . . . ?
C22 C17 C18 C19 0.7(5) . . . . ?
P2 C17 C18 C19 -179.7(3) . . . . ?
C17 C18 C19 C20 0.2(5) . . . . ?
C18 C19 C20 C21 -1.3(6) . . . . ?
C19 C20 C21 C22 1.6(6) . . . . ?
C20 C21 C22 C17 -0.6(6) . . . . ?
C18 C17 C22 C21 -0.5(5) . . . . ?
P2 C17 C22 C21 179.9(3) . . . . ?
C17 P2 C23 C28 1.3(4) . . . . ?
C15 P2 C23 C28 109.3(3) . . . . ?
Au2A P2 C23 C28 -125.8(3) . . . . ?
Au2B P2 C23 C28 -125.0(3) . . . . ?
C17 P2 C23 C24 -178.9(3) . . . . ?
C15 P2 C23 C24 -70.9(3) . . . . ?
Au2A P2 C23 C24 54.0(3) . . . . ?
Au2B P2 C23 C24 54.8(3) . . . . ?
C28 C23 C24 C25 -2.1(6) . . . . ?
P2 C23 C24 C25 178.1(3) . . . . ?
C23 C24 C25 C26 0.9(6) . . . . ?
C24 C25 C26 C27 0.5(6) . . . . ?
C25 C26 C27 C28 -0.6(7) . . . . ?
C26 C27 C28 C23 -0.6(7) . . . . ?
C24 C23 C28 C27 1.9(6) . . . . ?
P2 C23 C28 C27 -178.3(3) . . . . ?
C34 C29 C30 C31 -2.6(11) . . . . ?
C34 C29 C30 P3A -177.3(7) . . . . ?
C29 C30 C31 C32 1.9(10) . . . . ?
P3A C30 C31 C32 176.9(8) . . . . ?
C30 C31 C32 C33 0.0(12) . . . . ?
C31 C32 C33 C34 -1.3(14) . . . . ?
C32 C33 C34 C29 0.6(13) . . . . ?
C30 C29 C34 C33 1.3(11) . . . . ?
N4 C35 P3A C30 67.5(6) . . . . ?
C36 C35 P3A C30 -108.0(6) . . . . ?
N4 C35 P3A C39 -174.8(3) . . . . ?
C36 C35 P3A C39 9.6(6) . . . . ?
N4 C35 P3A Au3A -58.7(5) . . . . ?
C36 C35 P3A Au3A 125.8(5) . . . . ?
C31 C30 P3A C35 -120.9(7) . . . . ?
C29 C30 P3A C35 53.9(9) . . . . ?
C31 C30 P3A C39 124.9(6) . . . . ?
C29 C30 P3A C39 -60.3(9) . . . . ?
C31 C30 P3A Au3A 1.4(9) . . . . ?
C29 C30 P3A Au3A 176.3(6) . . . . ?
C40 C39 P3A C35 -99.2(5) . . . . ?
C44 C39 P3A C35 80.0(5) . . . . ?
C40 C39 P3A C30 12.2(7) . . . . ?
C44 C39 P3A C30 -168.6(4) . . . . ?
C40 C39 P3A Au3A 141.5(4) . . . . ?
C44 C39 P3A Au3A -39.3(7) . . . . ?
C32B C29B C30B C31B 3.4(9) . . . . ?
P3B C29B C30B C31B -171.9(7) . . . . ?
C29B C30B C31B C34B -0.7(10) . . . . ?
C30B C29B C32B C33B -2.7(9) . . . . ?
P3B C29B C32B C33B 172.9(6) . . . . ?
C29B C32B C33B C34B -0.7(10) . . . . ?
C30B C31B C34B C33B -2.7(11) . . . . ?
C32B C33B C34B C31B 3.4(11) . . . . ?
C40 C39 P3B C29B 18.3(7) . . . . ?
C44 C39 P3B C29B -156.6(4) . . . . ?
C40 C39 P3B C35 -91.5(6) . . . . ?
C44 C39 P3B C35 93.7(4) . . . . ?
C40 C39 P3B Au3B 140.4(4) . . . . ?
C44 C39 P3B Au3B -34.4(7) . . . . ?
C30B C29B P3B C39 -95.4(7) . . . . ?
C32B C29B P3B C39 89.2(6) . . . . ?
C30B C29B P3B C35 13.5(9) . . . . ?
C32B C29B P3B C35 -161.9(5) . . . . ?
C30B C29B P3B Au3B 138.6(5) . . . . ?
C32B C29B P3B Au3B -36.8(8) . . . . ?

_refine_diff_density_max         1.584
_refine_diff_density_min         -2.154
_refine_diff_density_rms         0.142



_exptl_crystal_recrystallization_method 
'slow diffusion of diethyl ether into a solution of complexes in dichloromethane'
_chemical_properties_physical    Light-sensitive,Photo-sensitive
####################################################################### 
# 
# 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_ES-5
_database_code_depnum_ccdc_archive 'CCDC 2351558'
loop_
_audit_author_name
_audit_author_address
'Ivan V. Bakaev'
;NIIC SB RAS
Russia
;
_audit_update_record             
;
2024-06-03 deposited with the CCDC.	2024-06-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C30 H38 Au2 B10 Cl2 P2),1.8(C H2 Cl2)'
_chemical_formula_sum            'C61.8 H79.6 Au4 B20 Cl7.6 P4'
_chemical_formula_weight         2219.91

# start Validation Reply Form
_vrf_PLAT971_ES-5                
;
PROBLEM: Check Calcd Resid. Dens.  0.73Ang From Au2             3.43 eA-3  
RESPONSE: 
Au atoms were assigned correctly. 
Observed residual electron density Q-peaks and holes are 
located close to the Au atom and less then 10% 
of heavy atom electrons per \%A^3^ .
We think that ineffective absorption correction  
(it is common for gold compounds data) is
responsible for residual density on heavy atoms.
;
_vrf_PLAT971_ES-5_2              
;
PROBLEM: Check Calcd Resid. Dens.  0.79Ang From Au1             2.16 eA-3
RESPONSE: Au atoms were assigned correctly. 
Observed residual electron density Q-peaks and holes are 
located close to the Au atom and less then 10% 
of heavy atom electrons per \%A^3^ .
We think that ineffective absorption correction  
(it is common for gold compounds data) is
responsible for residual density on heavy atoms.
;
_vrf_PLAT972_ES-5                
;
PROBLEM: Check Calcd Resid. Dens.  0.73Ang From Au1            -1.76 eA-3  
RESPONSE:
Au atoms were assigned correctly. 
Observed residual electron density Q-peaks and holes are 
located close to the Au atom and less then 10% 
of heavy atom electrons per \%A^3^ .
We think that ineffective absorption correction  
(it is common for gold compounds data) is
responsible for residual density on heavy atoms.
;
# end Validation Reply Form

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'
B B 0.0013 0.0007 '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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   32.1688(10)
_cell_length_b                   13.7076(4)
_cell_length_c                   18.0035(6)
_cell_angle_alpha                90
_cell_angle_beta                 102.1820(10)
_cell_angle_gamma                90
_cell_volume                     7760.0(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9184
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      29.61

_exptl_crystal_description       'square plate'
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.900
_exptl_crystal_F_000             4088
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    7.865
_shelx_estimated_absorpt_T_min   0.302
_shelx_estimated_absorpt_T_max   0.572
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_correction_T_min  0.4785
_exptl_absorpt_correction_T_max  0.7459

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'Incoatec HELIOS multilayer mirrors'
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_details      
;
Data collection was performed by Aleksandr S. Sukhikh in XRD Facility of NIIC SB RAS.
;
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            48239
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.910
_diffrn_reflns_theta_max         29.612
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             10914
_reflns_number_gt                8991
_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       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'SAINT (Bruker-AXS, 2016)'
_computing_data_reduction        'SAINT (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'enCIFer (Allen et al., 2004)'
_refine_special_details          
;For ES-5 only one position of solvent molecule (CH2Cl2) was refined clearly.
Another solvent molecule was highly disordered and it was difficult to model
its position reliably.
Therefore, the structure was treated via the PLATON/SQUEEZE procedure
(Spek, A.L., Acta Crystallogr., Sect. C: Struct. Chem., 71 (2015) 9-18)
to remove the contribution of the electron density in the solvent
regions from the intensity data.
This gave 34e in 106 Å3 per formula unit which can be assigned
as 0.8 CH2Cl2 molecules per formula unit.

Information about the cavities found and their contents:

loop_
  _platon_squeeze_void_nr
  _platon_squeeze_void_average_x
  _platon_squeeze_void_average_y
  _platon_squeeze_void_average_z
  _platon_squeeze_void_volume
  _platon_squeeze_void_count_electrons
  _platon_squeeze_void_content
   1  0.250  0.250  0.500       106        34 '0.8 CH2Cl2'
   2  0.250  0.750  0.000       106        34 '0.8 CH2Cl2'
   3  0.750  0.250  0.000       106        34 '0.8 CH2Cl2'
   4  0.750  0.750  0.500       106        34 '0.8 CH2Cl2'

The full contents of the .fab are presented below 
in the _shelx_fab_file section.,SQUEEZE
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0259P)²+44.2983P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10914
_refine_ls_number_parameters     563
_refine_ls_number_restraints     564
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0313
_refine_ls_wR_factor_ref         0.0726
_refine_ls_wR_factor_gt          0.0677
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.002
_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 0.35183(2) 0.51889(2) 0.35318(2) 0.03498(5) Uani 1 1 d . . . . .
P1 P 0.43042(3) 0.82041(7) 0.56348(5) 0.0256(2) Uani 1 1 d . . . . .
B1 B 0.37667(14) 0.8040(3) 0.3936(2) 0.0249(8) Uani 1 1 d . . . . .
H1 H 0.404197 0.783198 0.367803 0.030 Uiso 1 1 calc R U . . .
Au2 Au 0.42768(2) 0.92461(2) 0.65834(2) 0.02852(4) Uani 1 1 d . . . . .
Cl2 Cl 0.39199(5) 0.38805(10) 0.40235(7) 0.0576(4) Uani 1 1 d . . . . .
P2 P 0.31767(3) 0.65075(8) 0.29807(6) 0.0279(2) Uani 1 1 d . . . . .
B2 B 0.33567(16) 0.7942(4) 0.5209(3) 0.0338(11) Uani 1 1 d . . . . .
H2 H 0.336488 0.767638 0.580035 0.041 Uiso 1 1 calc R U . . .
B3 B 0.34381(16) 0.9186(4) 0.5015(3) 0.0330(10) Uani 1 1 d . . . . .
H3 H 0.349979 0.974304 0.548109 0.040 Uiso 1 1 calc R U . . .
Cl4 Cl 0.42799(4) 1.02837(8) 0.75753(6) 0.0393(2) Uani 1 1 d . . . . .
B4 B 0.29331(17) 0.8651(4) 0.4705(3) 0.0396(12) Uani 1 1 d . . . . .
H4 H 0.265570 0.884901 0.496020 0.047 Uiso 1 1 calc R U . . .
Cl5 Cl 0.47909(6) 0.68552(11) 0.31345(8) 0.0639(4) Uani 1 1 d . . . . .
B5 B 0.28704(15) 0.8398(4) 0.3724(3) 0.0342(10) Uani 1 1 d . . . . .
H5 H 0.255275 0.842272 0.332351 0.041 Uiso 1 1 calc R U . . .
B6 B 0.31415(15) 0.9475(4) 0.4104(3) 0.0341(10) Uani 1 1 d . . . . .
H6 H 0.300412 1.021897 0.396111 0.041 Uiso 1 1 calc R U . . .
C7 C 0.32705(12) 0.7556(3) 0.3666(2) 0.0274(8) Uani 1 1 d . . . . .
B7 B 0.33404(14) 0.8763(3) 0.3437(3) 0.0290(9) Uani 1 1 d . . . . .
H7 H 0.333088 0.902891 0.284583 0.035 Uiso 1 1 calc R U . . .
C8 C 0.38036(12) 0.8300(3) 0.4884(2) 0.0257(8) Uani 1 1 d . . . . .
B8 B 0.36961(15) 0.9253(3) 0.4238(3) 0.0270(9) Uani 1 1 d . . . . .
H8 H 0.392849 0.984646 0.419009 0.032 Uiso 1 1 calc R U . . .
B9 B 0.30061(16) 0.7450(4) 0.4406(3) 0.0353(11) Uani 1 1 d . . . . .
H9 H 0.277696 0.684843 0.445094 0.042 Uiso 1 1 calc R U . . .
B10 B 0.35598(16) 0.7235(3) 0.4549(3) 0.0301(10) Uani 1 1 d . . . . .
H10 H 0.369986 0.649530 0.470058 0.036 Uiso 1 1 calc R U . . .
C11 C 0.33864(13) 0.6734(3) 0.2127(2) 0.0297(8) Uani 1 1 d . . . . .
C12 C 0.32978(15) 0.6032(4) 0.1544(3) 0.0395(10) Uani 1 1 d . . . . .
C13 C 0.34708(19) 0.6182(4) 0.0900(3) 0.0538(14) Uani 1 1 d . . . . .
H13 H 0.341126 0.572215 0.049639 0.065 Uiso 1 1 calc R U . . .
C14 C 0.3725(2) 0.6975(5) 0.0834(3) 0.0622(17) Uani 1 1 d . . . . .
H14 H 0.383603 0.706113 0.038955 0.075 Uiso 1 1 calc R U . . .
C15 C 0.38154(18) 0.7642(4) 0.1418(3) 0.0498(13) Uani 1 1 d . . . . .
H15 H 0.399107 0.818777 0.137809 0.060 Uiso 1 1 calc R U . . .
C16 C 0.36515(14) 0.7519(3) 0.2063(2) 0.0349(9) Uani 1 1 d . . . . .
H16 H 0.372070 0.797473 0.246776 0.042 Uiso 1 1 calc R U . . .
C23 C 0.30399(17) 0.5124(4) 0.1575(3) 0.0450(11) Uani 1 1 d . . . . .
H23A H 0.274668 0.530465 0.158754 0.067 Uiso 1 1 calc R U . . .
H23B H 0.316336 0.475198 0.203352 0.067 Uiso 1 1 calc R U . . .
H23C H 0.304156 0.472397 0.112478 0.067 Uiso 1 1 calc R U . . .
C24 C 0.47782(12) 0.8433(3) 0.5254(2) 0.0235(7) Uani 1 1 d . . . . .
C25 C 0.47566(12) 0.8837(3) 0.4535(2) 0.0244(7) Uani 1 1 d . . . . .
H25 H 0.448750 0.896984 0.421564 0.029 Uiso 1 1 calc R U . . .
C26 C 0.51280(13) 0.9046(3) 0.4282(2) 0.0270(8) Uani 1 1 d . . . . .
H26 H 0.511239 0.931867 0.379186 0.032 Uiso 1 1 calc R U . . .
C27 C 0.55154(13) 0.8857(3) 0.4745(2) 0.0301(8) Uani 1 1 d . . . . .
H27 H 0.576924 0.899178 0.457365 0.036 Uiso 1 1 calc R U . . .
C28 C 0.55376(13) 0.8472(3) 0.5460(2) 0.0315(9) Uani 1 1 d . . . . .
H28 H 0.580924 0.835281 0.577453 0.038 Uiso 1 1 calc R U . . .
C29 C 0.51769(13) 0.8251(3) 0.5736(2) 0.0277(8) Uani 1 1 d . . . . .
C31 C 0.52358(15) 0.7848(3) 0.6529(2) 0.0376(10) Uani 1 1 d . . . . .
H31A H 0.519081 0.714062 0.650493 0.056 Uiso 1 1 calc R U . . .
H31B H 0.502999 0.815187 0.678842 0.056 Uiso 1 1 calc R U . . .
H31C H 0.552504 0.798898 0.681029 0.056 Uiso 1 1 calc R U . . .
C32 C 0.500000 0.7555(6) 0.250000 0.064(2) Uani 1 2 d S T P . .
H32A H 0.522644 0.798099 0.278789 0.077 Uiso 0.5 1 calc R U P . .
H32B H 0.477355 0.798095 0.221210 0.077 Uiso 0.5 1 calc R U P . .
C1A C 0.2599(3) 0.6537(6) 0.2639(5) 0.0404(14) Uani 0.778(7) 1 d . U P A 1
C2A C 0.2448(2) 0.7273(6) 0.2095(5) 0.0506(16) Uani 0.778(7) 1 d . U P A 1
H2A H 0.264472 0.766017 0.189890 0.061 Uiso 0.778(7) 1 calc R U P A 1
C3A C 0.2013(2) 0.7432(6) 0.1845(5) 0.0619(17) Uani 0.778(7) 1 d . U P A 1
H3A H 0.191015 0.791077 0.147005 0.074 Uiso 0.778(7) 1 calc R U P A 1
C4A C 0.1735(3) 0.6874(7) 0.2159(5) 0.0618(18) Uani 0.778(7) 1 d . U P A 1
H4A H 0.143824 0.699468 0.201483 0.074 Uiso 0.778(7) 1 calc R U P A 1
C5A C 0.1880(2) 0.6149(7) 0.2676(5) 0.0550(16) Uani 0.778(7) 1 d . U P A 1
H5A H 0.167937 0.576842 0.286816 0.066 Uiso 0.778(7) 1 calc R U P A 1
C6A C 0.2311(2) 0.5954(5) 0.2925(4) 0.0453(14) Uani 0.778(7) 1 d . U P A 1
C10A C 0.2442(2) 0.5116(5) 0.3449(4) 0.0533(17) Uani 0.778(7) 1 d . U P A 1
H10A H 0.218949 0.482487 0.358410 0.080 Uiso 0.778(7) 1 calc R U P A 1
H10B H 0.263600 0.534552 0.390994 0.080 Uiso 0.778(7) 1 calc R U P A 1
H10C H 0.258569 0.462597 0.319651 0.080 Uiso 0.778(7) 1 calc R U P A 1
C1B C 0.2439(7) 0.569(2) 0.3194(15) 0.046(2) Uani 0.222(7) 1 d D U P A 2
H1B H 0.262529 0.530310 0.355679 0.056 Uiso 0.222(7) 1 calc R U P A 2
C2B C 0.2338(7) 0.700(2) 0.2229(17) 0.052(2) Uani 0.222(7) 1 d D U P A 2
C3B C 0.2496(9) 0.768(2) 0.1801(19) 0.063(5) Uani 0.222(7) 1 d . U P A 2
H3B1 H 0.270894 0.808196 0.213277 0.094 Uiso 0.222(7) 1 calc R U P A 2
H3B2 H 0.226420 0.809147 0.153296 0.094 Uiso 0.222(7) 1 calc R U P A 2
H3B3 H 0.262898 0.734116 0.142994 0.094 Uiso 0.222(7) 1 calc R U P A 2
C4B C 0.1991(6) 0.5562(16) 0.3065(13) 0.050(3) Uani 0.222(7) 1 d D U P A 2
H4B H 0.186763 0.508095 0.333180 0.060 Uiso 0.222(7) 1 calc R U P A 2
C5B C 0.1735(8) 0.618(2) 0.2520(16) 0.055(3) Uani 0.222(7) 1 d D U P A 2
H5B H 0.143487 0.612247 0.244295 0.066 Uiso 0.222(7) 1 calc R U P A 2
C6B C 0.2597(10) 0.641(2) 0.2767(16) 0.046(3) Uani 0.222(7) 1 d D U P A 2
C7B C 0.1887(7) 0.684(2) 0.2119(17) 0.057(2) Uani 0.222(7) 1 d D U P A 2
H7B H 0.169677 0.720496 0.174913 0.068 Uiso 0.222(7) 1 calc R U P A 2
C17 C 0.43222(17) 0.6963(4) 0.5974(3) 0.0291(11) Uani 0.881(7) 1 d . U P B 3
C18 C 0.44720(16) 0.6161(4) 0.5629(3) 0.0329(11) Uani 0.881(7) 1 d . U P B 3
C19 C 0.4484(2) 0.5258(4) 0.5987(3) 0.0442(14) Uani 0.881(7) 1 d . U P B 3
H19 H 0.458071 0.470469 0.575368 0.053 Uiso 0.881(7) 1 calc R U P B 3
C20 C 0.4359(2) 0.5140(4) 0.6677(4) 0.0515(16) Uani 0.881(7) 1 d . U P B 3
H20 H 0.437609 0.451763 0.691386 0.062 Uiso 0.881(7) 1 calc R U P B 3
C21 C 0.42090(18) 0.5933(4) 0.7013(3) 0.0446(14) Uani 0.881(7) 1 d . U P B 3
H21 H 0.411851 0.585907 0.747961 0.053 Uiso 0.881(7) 1 calc R U P B 3
C22 C 0.41917(18) 0.6836(4) 0.6667(3) 0.0362(12) Uani 0.881(7) 1 d . U P B 3
H22 H 0.408982 0.738181 0.690051 0.043 Uiso 0.881(7) 1 calc R U P B 3
C30 C 0.46276(19) 0.6209(4) 0.4897(3) 0.0367(12) Uani 0.881(7) 1 d . U P B 3
H30A H 0.458557 0.557429 0.464146 0.055 Uiso 0.881(7) 1 calc R U P B 3
H30B H 0.493072 0.637474 0.500676 0.055 Uiso 0.881(7) 1 calc R U P B 3
H30C H 0.446757 0.670921 0.456583 0.055 Uiso 0.881(7) 1 calc R U P B 3
C1C C 0.4312(13) 0.6781(18) 0.5683(18) 0.038(5) Uani 0.119(7) 1 d D U P B 4
C2C C 0.4202(9) 0.6256(18) 0.6275(15) 0.039(5) Uani 0.119(7) 1 d D U P B 4
C3C C 0.4264(9) 0.5249(17) 0.6288(16) 0.039(5) Uani 0.119(7) 1 d D U P B 4
H3C H 0.419120 0.487521 0.668574 0.047 Uiso 0.119(7) 1 calc R U P B 4
C4C C 0.4431(10) 0.4780(17) 0.5730(17) 0.040(5) Uani 0.119(7) 1 d D U P B 4
H4C H 0.448204 0.409714 0.576224 0.048 Uiso 0.119(7) 1 calc R U P B 4
C5C C 0.4524(11) 0.5310(18) 0.5125(16) 0.039(5) Uani 0.119(7) 1 d D U P B 4
H5C H 0.460785 0.498769 0.471327 0.047 Uiso 0.119(7) 1 calc R U P B 4
C6C C 0.4491(12) 0.6320(18) 0.5138(18) 0.038(5) Uani 0.119(7) 1 d D U P B 4
H6C H 0.459219 0.669960 0.477165 0.046 Uiso 0.119(7) 1 calc R U P B 4
C7C C 0.4009(14) 0.669(3) 0.688(2) 0.039(6) Uani 0.119(7) 1 d . U P B 4
H7CA H 0.412308 0.734294 0.699750 0.059 Uiso 0.119(7) 1 calc R U P B 4
H7CB H 0.407721 0.627693 0.733369 0.059 Uiso 0.119(7) 1 calc R U P B 4
H7CC H 0.370000 0.672014 0.669931 0.059 Uiso 0.119(7) 1 calc R U P B 4


_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 2.2357(11) . ?
Au1 Cl2 2.2775(13) . ?
P1 C17 1.804(5) . ?
P1 C24 1.827(4) . ?
P1 C8 1.876(4) . ?
P1 C1C 1.95(2) . ?
P1 Au2 2.2423(10) . ?
B1 C7 1.702(6) . ?
B1 C8 1.722(6) . ?
B1 B7 1.774(6) . ?
B1 B8 1.779(6) . ?
B1 B10 1.786(6) . ?
Au2 Cl4 2.2813(10) . ?
P2 C6B 1.83(3) . ?
P2 C1A 1.830(10) . ?
P2 C11 1.831(4) . ?
P2 C7 1.877(4) . ?
B2 C8 1.734(6) . ?
B2 B4 1.762(8) . ?
B2 B10 1.762(6) . ?
B2 B9 1.769(7) . ?
B2 B3 1.772(7) . ?
B3 C8 1.741(6) . ?
B3 B6 1.760(8) . ?
B3 B4 1.762(7) . ?
B3 B8 1.774(6) . ?
B4 B9 1.764(7) . ?
B4 B5 1.769(8) . ?
B4 B6 1.789(7) . ?
Cl5 C32 1.733(5) . ?
B5 C7 1.748(6) . ?
B5 B7 1.770(6) . ?
B5 B6 1.776(7) . ?
B5 B9 1.778(8) . ?
B6 B7 1.768(7) . ?
B6 B8 1.775(7) . ?
C7 B10 1.721(6) . ?
C7 B7 1.731(6) . ?
C7 B9 1.732(6) . ?
B7 B8 1.773(7) . ?
C8 B10 1.706(6) . ?
C8 B8 1.735(6) . ?
B9 B10 1.770(7) . ?
C11 C16 1.392(6) . ?
C11 C12 1.408(6) . ?
C12 C13 1.404(7) . ?
C12 C23 1.503(7) . ?
C13 C14 1.381(8) . ?
C14 C15 1.377(7) . ?
C15 C16 1.383(6) . ?
C24 C25 1.396(5) . ?
C24 C29 1.411(5) . ?
C25 C26 1.395(5) . ?
C26 C27 1.370(6) . ?
C27 C28 1.379(6) . ?
C28 C29 1.388(6) . ?
C29 C31 1.506(5) . ?
C1A C6A 1.402(10) . ?
C1A C2A 1.419(11) . ?
C2A C3A 1.393(10) . ?
C3A C4A 1.385(12) . ?
C4A C5A 1.373(14) . ?
C5A C6A 1.390(10) . ?
C6A C10A 1.489(11) . ?
C1B C6B 1.41(3) . ?
C1B C4B 1.42(2) . ?
C2B C3B 1.37(4) . ?
C2B C6B 1.40(3) . ?
C2B C7B 1.44(2) . ?
C4B C5B 1.43(3) . ?
C5B C7B 1.30(4) . ?
C17 C18 1.397(7) . ?
C17 C22 1.409(6) . ?
C18 C19 1.393(7) . ?
C18 C30 1.507(7) . ?
C19 C20 1.394(8) . ?
C20 C21 1.380(8) . ?
C21 C22 1.382(7) . ?
C1C C6C 1.390(13) . ?
C1C C2C 1.392(13) . ?
C2C C3C 1.393(13) . ?
C2C C7C 1.48(5) . ?
C3C C4C 1.392(13) . ?
C4C C5C 1.392(13) . ?
C5C C6C 1.390(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
P2 Au1 Cl2 173.99(5) . . ?
C17 P1 C24 108.6(2) . . ?
C17 P1 C8 105.7(2) . . ?
C24 P1 C8 112.00(17) . . ?
C24 P1 C1C 100.7(10) . . ?
C8 P1 C1C 95.9(12) . . ?
C17 P1 Au2 110.29(16) . . ?
C24 P1 Au2 110.28(12) . . ?
C8 P1 Au2 109.80(12) . . ?
C1C P1 Au2 127.2(9) . . ?
C7 B1 C8 103.2(3) . . ?
C7 B1 B7 59.7(2) . . ?
C8 B1 B7 105.7(3) . . ?
C7 B1 B8 106.2(3) . . ?
C8 B1 B8 59.4(2) . . ?
B7 B1 B8 59.9(3) . . ?
C7 B1 B10 59.1(3) . . ?
C8 B1 B10 58.1(2) . . ?
B7 B1 B10 108.0(3) . . ?
B8 B1 B10 107.5(3) . . ?
P1 Au2 Cl4 177.35(4) . . ?
C6B P2 C11 112.1(9) . . ?
C1A P2 C11 104.0(3) . . ?
C6B P2 C7 102.1(9) . . ?
C1A P2 C7 102.4(3) . . ?
C11 P2 C7 112.66(18) . . ?
C6B P2 Au1 114.7(9) . . ?
C1A P2 Au1 122.4(3) . . ?
C11 P2 Au1 106.04(14) . . ?
C7 P2 Au1 109.38(13) . . ?
C8 B2 B4 106.0(3) . . ?
C8 B2 B10 58.4(2) . . ?
B4 B2 B10 108.2(4) . . ?
C8 B2 B9 105.2(3) . . ?
B4 B2 B9 59.9(3) . . ?
B10 B2 B9 60.2(3) . . ?
C8 B2 B3 59.6(2) . . ?
B4 B2 B3 59.8(3) . . ?
B10 B2 B3 107.8(3) . . ?
B9 B2 B3 107.5(4) . . ?
C8 B3 B6 106.2(3) . . ?
C8 B3 B4 105.7(3) . . ?
B6 B3 B4 61.0(3) . . ?
C8 B3 B2 59.1(3) . . ?
B6 B3 B2 109.0(4) . . ?
B4 B3 B2 59.8(3) . . ?
C8 B3 B8 59.1(2) . . ?
B6 B3 B8 60.3(3) . . ?
B4 B3 B8 108.9(4) . . ?
B2 B3 B8 108.6(3) . . ?
B2 B4 B3 60.4(3) . . ?
B2 B4 B9 60.2(3) . . ?
B3 B4 B9 108.2(4) . . ?
B2 B4 B5 108.6(3) . . ?
B3 B4 B5 107.6(3) . . ?
B9 B4 B5 60.4(3) . . ?
B2 B4 B6 108.2(3) . . ?
B3 B4 B6 59.4(3) . . ?
B9 B4 B6 108.3(3) . . ?
B5 B4 B6 59.9(3) . . ?
C7 B5 B4 105.0(4) . . ?
C7 B5 B7 58.9(2) . . ?
B4 B5 B7 108.1(4) . . ?
C7 B5 B6 105.3(3) . . ?
B4 B5 B6 60.6(3) . . ?
B7 B5 B6 59.8(3) . . ?
C7 B5 B9 58.8(3) . . ?
B4 B5 B9 59.6(3) . . ?
B7 B5 B9 107.9(3) . . ?
B6 B5 B9 108.2(4) . . ?
B3 B6 B7 107.8(3) . . ?
B3 B6 B8 60.2(3) . . ?
B7 B6 B8 60.0(3) . . ?
B3 B6 B5 107.3(4) . . ?
B7 B6 B5 59.9(3) . . ?
B8 B6 B5 107.9(3) . . ?
B3 B6 B4 59.5(3) . . ?
B7 B6 B4 107.3(3) . . ?
B8 B6 B4 107.7(4) . . ?
B5 B6 B4 59.5(3) . . ?
B1 C7 B10 62.9(2) . . ?
B1 C7 B7 62.2(2) . . ?
B10 C7 B7 113.1(3) . . ?
B1 C7 B9 113.4(3) . . ?
B10 C7 B9 61.7(3) . . ?
B7 C7 B9 111.9(3) . . ?
B1 C7 B5 112.5(3) . . ?
B10 C7 B5 112.0(3) . . ?
B7 C7 B5 61.2(3) . . ?
B9 C7 B5 61.5(3) . . ?
B1 C7 P2 119.8(3) . . ?
B10 C7 P2 113.1(3) . . ?
B7 C7 P2 125.9(3) . . ?
B9 C7 P2 113.9(3) . . ?
B5 C7 P2 121.8(3) . . ?
C7 B7 B6 106.4(3) . . ?
C7 B7 B5 59.9(3) . . ?
B6 B7 B5 60.3(3) . . ?
C7 B7 B8 105.3(3) . . ?
B6 B7 B8 60.2(3) . . ?
B5 B7 B8 108.4(3) . . ?
C7 B7 B1 58.1(2) . . ?
B6 B7 B1 108.5(3) . . ?
B5 B7 B1 108.2(3) . . ?
B8 B7 B1 60.2(3) . . ?
B10 C8 B1 62.8(2) . . ?
B10 C8 B2 61.6(3) . . ?
B1 C8 B2 112.8(3) . . ?
B10 C8 B8 113.3(3) . . ?
B1 C8 B8 61.9(2) . . ?
B2 C8 B8 112.2(3) . . ?
B10 C8 B3 111.8(3) . . ?
B1 C8 B3 111.8(3) . . ?
B2 C8 B3 61.3(3) . . ?
B8 C8 B3 61.4(3) . . ?
B10 C8 P1 117.1(3) . . ?
B1 C8 P1 124.7(3) . . ?
B2 C8 P1 112.5(3) . . ?
B8 C8 P1 123.7(3) . . ?
B3 C8 P1 116.9(3) . . ?
C8 B8 B7 105.2(3) . . ?
C8 B8 B3 59.5(2) . . ?
B7 B8 B3 107.0(3) . . ?
C8 B8 B6 105.8(3) . . ?
B7 B8 B6 59.8(3) . . ?
B3 B8 B6 59.4(3) . . ?
C8 B8 B1 58.7(2) . . ?
B7 B8 B1 59.9(3) . . ?
B3 B8 B1 107.7(3) . . ?
B6 B8 B1 107.9(3) . . ?
C7 B9 B4 105.9(3) . . ?
C7 B9 B2 105.4(3) . . ?
B4 B9 B2 59.8(3) . . ?
C7 B9 B10 58.9(2) . . ?
B4 B9 B10 107.8(4) . . ?
B2 B9 B10 59.7(3) . . ?
C7 B9 B5 59.7(3) . . ?
B4 B9 B5 59.9(3) . . ?
B2 B9 B5 107.9(4) . . ?
B10 B9 B5 108.3(3) . . ?
C8 B10 C7 103.1(3) . . ?
C8 B10 B2 60.0(2) . . ?
C7 B10 B2 106.1(3) . . ?
C8 B10 B9 106.4(3) . . ?
C7 B10 B9 59.5(3) . . ?
B2 B10 B9 60.1(3) . . ?
C8 B10 B1 59.1(2) . . ?
C7 B10 B1 58.0(2) . . ?
B2 B10 B1 108.5(3) . . ?
B9 B10 B1 107.6(3) . . ?
C16 C11 C12 119.9(4) . . ?
C16 C11 P2 122.7(3) . . ?
C12 C11 P2 117.2(3) . . ?
C13 C12 C11 117.5(4) . . ?
C13 C12 C23 118.0(4) . . ?
C11 C12 C23 124.4(4) . . ?
C14 C13 C12 122.1(5) . . ?
C15 C14 C13 119.4(5) . . ?
C14 C15 C16 120.3(5) . . ?
C15 C16 C11 120.8(4) . . ?
C25 C24 C29 120.1(3) . . ?
C25 C24 P1 122.3(3) . . ?
C29 C24 P1 117.4(3) . . ?
C26 C25 C24 120.3(4) . . ?
C27 C26 C25 119.6(4) . . ?
C26 C27 C28 120.1(4) . . ?
C27 C28 C29 122.3(4) . . ?
C28 C29 C24 117.5(4) . . ?
C28 C29 C31 118.2(4) . . ?
C24 C29 C31 124.4(4) . . ?
Cl5 C32 Cl5 112.7(5) . 2_655 ?
C6A C1A C2A 120.1(9) . . ?
C6A C1A P2 124.6(7) . . ?
C2A C1A P2 115.1(6) . . ?
C3A C2A C1A 120.6(8) . . ?
C4A C3A C2A 118.2(9) . . ?
C5A C4A C3A 121.3(8) . . ?
C4A C5A C6A 122.0(8) . . ?
C5A C6A C1A 117.6(8) . . ?
C5A C6A C10A 118.8(7) . . ?
C1A C6A C10A 123.5(7) . . ?
C6B C1B C4B 118(2) . . ?
C3B C2B C6B 123(2) . . ?
C3B C2B C7B 121(3) . . ?
C6B C2B C7B 116(2) . . ?
C1B C4B C5B 117.2(18) . . ?
C7B C5B C4B 124(2) . . ?
C2B C6B C1B 124(2) . . ?
C2B C6B P2 122.4(19) . . ?
C1B C6B P2 114.0(18) . . ?
C5B C7B C2B 121(2) . . ?
C18 C17 C22 119.4(5) . . ?
C18 C17 P1 125.5(4) . . ?
C22 C17 P1 114.9(4) . . ?
C19 C18 C17 118.2(5) . . ?
C19 C18 C30 117.5(5) . . ?
C17 C18 C30 124.3(4) . . ?
C18 C19 C20 122.0(6) . . ?
C21 C20 C19 119.6(5) . . ?
C20 C21 C22 119.5(5) . . ?
C21 C22 C17 121.3(5) . . ?
C6C C1C C2C 121.0(16) . . ?
C6C C1C P1 115.2(16) . . ?
C2C C1C P1 123.2(17) . . ?
C1C C2C C3C 117.8(16) . . ?
C1C C2C C7C 125(2) . . ?
C3C C2C C7C 118(2) . . ?
C4C C3C C2C 121.4(16) . . ?
C3C C4C C5C 120.1(16) . . ?
C6C C5C C4C 118.5(16) . . ?
C5C C6C C1C 120.6(16) . . ?

_refine_diff_density_max         3.430
_refine_diff_density_min         -1.859
_refine_diff_density_rms         0.133




_exptl_crystal_recrystallization_method 
'slow diffusion of diethyl ether into a solution of complex in dichloromethane'
_chemical_properties_physical    Light-sensitive,Photo-sensitive
_exptl_crystal_preparation       Luminescent
