# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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_m24077
_database_code_depnum_ccdc_archive 'CCDC 2366025'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin' 'University of Kentucky'
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2022). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2024-06-26 deposited with the CCDC.	2024-08-08 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT987_m24077              
;
PROBLEM: The Flack x is >> 0 -  Do a BASF/TWIN Refinement     Please Check 
RESPONSE: Such a refinement gives Flack's x = -0.003(4), so the structure 
isnot twinned by inversion. For a conventional refinement, the classical 
fit gives x = -0.002(3), while Parsons' quotients give 0.012(2). Minor 
overestimation by the quotients method seems to be quite common and rarely 
of any concern. 
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2019/3

_shelx_SHELXL_version_number     2019/3

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C47 H36 Au Cl N O P2, C4 H10 O, C H2 Cl2, Cl, H2 O'
_chemical_formula_sum            'C52 H50 Au Cl4 N O3 P2'
_chemical_formula_weight         1137.63

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'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_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'

_cell_length_a                   9.5743(4)
_cell_length_b                   10.8642(3)
_cell_length_c                   13.1587(5)
_cell_angle_alpha                69.840(1)
_cell_angle_beta                 76.071(1)
_cell_angle_gamma                80.548(1)
_cell_volume                     1242.12(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    100.0(2)
_cell_measurement_reflns_used    9678
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      27.54

_exptl_crystal_description       'cut block'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_F_000             570
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    3.283
_shelx_estimated_absorpt_T_min   0.605
_shelx_estimated_absorpt_T_max   0.803
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.759
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount, scan truncation etc. These account, by and large, for the difference 
between SHELX estimates of Tmin and Tmax and the _exptl_absorpt_correction_ 
values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 100K. 
;

_diffrn_ambient_temperature      100.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            58572
_diffrn_reflns_av_unetI/netI     0.0507
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.005
_diffrn_reflns_theta_max         27.606
_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 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.983

_reflns_number_total             11334
_reflns_number_gt                11161
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.968
_reflns_Friedel_fraction_max     0.966
_reflns_Friedel_fraction_full    0.966
_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       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'APEX3 (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_refine_special_details          
; 
Refinement progress was checked using Platon (Spek, 2020) and by 
an R-tensor (Parkin, 2000). The final model was further checked 
with the IUCr utility checkCIF. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
Flack 'x' determined using 5196 quotients [(I+)-(I-)]/[(I+)+(I-)] 
[Parsons, Flack and Wagner (2013)]. 
;
_refine_ls_abs_structure_Flack   0.012(2)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         11334
_refine_ls_number_parameters     592
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0245
_refine_ls_wR_factor_ref         0.0429
_refine_ls_wR_factor_gt          0.0425
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_restrained_S_all      0.985
_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 0.55862(2) 0.03717(2) 0.45986(2) 0.01997(4) Uani 1 1 d . . . . .
Cl1 Cl 0.76721(19) 0.07564(18) 0.49357(16) 0.0319(5) Uani 1 1 d . . . . .
P1 P 0.35032(18) 0.00247(16) 0.43217(14) 0.0167(4) Uani 1 1 d . . . . .
P2 P 0.63275(11) -0.47575(10) 0.62381(9) 0.0156(2) Uani 1 1 d . . . . .
O1 O 0.5271(3) -0.2503(3) 0.4432(2) 0.0191(6) Uani 1 1 d . . . . .
N1 N 0.4770(4) -0.6238(3) 0.8075(3) 0.0238(8) Uani 1 1 d . . . . .
C1 C 0.3644(4) -0.0930(4) 0.3409(3) 0.0167(8) Uani 1 1 d . . . . .
C2 C 0.2838(5) -0.0565(4) 0.2578(4) 0.0219(9) Uani 1 1 d . . . . .
H2 H 0.223744 0.023935 0.245158 0.026 Uiso 1 1 calc R U . . .
C3 C 0.2903(5) -0.1358(5) 0.1937(4) 0.0229(10) Uani 1 1 d . . . . .
H3 H 0.235412 -0.109795 0.137230 0.028 Uiso 1 1 calc R U . . .
C4 C 0.3775(5) -0.2536(5) 0.2125(4) 0.0252(11) Uani 1 1 d . . . . .
H4 H 0.381260 -0.309037 0.169479 0.030 Uiso 1 1 calc R U . . .
C5 C 0.4591(5) -0.2908(4) 0.2938(4) 0.025(1) Uani 1 1 d . . . . .
H5 H 0.519843 -0.370762 0.305719 0.030 Uiso 1 1 calc R U . . .
C6 C 0.4517(4) -0.2113(4) 0.3571(3) 0.0174(8) Uani 1 1 d . . . . .
C7 C 0.6747(6) -0.2804(5) 0.4161(4) 0.0164(11) Uani 1 1 d . . . . .
C8 C 0.7572(5) -0.2091(4) 0.3174(3) 0.0213(9) Uani 1 1 d . . . . .
H8 H 0.711769 -0.141238 0.264595 0.026 Uiso 1 1 calc R U . . .
C9 C 0.9051(5) -0.2367(4) 0.2961(4) 0.0242(9) Uani 1 1 d . . . . .
H9 H 0.961118 -0.188223 0.228131 0.029 Uiso 1 1 calc R U . . .
C10 C 0.9724(5) -0.3340(4) 0.3726(4) 0.0236(9) Uani 1 1 d . . . . .
H10 H 1.074347 -0.352556 0.357484 0.028 Uiso 1 1 calc R U . . .
C11 C 0.8903(4) -0.4048(4) 0.4719(4) 0.0211(9) Uani 1 1 d . . . . .
H11 H 0.936893 -0.471870 0.524449 0.025 Uiso 1 1 calc R U . . .
C12 C 0.7403(4) -0.3791(4) 0.4958(3) 0.0165(8) Uani 1 1 d . . . . .
C13 C 0.5716(4) -0.3716(4) 0.7104(3) 0.0182(8) Uani 1 1 d . . . . .
C14 C 0.6345(5) -0.2522(4) 0.6747(4) 0.0231(9) Uani 1 1 d . . . . .
H14 H 0.699902 -0.227569 0.605677 0.028 Uiso 1 1 calc R U . . .
C15 C 0.6019(5) -0.1695(5) 0.7395(4) 0.0302(11) Uani 1 1 d . . . . .
H15 H 0.646451 -0.089628 0.715630 0.036 Uiso 1 1 calc R U . . .
C16 C 0.5044(6) -0.2042(5) 0.8386(4) 0.0354(12) Uani 1 1 d . . . . .
H16 H 0.481049 -0.147386 0.882421 0.042 Uiso 1 1 calc R U . . .
C17 C 0.4403(5) -0.3210(5) 0.8746(4) 0.0304(11) Uani 1 1 d . . . . .
H17 H 0.372222 -0.342670 0.942407 0.037 Uiso 1 1 calc R U . . .
C18 C 0.4743(5) -0.4078(4) 0.8126(4) 0.0227(9) Uani 1 1 d . . . . .
C19 C 0.4087(5) -0.5342(5) 0.8555(4) 0.0231(10) Uani 1 1 d . . . . .
C20 C 0.2844(5) -0.5596(5) 0.9365(4) 0.0327(11) Uani 1 1 d . . . . .
H20 H 0.235802 -0.494376 0.968784 0.039 Uiso 1 1 calc R U . . .
C21 C 0.2325(6) -0.6820(5) 0.9694(4) 0.0407(13) Uani 1 1 d . . . . .
H21 H 0.147862 -0.702042 1.025084 0.049 Uiso 1 1 calc R U . . .
C22 C 0.3049(6) -0.7751(5) 0.9205(4) 0.0341(12) Uani 1 1 d . . . . .
H22 H 0.272135 -0.860105 0.942350 0.041 Uiso 1 1 calc R U . . .
C23 C 0.4247(5) -0.7407(4) 0.8399(4) 0.0293(10) Uani 1 1 d . . . . .
H23 H 0.473571 -0.803398 0.804914 0.035 Uiso 1 1 calc R U . . .
C24 C 0.2508(4) 0.1565(4) 0.3702(3) 0.0186(9) Uani 1 1 d . . . . .
C25 C 0.3259(5) 0.2507(4) 0.2800(4) 0.0236(9) Uani 1 1 d . . . . .
H25 H 0.425481 0.232415 0.252310 0.028 Uiso 1 1 calc R U . . .
C26 C 0.2539(5) 0.3710(4) 0.2313(4) 0.0277(10) Uani 1 1 d . . . . .
H26 H 0.304602 0.435104 0.170344 0.033 Uiso 1 1 calc R U . . .
C27 C 0.1087(5) 0.3977(4) 0.2714(4) 0.0279(10) Uani 1 1 d . . . . .
H27 H 0.059714 0.479898 0.237862 0.033 Uiso 1 1 calc R U . . .
C28 C 0.0347(5) 0.3044(4) 0.3605(4) 0.0273(10) Uani 1 1 d . . . . .
H28 H -0.065116 0.322626 0.387785 0.033 Uiso 1 1 calc R U . . .
C29 C 0.1059(5) 0.1843(4) 0.4100(4) 0.0222(9) Uani 1 1 d . . . . .
H29 H 0.054933 0.121023 0.471498 0.027 Uiso 1 1 calc R U . . .
C30 C 0.2307(4) -0.0838(4) 0.5581(4) 0.0202(9) Uani 1 1 d . . . . .
C31 C 0.2461(5) -0.0792(5) 0.6580(4) 0.0319(11) Uani 1 1 d . . . . .
H31 H 0.319861 -0.032453 0.660948 0.038 Uiso 1 1 calc R U . . .
C32 C 0.1541(6) -0.1426(6) 0.7543(4) 0.0428(14) Uani 1 1 d . . . . .
H32 H 0.164305 -0.138045 0.822949 0.051 Uiso 1 1 calc R U . . .
C33 C 0.0484(6) -0.2119(5) 0.7517(4) 0.0396(13) Uani 1 1 d . . . . .
H33 H -0.013854 -0.255797 0.818153 0.048 Uiso 1 1 calc R U . . .
C34 C 0.0332(5) -0.2175(5) 0.6516(5) 0.0378(12) Uani 1 1 d . . . . .
H34 H -0.039477 -0.265956 0.649316 0.045 Uiso 1 1 calc R U . . .
C35 C 0.1230(5) -0.1531(4) 0.5551(4) 0.0269(10) Uani 1 1 d . . . . .
H35 H 0.111118 -0.156205 0.486425 0.032 Uiso 1 1 calc R U . . .
C36 C 0.7609(5) -0.6080(5) 0.6834(4) 0.0196(10) Uani 1 1 d . . . . .
C37 C 0.8408(5) -0.5839(5) 0.7486(4) 0.0324(11) Uani 1 1 d . . . . .
H37 H 0.823435 -0.503021 0.764189 0.039 Uiso 1 1 calc R U . . .
C38 C 0.9460(5) -0.6785(6) 0.7907(4) 0.0411(13) Uani 1 1 d . . . . .
H38 H 1.000525 -0.661726 0.835316 0.049 Uiso 1 1 calc R U . . .
C39 C 0.9731(5) -0.7962(5) 0.7694(4) 0.0408(13) Uani 1 1 d . . . . .
H39 H 1.046307 -0.860060 0.798089 0.049 Uiso 1 1 calc R U . . .
C40 C 0.8918(6) -0.8203(5) 0.7050(5) 0.0354(13) Uani 1 1 d . . . . .
H40 H 0.908394 -0.901882 0.690584 0.043 Uiso 1 1 calc R U . . .
C41 C 0.7866(5) -0.7262(5) 0.6618(4) 0.0288(10) Uani 1 1 d . . . . .
H41 H 0.732162 -0.743015 0.617197 0.035 Uiso 1 1 calc R U . . .
C42 C 0.4909(4) -0.5224(4) 0.5799(3) 0.0176(8) Uani 1 1 d . . . . .
C43 C 0.3482(4) -0.4748(4) 0.6083(4) 0.0225(9) Uani 1 1 d . . . . .
H43 H 0.324609 -0.418236 0.652398 0.027 Uiso 1 1 calc R U . . .
C44 C 0.2409(5) -0.5091(5) 0.5728(4) 0.0317(11) Uani 1 1 d . . . . .
H44 H 0.143331 -0.477311 0.593525 0.038 Uiso 1 1 calc R U . . .
C45 C 0.2743(6) -0.5897(5) 0.5070(5) 0.0400(13) Uani 1 1 d . . . . .
H45 H 0.199716 -0.613646 0.483002 0.048 Uiso 1 1 calc R U . . .
C46 C 0.4169(7) -0.6354(6) 0.4761(6) 0.0348(17) Uani 1 1 d . . . . .
H46 H 0.440006 -0.691013 0.431208 0.042 Uiso 1 1 calc R U . . .
C47 C 0.5259(5) -0.5998(4) 0.5109(4) 0.026(1) Uani 1 1 d . . . . .
H47 H 0.623963 -0.628353 0.487658 0.031 Uiso 1 1 calc R U . . .
Cl1A Cl 0.11061(14) 0.69317(11) 0.05645(10) 0.0372(3) Uani 1 1 d . . . . .
O1E O 0.7869(4) 0.0594(3) 0.0913(3) 0.0347(8) Uani 1 1 d . . . . .
C1E C 0.6733(7) 0.0798(6) 0.0342(5) 0.0558(16) Uani 1 1 d . . . . .
H1E1 H 0.681533 0.163496 -0.027860 0.067 Uiso 1 1 calc R U . . .
H1E2 H 0.579245 0.086180 0.084671 0.067 Uiso 1 1 calc R U . . .
C2E C 0.6800(8) -0.0312(7) -0.0090(6) 0.067(2) Uani 1 1 d . . . . .
H2EA H 0.606418 -0.012696 -0.054043 0.101 Uiso 1 1 calc R U . . .
H2EB H 0.662037 -0.112448 0.052989 0.101 Uiso 1 1 calc R U . . .
H2EC H 0.775869 -0.041496 -0.054339 0.101 Uiso 1 1 calc R U . . .
C3E C 0.7855(7) 0.1583(6) 0.1371(5) 0.0494(15) Uani 1 1 d . . . . .
H3E1 H 0.694824 0.160721 0.192097 0.059 Uiso 1 1 calc R U . . .
H3E2 H 0.789463 0.244947 0.078417 0.059 Uiso 1 1 calc R U . . .
C4E C 0.9133(6) 0.1321(6) 0.1921(5) 0.0399(13) Uani 1 1 d . . . . .
H4EA H 1.002085 0.119817 0.139654 0.060 Uiso 1 1 calc R U . . .
H4EB H 0.902164 0.052407 0.256488 0.060 Uiso 1 1 calc R U . . .
H4EC H 0.918740 0.207046 0.215836 0.060 Uiso 1 1 calc R U . . .
C1D C 0.7716(11) 0.5827(10) 0.0981(9) 0.066(3) Uani 0.683(9) 1 d D . P A 1
H1D1 H 0.716274 0.664599 0.107807 0.080 Uiso 0.683(9) 1 calc R U P A 1
H1D2 H 0.875412 0.595354 0.083961 0.080 Uiso 0.683(9) 1 calc R U P A 1
Cl1D Cl 0.7401(8) 0.5654(6) -0.0065(4) 0.114(2) Uani 0.683(9) 1 d D U P A 1
Cl2D Cl 0.7299(5) 0.4499(5) 0.2275(4) 0.0509(9) Uani 0.683(9) 1 d D . P A 1
C1F C 0.831(2) 0.523(2) 0.0862(13) 0.066(3) Uani 0.317(9) 1 d D . P A 2
H1F1 H 0.835472 0.616376 0.078079 0.080 Uiso 0.317(9) 1 calc R U P A 2
H1F2 H 0.925042 0.476204 0.102691 0.080 Uiso 0.317(9) 1 calc R U P A 2
Cl1F Cl 0.8223(10) 0.5181(7) -0.0288(5) 0.055(2) Uani 0.317(9) 1 d D U P A 2
Cl2F Cl 0.6963(11) 0.4594(13) 0.2062(9) 0.0509(9) Uani 0.317(9) 1 d D . P A 2
O1W O 0.0828(4) -0.0055(3) -0.0124(3) 0.0353(8) Uani 1 1 d D . . . .
H1W H -0.003(3) 0.016(5) 0.018(4) 0.053 Uiso 1 1 d D U . . .
H2W H 0.088(5) -0.0896(15) 0.008(5) 0.053 Uiso 1 1 d 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 P1 2.2234(18) . ?
Au1 Cl1 2.2778(18) . ?
P1 C1 1.808(4) . ?
P1 C24 1.812(4) . ?
P1 C30 1.817(5) . ?
P2 C42 1.801(4) . ?
P2 C13 1.809(4) . ?
P2 C36 1.815(5) . ?
P2 C12 1.817(4) . ?
O1 C7 1.384(6) . ?
O1 C6 1.396(5) . ?
N1 C23 1.333(6) . ?
N1 C19 1.337(6) . ?
C1 C6 1.393(5) . ?
C1 C2 1.399(6) . ?
C2 C3 1.384(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.389(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.384(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.375(6) . ?
C5 H5 0.9500 . ?
C7 C8 1.387(7) . ?
C7 C12 1.401(6) . ?
C8 C9 1.379(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.379(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.388(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.397(6) . ?
C11 H11 0.9500 . ?
C13 C14 1.401(6) . ?
C13 C18 1.409(6) . ?
C14 C15 1.394(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.380(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.401(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.476(6) . ?
C19 C20 1.387(7) . ?
C20 C21 1.386(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.386(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.365(7) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C29 1.383(6) . ?
C24 C25 1.402(6) . ?
C25 C26 1.390(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.384(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.386(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.388(6) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C31 1.377(6) . ?
C30 C35 1.389(6) . ?
C31 C32 1.384(7) . ?
C31 H31 0.9500 . ?
C32 C33 1.370(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.382(8) . ?
C33 H33 0.9500 . ?
C34 C35 1.379(7) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C41 1.380(7) . ?
C36 C37 1.388(7) . ?
C37 C38 1.383(7) . ?
C37 H37 0.9500 . ?
C38 C39 1.373(8) . ?
C38 H38 0.9500 . ?
C39 C40 1.389(8) . ?
C39 H39 0.9500 . ?
C40 C41 1.386(7) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
C42 C43 1.389(6) . ?
C42 C47 1.390(6) . ?
C43 C44 1.374(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.385(7) . ?
C44 H44 0.9500 . ?
C45 C46 1.387(9) . ?
C45 H45 0.9500 . ?
C46 C47 1.391(7) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
O1E C3E 1.400(6) . ?
O1E C1E 1.413(6) . ?
C1E C2E 1.486(9) . ?
C1E H1E1 0.9900 . ?
C1E H1E2 0.9900 . ?
C2E H2EA 0.9800 . ?
C2E H2EB 0.9800 . ?
C2E H2EC 0.9800 . ?
C3E C4E 1.507(8) . ?
C3E H3E1 0.9900 . ?
C3E H3E2 0.9900 . ?
C4E H4EA 0.9800 . ?
C4E H4EB 0.9800 . ?
C4E H4EC 0.9800 . ?
C1D Cl1D 1.554(11) . ?
C1D Cl2D 1.82(1) . ?
C1D H1D1 0.9900 . ?
C1D H1D2 0.9900 . ?
C1F Cl1F 1.555(15) . ?
C1F Cl2F 1.787(14) . ?
C1F H1F1 0.9900 . ?
C1F H1F2 0.9900 . ?
O1W H1W 0.855(14) . ?
O1W H2W 0.855(14) . ?

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 Cl1 177.81(9) . . ?
C1 P1 C24 104.8(2) . . ?
C1 P1 C30 104.4(2) . . ?
C24 P1 C30 106.4(2) . . ?
C1 P1 Au1 115.66(15) . . ?
C24 P1 Au1 111.06(15) . . ?
C30 P1 Au1 113.62(16) . . ?
C42 P2 C13 114.60(19) . . ?
C42 P2 C36 116.4(2) . . ?
C13 P2 C36 109.9(2) . . ?
C42 P2 C12 103.87(19) . . ?
C13 P2 C12 107.14(18) . . ?
C36 P2 C12 103.8(2) . . ?
C7 O1 C6 116.6(3) . . ?
C23 N1 C19 118.8(4) . . ?
C6 C1 C2 118.0(4) . . ?
C6 C1 P1 119.5(3) . . ?
C2 C1 P1 122.3(3) . . ?
C3 C2 C1 121.0(4) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C2 C3 C4 119.5(5) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 120.3(5) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C6 C5 C4 119.7(4) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C5 C6 C1 121.5(4) . . ?
C5 C6 O1 120.6(4) . . ?
C1 C6 O1 117.9(3) . . ?
O1 C7 C8 121.5(4) . . ?
O1 C7 C12 117.6(4) . . ?
C8 C7 C12 120.7(5) . . ?
C9 C8 C7 119.9(4) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C10 120.6(4) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C9 C10 C11 119.6(4) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C10 C11 C12 121.1(4) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C11 C12 C7 118.1(4) . . ?
C11 C12 P2 120.9(3) . . ?
C7 C12 P2 121.0(3) . . ?
C14 C13 C18 119.6(4) . . ?
C14 C13 P2 116.3(3) . . ?
C18 C13 P2 123.9(3) . . ?
C15 C14 C13 120.6(4) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C16 C15 C14 119.6(4) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 120.6(4) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C16 C17 C18 121.0(4) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C17 C18 C13 118.6(4) . . ?
C17 C18 C19 119.7(4) . . ?
C13 C18 C19 121.7(4) . . ?
N1 C19 C20 121.6(4) . . ?
N1 C19 C18 114.4(4) . . ?
C20 C19 C18 124.0(4) . . ?
C21 C20 C19 118.6(5) . . ?
C21 C20 H20 120.7 . . ?
C19 C20 H20 120.7 . . ?
C22 C21 C20 119.5(5) . . ?
C22 C21 H21 120.2 . . ?
C20 C21 H21 120.2 . . ?
C23 C22 C21 117.9(4) . . ?
C23 C22 H22 121.1 . . ?
C21 C22 H22 121.1 . . ?
N1 C23 C22 123.6(4) . . ?
N1 C23 H23 118.2 . . ?
C22 C23 H23 118.2 . . ?
C29 C24 C25 119.6(4) . . ?
C29 C24 P1 122.4(3) . . ?
C25 C24 P1 118.0(3) . . ?
C26 C25 C24 119.7(4) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C27 C26 C25 120.2(4) . . ?
C27 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C26 C27 C28 120.0(4) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 C29 120.2(4) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C24 C29 C28 120.3(4) . . ?
C24 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C31 C30 C35 119.4(4) . . ?
C31 C30 P1 119.5(4) . . ?
C35 C30 P1 121.1(3) . . ?
C30 C31 C32 120.0(5) . . ?
C30 C31 H31 120.0 . . ?
C32 C31 H31 120.0 . . ?
C33 C32 C31 120.7(5) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C32 C33 C34 119.5(5) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C35 C34 C33 120.2(5) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C34 C35 C30 120.2(5) . . ?
C34 C35 H35 119.9 . . ?
C30 C35 H35 119.9 . . ?
C41 C36 C37 119.7(4) . . ?
C41 C36 P2 123.0(4) . . ?
C37 C36 P2 117.2(4) . . ?
C38 C37 C36 119.6(5) . . ?
C38 C37 H37 120.2 . . ?
C36 C37 H37 120.2 . . ?
C39 C38 C37 121.3(5) . . ?
C39 C38 H38 119.4 . . ?
C37 C38 H38 119.4 . . ?
C38 C39 C40 118.9(5) . . ?
C38 C39 H39 120.6 . . ?
C40 C39 H39 120.6 . . ?
C41 C40 C39 120.5(5) . . ?
C41 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C36 C41 C40 120.1(5) . . ?
C36 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C43 C42 C47 119.7(4) . . ?
C43 C42 P2 120.7(3) . . ?
C47 C42 P2 119.5(3) . . ?
C44 C43 C42 120.3(4) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C43 C44 C45 120.4(4) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 H44 119.8 . . ?
C44 C45 C46 119.8(5) . . ?
C44 C45 H45 120.1 . . ?
C46 C45 H45 120.1 . . ?
C45 C46 C47 120.0(5) . . ?
C45 C46 H46 120.0 . . ?
C47 C46 H46 120.0 . . ?
C42 C47 C46 119.7(5) . . ?
C42 C47 H47 120.1 . . ?
C46 C47 H47 120.1 . . ?
C3E O1E C1E 113.2(4) . . ?
O1E C1E C2E 109.8(5) . . ?
O1E C1E H1E1 109.7 . . ?
C2E C1E H1E1 109.7 . . ?
O1E C1E H1E2 109.7 . . ?
C2E C1E H1E2 109.7 . . ?
H1E1 C1E H1E2 108.2 . . ?
C1E C2E H2EA 109.5 . . ?
C1E C2E H2EB 109.5 . . ?
H2EA C2E H2EB 109.5 . . ?
C1E C2E H2EC 109.5 . . ?
H2EA C2E H2EC 109.5 . . ?
H2EB C2E H2EC 109.5 . . ?
O1E C3E C4E 109.8(4) . . ?
O1E C3E H3E1 109.7 . . ?
C4E C3E H3E1 109.7 . . ?
O1E C3E H3E2 109.7 . . ?
C4E C3E H3E2 109.7 . . ?
H3E1 C3E H3E2 108.2 . . ?
C3E C4E H4EA 109.5 . . ?
C3E C4E H4EB 109.5 . . ?
H4EA C4E H4EB 109.5 . . ?
C3E C4E H4EC 109.5 . . ?
H4EA C4E H4EC 109.5 . . ?
H4EB C4E H4EC 109.5 . . ?
Cl1D C1D Cl2D 117.1(6) . . ?
Cl1D C1D H1D1 108.0 . . ?
Cl2D C1D H1D1 108.0 . . ?
Cl1D C1D H1D2 108.0 . . ?
Cl2D C1D H1D2 108.0 . . ?
H1D1 C1D H1D2 107.3 . . ?
Cl1F C1F Cl2F 121.5(11) . . ?
Cl1F C1F H1F1 107.0 . . ?
Cl2F C1F H1F1 107.0 . . ?
Cl1F C1F H1F2 107.0 . . ?
Cl2F C1F H1F2 107.0 . . ?
H1F1 C1F H1F2 106.7 . . ?
H1W O1W H2W 104(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
C24 P1 C1 C6 171.7(3) . . . . ?
C30 P1 C1 C6 -76.6(4) . . . . ?
Au1 P1 C1 C6 49.0(4) . . . . ?
C24 P1 C1 C2 -12.2(4) . . . . ?
C30 P1 C1 C2 99.5(4) . . . . ?
Au1 P1 C1 C2 -134.9(3) . . . . ?
C6 C1 C2 C3 0.2(6) . . . . ?
P1 C1 C2 C3 -176.0(3) . . . . ?
C1 C2 C3 C4 0.3(7) . . . . ?
C2 C3 C4 C5 -0.9(7) . . . . ?
C3 C4 C5 C6 1.0(7) . . . . ?
C4 C5 C6 C1 -0.5(7) . . . . ?
C4 C5 C6 O1 176.6(4) . . . . ?
C2 C1 C6 C5 -0.1(6) . . . . ?
P1 C1 C6 C5 176.2(3) . . . . ?
C2 C1 C6 O1 -177.2(3) . . . . ?
P1 C1 C6 O1 -1.0(5) . . . . ?
C7 O1 C6 C5 56.0(5) . . . . ?
C7 O1 C6 C1 -126.8(4) . . . . ?
C6 O1 C7 C8 37.9(6) . . . . ?
C6 O1 C7 C12 -147.0(4) . . . . ?
O1 C7 C8 C9 176.1(4) . . . . ?
C12 C7 C8 C9 1.2(7) . . . . ?
C7 C8 C9 C10 -0.6(6) . . . . ?
C8 C9 C10 C11 0.1(6) . . . . ?
C9 C10 C11 C12 0.0(6) . . . . ?
C10 C11 C12 C7 0.5(6) . . . . ?
C10 C11 C12 P2 177.9(3) . . . . ?
O1 C7 C12 C11 -176.2(4) . . . . ?
C8 C7 C12 C11 -1.1(7) . . . . ?
O1 C7 C12 P2 6.4(6) . . . . ?
C8 C7 C12 P2 -178.5(3) . . . . ?
C42 P2 C12 C11 -130.5(3) . . . . ?
C13 P2 C12 C11 107.8(3) . . . . ?
C36 P2 C12 C11 -8.4(4) . . . . ?
C42 P2 C12 C7 46.7(4) . . . . ?
C13 P2 C12 C7 -74.9(4) . . . . ?
C36 P2 C12 C7 168.8(4) . . . . ?
C42 P2 C13 C14 -125.1(3) . . . . ?
C36 P2 C13 C14 101.6(3) . . . . ?
C12 P2 C13 C14 -10.5(4) . . . . ?
C42 P2 C13 C18 59.3(4) . . . . ?
C36 P2 C13 C18 -73.9(4) . . . . ?
C12 P2 C13 C18 174.0(3) . . . . ?
C18 C13 C14 C15 0.2(6) . . . . ?
P2 C13 C14 C15 -175.6(3) . . . . ?
C13 C14 C15 C16 -1.4(7) . . . . ?
C14 C15 C16 C17 0.8(8) . . . . ?
C15 C16 C17 C18 1.0(8) . . . . ?
C16 C17 C18 C13 -2.2(7) . . . . ?
C16 C17 C18 C19 177.4(5) . . . . ?
C14 C13 C18 C17 1.6(6) . . . . ?
P2 C13 C18 C17 177.0(3) . . . . ?
C14 C13 C18 C19 -178.0(4) . . . . ?
P2 C13 C18 C19 -2.6(6) . . . . ?
C23 N1 C19 C20 -1.0(7) . . . . ?
C23 N1 C19 C18 -179.2(4) . . . . ?
C17 C18 C19 N1 -162.0(4) . . . . ?
C13 C18 C19 N1 17.6(6) . . . . ?
C17 C18 C19 C20 19.8(7) . . . . ?
C13 C18 C19 C20 -160.6(5) . . . . ?
N1 C19 C20 C21 1.4(8) . . . . ?
C18 C19 C20 C21 179.4(5) . . . . ?
C19 C20 C21 C22 -0.4(8) . . . . ?
C20 C21 C22 C23 -0.9(8) . . . . ?
C19 N1 C23 C22 -0.4(7) . . . . ?
C21 C22 C23 N1 1.4(7) . . . . ?
C1 P1 C24 C29 102.4(4) . . . . ?
C30 P1 C24 C29 -7.9(4) . . . . ?
Au1 P1 C24 C29 -132.0(3) . . . . ?
C1 P1 C24 C25 -78.8(4) . . . . ?
C30 P1 C24 C25 170.9(3) . . . . ?
Au1 P1 C24 C25 46.8(4) . . . . ?
C29 C24 C25 C26 -0.1(6) . . . . ?
P1 C24 C25 C26 -179.0(3) . . . . ?
C24 C25 C26 C27 -0.2(6) . . . . ?
C25 C26 C27 C28 0.1(7) . . . . ?
C26 C27 C28 C29 0.2(7) . . . . ?
C25 C24 C29 C28 0.5(6) . . . . ?
P1 C24 C29 C28 179.3(3) . . . . ?
C27 C28 C29 C24 -0.6(7) . . . . ?
C1 P1 C30 C31 150.2(4) . . . . ?
C24 P1 C30 C31 -99.3(4) . . . . ?
Au1 P1 C30 C31 23.3(4) . . . . ?
C1 P1 C30 C35 -30.5(4) . . . . ?
C24 P1 C30 C35 80.1(4) . . . . ?
Au1 P1 C30 C35 -157.4(3) . . . . ?
C35 C30 C31 C32 -0.4(7) . . . . ?
P1 C30 C31 C32 178.9(4) . . . . ?
C30 C31 C32 C33 0.9(8) . . . . ?
C31 C32 C33 C34 -0.5(8) . . . . ?
C32 C33 C34 C35 -0.4(8) . . . . ?
C33 C34 C35 C30 0.9(7) . . . . ?
C31 C30 C35 C34 -0.5(7) . . . . ?
P1 C30 C35 C34 -179.8(4) . . . . ?
C42 P2 C36 C41 23.6(5) . . . . ?
C13 P2 C36 C41 155.9(4) . . . . ?
C12 P2 C36 C41 -89.8(4) . . . . ?
C42 P2 C36 C37 -160.0(4) . . . . ?
C13 P2 C36 C37 -27.7(4) . . . . ?
C12 P2 C36 C37 86.6(4) . . . . ?
C41 C36 C37 C38 0.3(7) . . . . ?
P2 C36 C37 C38 -176.2(4) . . . . ?
C36 C37 C38 C39 0.0(8) . . . . ?
C37 C38 C39 C40 -0.7(8) . . . . ?
C38 C39 C40 C41 1.0(8) . . . . ?
C37 C36 C41 C40 0.0(7) . . . . ?
P2 C36 C41 C40 176.3(4) . . . . ?
C39 C40 C41 C36 -0.7(8) . . . . ?
C13 P2 C42 C43 2.7(4) . . . . ?
C36 P2 C42 C43 132.9(4) . . . . ?
C12 P2 C42 C43 -113.8(4) . . . . ?
C13 P2 C42 C47 178.5(3) . . . . ?
C36 P2 C42 C47 -51.4(4) . . . . ?
C12 P2 C42 C47 61.9(4) . . . . ?
C47 C42 C43 C44 3.1(6) . . . . ?
P2 C42 C43 C44 178.9(3) . . . . ?
C42 C43 C44 C45 -1.0(7) . . . . ?
C43 C44 C45 C46 -0.4(8) . . . . ?
C44 C45 C46 C47 -0.2(9) . . . . ?
C43 C42 C47 C46 -3.8(7) . . . . ?
P2 C42 C47 C46 -179.5(4) . . . . ?
C45 C46 C47 C42 2.3(9) . . . . ?
C3E O1E C1E C2E -178.4(5) . . . . ?
C1E O1E C3E C4E -177.6(5) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C5 H5 Cl2D^a 0.95 2.83 3.691(6) 151.6 1_545 yes
C5 H5 Cl2F^b 0.95 2.75 3.567(13) 144.9 1_545 yes
C8 H8 O1E 0.95 2.60 3.365(5) 137.7 . yes
C20 H20 Cl1A 0.95 2.66 3.609(5) 177.5 1_546 yes
C22 H22 O1W 0.95 2.43 3.300(6) 152.0 1_546 yes
C29 H29 Cl1 0.95 2.81 3.430(5) 124.0 1_455 yes
C37 H37 Cl1F^b 0.95 2.81 3.430(8) 123.8 1_546 yes
C41 H41 Cl1 0.95 2.89 3.631(6) 135.4 1_545 yes
C3E H3E2 Cl1F^b 0.99 2.85 3.790(9) 159.6 . yes
C4E H4EC Cl2D^a 0.98 2.97 3.734(8) 135.4 . yes
C1D^a H1D2^a Cl1A 0.99 2.54 3.50(1) 162.8 1_655 yes
C1F^b H1F1^b Cl1A 0.99 2.81 3.369(17) 116.2 1_655 yes
O1W H1W O1E 0.855(14) 2.067(16) 2.921(5) 177(5) 1_455 yes
O1W H2W Cl1A 0.855(14) 2.210(15) 3.065(3) 178(5) 1_545 yes

_refine_diff_density_max         0.529
_refine_diff_density_min         -0.550
_refine_diff_density_rms         0.072



####################################################################### 
# 
# 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_c24009s
_database_code_depnum_ccdc_archive 'CCDC 2366026'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin'
;UKy
United States of America
;
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2022). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2024-07-26 deposited with the CCDC.	2024-08-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3

_shelx_SHELXL_version_number     2019/3

# SQUEEZE RESULTS (Version = 130524)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 -0.000 -0.041 0.250 254 89 ' '
2 -0.000 0.041 0.750 254 89 ' '
3 0.500 0.541 0.750 254 89 ' '
4 0.500 0.459 0.250 254 89 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H38 Au Cl N O P2, Cl'
_chemical_formula_sum            'C48 H38 Au Cl2 N O P2'
_chemical_formula_weight         974.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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                   27.5637(5)
_cell_length_b                   10.7433(2)
_cell_length_c                   30.4501(5)
_cell_angle_alpha                90
_cell_angle_beta                 104.352(1)
_cell_angle_gamma                90
_cell_volume                     8735.6(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    100.0(2)
_cell_measurement_reflns_used    9850
_cell_measurement_theta_min      4.55
_cell_measurement_theta_max      74.48

_exptl_crystal_description       'cut block'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_F_000             3872
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    8.421
_shelx_estimated_absorpt_T_min   0.284
_shelx_estimated_absorpt_T_max   0.590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.355
_exptl_absorpt_correction_T_max  0.587
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount, scan truncation etc. These account, by and large, for the difference 
between SHELX estimates of Tmin and Tmax and the _exptl_absorpt_correction_ 
values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 100K. 
;

_diffrn_ambient_temperature      100.0(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            53578
_diffrn_reflns_av_unetI/netI     0.0278
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         3.310
_diffrn_reflns_theta_max         74.799
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.989

_reflns_number_total             8803
_reflns_number_gt                8613
_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       'APEX5 (Bruker-AXS, 2023)'
_computing_cell_refinement       'APEX5 (Bruker-AXS, 2023)'
_computing_data_reduction        'APEX5 (Bruker-AXS, 2023)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_refine_special_details          
;Refinement progress was checked using Platon (Spek, 2020) and by 
an R-tensor (Parkin, 2000). The final model was further checked 
with the IUCr utility checkCIF.,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)+83.6045P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.000058(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8803
_refine_ls_number_parameters     498
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_ref         0.0874
_refine_ls_wR_factor_gt          0.0863
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_restrained_S_all      1.179
_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 0.35535(2) 0.00259(2) 0.47948(2) 0.02274(8) Uani 1 1 d . . . . .
Cl1 Cl 0.30973(4) -0.17080(9) 0.45345(4) 0.0320(2) Uani 1 1 d . . . . .
P1 P 0.39849(3) 0.17189(9) 0.50765(3) 0.0197(2) Uani 1 1 d . . . . .
P2 P 0.31039(3) 0.26537(9) 0.32998(3) 0.01820(19) Uani 1 1 d . U . . .
O1 O 0.39471(10) 0.1997(3) 0.41026(9) 0.0231(6) Uani 1 1 d . . . . .
N1 N 0.21191(15) 0.5682(4) 0.38938(14) 0.0364(9) Uani 1 1 d . . . . .
C1 C 0.45087(16) 0.2116(4) 0.48381(14) 0.0248(8) Uani 1 1 d . . . . .
C2 C 0.49899(15) 0.2342(5) 0.51107(15) 0.0297(10) Uani 1 1 d . . . . .
H2 H 0.505300 0.226168 0.543055 0.036 Uiso 1 1 calc R U . . .
C3 C 0.53750(16) 0.2684(5) 0.49157(17) 0.0352(11) Uani 1 1 d . . . . .
H3 H 0.570162 0.282424 0.510231 0.042 Uiso 1 1 calc R U . . .
C4 C 0.52850(16) 0.2821(5) 0.44490(16) 0.0314(10) Uani 1 1 d . . . . .
H4 H 0.554743 0.308512 0.431886 0.038 Uiso 1 1 calc R U . . .
C5 C 0.48113(15) 0.2574(4) 0.41700(15) 0.0268(9) Uani 1 1 d . . . . .
H5 H 0.475014 0.265184 0.385015 0.032 Uiso 1 1 calc R U . . .
C6 C 0.44333(14) 0.2215(4) 0.43668(14) 0.0226(8) Uani 1 1 d . . . . .
C7 C 0.39030(15) 0.1148(4) 0.37529(14) 0.0227(8) Uani 1 1 d . . . . .
C8 C 0.42102(16) 0.0109(4) 0.37909(16) 0.0283(9) Uani 1 1 d . . . . .
H8 H 0.447211 -0.001679 0.405606 0.034 Uiso 1 1 calc R U . . .
C9 C 0.41307(16) -0.0746(4) 0.34364(16) 0.0294(9) Uani 1 1 d . . . . .
H9 H 0.433971 -0.145939 0.346267 0.035 Uiso 1 1 calc R U . . .
C10 C 0.37557(16) -0.0577(4) 0.30499(16) 0.0287(9) Uani 1 1 d . . . . .
H10 H 0.370864 -0.116281 0.280929 0.034 Uiso 1 1 calc R U . . .
C11 C 0.34473(16) 0.0450(4) 0.30130(15) 0.0251(8) Uani 1 1 d . . . . .
H11 H 0.318371 0.055946 0.274795 0.030 Uiso 1 1 calc R U . . .
C12 C 0.35187(14) 0.1331(4) 0.33617(14) 0.0209(8) Uani 1 1 d . . . . .
C13 C 0.26207(14) 0.2345(4) 0.35903(12) 0.0179(7) Uani 1 1 d . . . . .
C14 C 0.26534(15) 0.1213(4) 0.38257(13) 0.0198(8) Uani 1 1 d . . . . .
H14 H 0.293782 0.069228 0.385249 0.024 Uiso 1 1 calc R U . . .
C15 C 0.22697(15) 0.0857(4) 0.40190(13) 0.0217(8) Uani 1 1 d . . . . .
H15 H 0.229051 0.009072 0.417818 0.026 Uiso 1 1 calc R U . . .
C16 C 0.18567(15) 0.1618(4) 0.39802(14) 0.0252(8) Uani 1 1 d . . . . .
H16 H 0.159284 0.137001 0.411119 0.030 Uiso 1 1 calc R U . . .
C17 C 0.18265(15) 0.2739(4) 0.37508(14) 0.0234(8) Uani 1 1 d . . . . .
H17 H 0.154364 0.326064 0.373202 0.028 Uiso 1 1 calc R U . . .
C18 C 0.22027(14) 0.3121(4) 0.35467(13) 0.0200(8) Uani 1 1 d . . . . .
C19 C 0.21178(15) 0.4296(4) 0.32597(14) 0.0246(8) Uani 1 1 d . . . . .
H19A H 0.244216 0.456433 0.320662 0.030 Uiso 1 1 calc R U . . .
H19B H 0.189172 0.409559 0.296125 0.030 Uiso 1 1 calc R U . . .
C20 C 0.18962(15) 0.5371(4) 0.34652(14) 0.0235(8) Uani 1 1 d . . . . .
C21 C 0.14925(16) 0.6020(4) 0.32083(15) 0.0263(9) Uani 1 1 d . . . . .
H21 H 0.134048 0.576720 0.290661 0.032 Uiso 1 1 calc R U . . .
C22 C 0.13127(18) 0.7032(5) 0.33924(18) 0.0372(11) Uani 1 1 d . . . . .
H22 H 0.103457 0.748839 0.322065 0.045 Uiso 1 1 calc R U . . .
C23 C 0.15425(19) 0.7378(5) 0.38314(18) 0.0369(11) Uani 1 1 d . . . . .
H23 H 0.143086 0.808842 0.396419 0.044 Uiso 1 1 calc R U . . .
C24 C 0.19315(19) 0.6683(5) 0.40705(17) 0.0404(12) Uani 1 1 d . . . . .
H24 H 0.207962 0.690733 0.437608 0.048 Uiso 1 1 calc R U . . .
C25 C 0.36079(15) 0.3121(4) 0.50038(13) 0.0212(8) Uani 1 1 d . . . . .
C26 C 0.38246(14) 0.4291(4) 0.51161(14) 0.0223(8) Uani 1 1 d . . . . .
H26 H 0.417840 0.437661 0.520704 0.027 Uiso 1 1 calc R U . . .
C27 C 0.35175(16) 0.5330(4) 0.50936(14) 0.0252(8) Uani 1 1 d . . . . .
H27 H 0.366301 0.612154 0.518150 0.030 Uiso 1 1 calc R U . . .
C28 C 0.30010(16) 0.5222(4) 0.49441(13) 0.0227(8) Uani 1 1 d . . . . .
H28 H 0.279431 0.593564 0.492973 0.027 Uiso 1 1 calc R U . . .
C29 C 0.27875(15) 0.4065(4) 0.48156(13) 0.0232(8) Uani 1 1 d . . . . .
H29 H 0.243487 0.399268 0.470362 0.028 Uiso 1 1 calc R U . . .
C30 C 0.30870(14) 0.3017(4) 0.48504(12) 0.0187(7) Uani 1 1 d . . . . .
H30 H 0.293856 0.222455 0.476986 0.022 Uiso 1 1 calc R U . . .
C31 C 0.42523(14) 0.1509(4) 0.56816(14) 0.0240(8) Uani 1 1 d . . . . .
C32 C 0.43854(15) 0.2495(4) 0.59876(15) 0.0276(9) Uani 1 1 d . . . . .
H32 H 0.434894 0.333068 0.588279 0.033 Uiso 1 1 calc R U . . .
C33 C 0.45711(17) 0.2243(5) 0.64450(16) 0.0345(10) Uani 1 1 d . . . . .
H33 H 0.465585 0.291309 0.665369 0.041 Uiso 1 1 calc R U . . .
C34 C 0.46347(18) 0.1033(5) 0.66019(17) 0.0378(11) Uani 1 1 d . . . . .
H34 H 0.476621 0.087430 0.691586 0.045 Uiso 1 1 calc R U . . .
C35 C 0.45080(18) 0.0063(5) 0.63046(17) 0.0374(11) Uani 1 1 d . . . . .
H35 H 0.454999 -0.076892 0.641320 0.045 Uiso 1 1 calc R U . . .
C36 C 0.43180(17) 0.0288(4) 0.58441(16) 0.0304(9) Uani 1 1 d . . . . .
H36 H 0.423261 -0.039034 0.563929 0.036 Uiso 1 1 calc R U . . .
C37 C 0.27977(15) 0.2787(4) 0.27050(13) 0.0239(8) Uani 1 1 d . . . . .
C38 C 0.23754(16) 0.2063(4) 0.25318(14) 0.0278(9) Uani 1 1 d . . . . .
H38 H 0.224382 0.154737 0.272788 0.033 Uiso 1 1 calc R U . . .
C39 C 0.2146(2) 0.2097(5) 0.20702(15) 0.0401(12) Uani 1 1 d . . . . .
H39 H 0.186083 0.159350 0.195006 0.048 Uiso 1 1 calc R U . . .
C40 C 0.2332(2) 0.2861(6) 0.17871(16) 0.0477(15) Uani 1 1 d . . . . .
H40 H 0.217245 0.289057 0.147272 0.057 Uiso 1 1 calc R U . . .
C41 C 0.2748(2) 0.3578(5) 0.19581(17) 0.0472(15) Uani 1 1 d . . . . .
H41 H 0.287716 0.408808 0.175890 0.057 Uiso 1 1 calc R U . . .
C42 C 0.29837(19) 0.3569(5) 0.24188(16) 0.0347(11) Uani 1 1 d . . . . .
H42 H 0.326565 0.408619 0.253620 0.042 Uiso 1 1 calc R U . . .
C43 C 0.34771(15) 0.4029(4) 0.35116(13) 0.0213(7) Uani 1 1 d . U . . .
C44 C 0.33421(17) 0.4783(4) 0.38245(14) 0.0263(9) Uani 1 1 d . . . . .
H44 H 0.304978 0.461608 0.392658 0.032 Uiso 1 1 calc R U . . .
C45 C 0.3646(2) 0.5802(4) 0.39886(15) 0.0361(11) Uani 1 1 d . . . . .
H45 H 0.356070 0.634881 0.420283 0.043 Uiso 1 1 calc R U . . .
C46 C 0.4071(2) 0.6014(5) 0.38393(18) 0.0418(13) Uani 1 1 d . . . . .
H46 H 0.427700 0.671042 0.395197 0.050 Uiso 1 1 calc R U . . .
C47 C 0.42014(19) 0.5241(5) 0.3532(2) 0.0457(14) Uani 1 1 d . . . . .
H47 H 0.449763 0.539704 0.343505 0.055 Uiso 1 1 calc R U . . .
C48 C 0.39018(17) 0.4225(4) 0.33613(18) 0.0339(10) Uani 1 1 d . . . . .
H48 H 0.398805 0.368192 0.314647 0.041 Uiso 1 1 calc R U . . .
Cl2 Cl 0.45237(8) 0.55135(17) 0.65756(6) 0.0729(5) Uani 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
Au1 P1 2.2254(10) . ?
Au1 Cl1 2.2771(10) . ?
P1 C25 1.813(4) . ?
P1 C1 1.820(4) . ?
P1 C31 1.821(4) . ?
P2 C13 1.803(4) . ?
P2 C12 1.804(4) . ?
P2 C37 1.804(4) . ?
P2 C43 1.824(4) . ?
O1 C7 1.384(5) . ?
O1 C6 1.401(5) . ?
N1 C20 1.340(6) . ?
N1 C24 1.360(7) . ?
C1 C2 1.401(6) . ?
C1 C6 1.402(6) . ?
C2 C3 1.388(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.389(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.395(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.379(6) . ?
C5 H5 0.9500 . ?
C7 C8 1.388(6) . ?
C7 C12 1.398(6) . ?
C8 C9 1.393(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.373(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.380(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.400(6) . ?
C11 H11 0.9500 . ?
C13 C18 1.402(5) . ?
C13 C14 1.403(5) . ?
C14 C15 1.386(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.382(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.385(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.396(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.520(6) . ?
C19 C20 1.512(6) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.380(6) . ?
C21 C22 1.371(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.381(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.360(8) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.397(6) . ?
C25 C30 1.400(5) . ?
C26 C27 1.392(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.388(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.389(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.385(6) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.398(6) . ?
C31 C32 1.398(6) . ?
C32 C33 1.386(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.382(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.368(8) . ?
C34 H34 0.9500 . ?
C35 C36 1.391(7) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.390(6) . ?
C37 C42 1.397(6) . ?
C38 C39 1.391(6) . ?
C38 H38 0.9500 . ?
C39 C40 1.378(9) . ?
C39 H39 0.9500 . ?
C40 C41 1.372(9) . ?
C40 H40 0.9500 . ?
C41 C42 1.392(7) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.370(6) . ?
C43 C48 1.375(6) . ?
C44 C45 1.395(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.376(8) . ?
C45 H45 0.9500 . ?
C46 C47 1.364(9) . ?
C46 H46 0.9500 . ?
C47 C48 1.389(7) . ?
C47 H47 0.9500 . ?
C48 H48 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
P1 Au1 Cl1 177.41(4) . . ?
C25 P1 C1 104.11(19) . . ?
C25 P1 C31 107.61(19) . . ?
C1 P1 C31 105.70(19) . . ?
C25 P1 Au1 113.39(13) . . ?
C1 P1 Au1 116.01(14) . . ?
C31 P1 Au1 109.42(14) . . ?
C13 P2 C12 109.26(18) . . ?
C13 P2 C37 106.77(18) . . ?
C12 P2 C37 107.10(19) . . ?
C13 P2 C43 113.31(18) . . ?
C12 P2 C43 108.28(18) . . ?
C37 P2 C43 111.92(19) . . ?
C7 O1 C6 116.2(3) . . ?
C20 N1 C24 117.1(4) . . ?
C2 C1 C6 118.1(4) . . ?
C2 C1 P1 122.2(3) . . ?
C6 C1 P1 119.7(3) . . ?
C3 C2 C1 120.3(4) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 120.3(4) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C3 C4 C5 120.4(4) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C4 118.8(4) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
C5 C6 O1 121.0(4) . . ?
C5 C6 C1 122.0(4) . . ?
O1 C6 C1 116.9(4) . . ?
O1 C7 C8 122.0(4) . . ?
O1 C7 C12 117.8(4) . . ?
C8 C7 C12 120.1(4) . . ?
C7 C8 C9 119.4(4) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C10 C9 C8 121.2(4) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
C9 C10 C11 119.6(4) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C10 C11 C12 120.7(4) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C7 C12 C11 119.0(4) . . ?
C7 C12 P2 121.8(3) . . ?
C11 C12 P2 119.2(3) . . ?
C18 C13 C14 120.7(3) . . ?
C18 C13 P2 122.3(3) . . ?
C14 C13 P2 116.6(3) . . ?
C15 C14 C13 119.8(4) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C16 C15 C14 120.0(4) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.2(4) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C18 121.4(4) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C17 C18 C13 117.9(4) . . ?
C17 C18 C19 118.3(4) . . ?
C13 C18 C19 123.7(3) . . ?
C20 C19 C18 114.6(3) . . ?
C20 C19 H19A 108.6 . . ?
C18 C19 H19A 108.6 . . ?
C20 C19 H19B 108.6 . . ?
C18 C19 H19B 108.6 . . ?
H19A C19 H19B 107.6 . . ?
N1 C20 C21 122.5(4) . . ?
N1 C20 C19 117.3(4) . . ?
C21 C20 C19 120.2(4) . . ?
C22 C21 C20 119.4(4) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C21 C22 C23 118.9(4) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
C24 C23 C22 118.8(4) . . ?
C24 C23 H23 120.6 . . ?
C22 C23 H23 120.6 . . ?
N1 C24 C23 123.3(5) . . ?
N1 C24 H24 118.4 . . ?
C23 C24 H24 118.4 . . ?
C26 C25 C30 119.7(4) . . ?
C26 C25 P1 121.4(3) . . ?
C30 C25 P1 118.9(3) . . ?
C27 C26 C25 119.4(4) . . ?
C27 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
C28 C27 C26 120.7(4) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C27 C28 C29 119.7(4) . . ?
C27 C28 H28 120.1 . . ?
C29 C28 H28 120.1 . . ?
C30 C29 C28 120.2(4) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C25 120.2(4) . . ?
C29 C30 H30 119.9 . . ?
C25 C30 H30 119.9 . . ?
C36 C31 C32 119.0(4) . . ?
C36 C31 P1 117.3(3) . . ?
C32 C31 P1 123.7(3) . . ?
C33 C32 C31 119.5(4) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
C34 C33 C32 121.0(5) . . ?
C34 C33 H33 119.5 . . ?
C32 C33 H33 119.5 . . ?
C35 C34 C33 119.9(4) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 120.4(5) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C35 C36 C31 120.2(4) . . ?
C35 C36 H36 119.9 . . ?
C31 C36 H36 119.9 . . ?
C38 C37 C42 120.1(4) . . ?
C38 C37 P2 118.4(3) . . ?
C42 C37 P2 121.4(4) . . ?
C37 C38 C39 119.8(5) . . ?
C37 C38 H38 120.1 . . ?
C39 C38 H38 120.1 . . ?
C40 C39 C38 120.1(5) . . ?
C40 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C41 C40 C39 120.2(5) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C40 C41 C42 121.1(5) . . ?
C40 C41 H41 119.5 . . ?
C42 C41 H41 119.5 . . ?
C41 C42 C37 118.7(5) . . ?
C41 C42 H42 120.6 . . ?
C37 C42 H42 120.6 . . ?
C44 C43 C48 122.7(4) . . ?
C44 C43 P2 119.9(3) . . ?
C48 C43 P2 117.3(3) . . ?
C43 C44 C45 118.1(4) . . ?
C43 C44 H44 121.0 . . ?
C45 C44 H44 121.0 . . ?
C46 C45 C44 119.8(5) . . ?
C46 C45 H45 120.1 . . ?
C44 C45 H45 120.1 . . ?
C47 C46 C45 121.1(5) . . ?
C47 C46 H46 119.5 . . ?
C45 C46 H46 119.5 . . ?
C46 C47 C48 120.2(5) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 H47 119.9 . . ?
C43 C48 C47 118.2(5) . . ?
C43 C48 H48 120.9 . . ?
C47 C48 H48 120.9 . . ?

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
C25 P1 C1 C2 106.1(4) . . . . ?
C31 P1 C1 C2 -7.1(4) . . . . ?
Au1 P1 C1 C2 -128.5(3) . . . . ?
C25 P1 C1 C6 -73.2(4) . . . . ?
C31 P1 C1 C6 173.6(3) . . . . ?
Au1 P1 C1 C6 52.2(4) . . . . ?
C6 C1 C2 C3 1.5(7) . . . . ?
P1 C1 C2 C3 -177.8(4) . . . . ?
C1 C2 C3 C4 0.9(8) . . . . ?
C2 C3 C4 C5 -2.3(8) . . . . ?
C3 C4 C5 C6 1.2(7) . . . . ?
C4 C5 C6 O1 177.8(4) . . . . ?
C4 C5 C6 C1 1.3(7) . . . . ?
C7 O1 C6 C5 54.6(5) . . . . ?
C7 O1 C6 C1 -128.7(4) . . . . ?
C2 C1 C6 C5 -2.6(6) . . . . ?
P1 C1 C6 C5 176.7(3) . . . . ?
C2 C1 C6 O1 -179.3(4) . . . . ?
P1 C1 C6 O1 0.0(5) . . . . ?
C6 O1 C7 C8 34.9(5) . . . . ?
C6 O1 C7 C12 -148.2(4) . . . . ?
O1 C7 C8 C9 176.7(4) . . . . ?
C12 C7 C8 C9 -0.1(6) . . . . ?
C7 C8 C9 C10 0.3(7) . . . . ?
C8 C9 C10 C11 -0.8(7) . . . . ?
C9 C10 C11 C12 1.2(6) . . . . ?
O1 C7 C12 C11 -176.4(3) . . . . ?
C8 C7 C12 C11 0.5(6) . . . . ?
O1 C7 C12 P2 2.1(5) . . . . ?
C8 C7 C12 P2 179.1(3) . . . . ?
C10 C11 C12 C7 -1.0(6) . . . . ?
C10 C11 C12 P2 -179.6(3) . . . . ?
C13 P2 C12 C7 -81.3(4) . . . . ?
C37 P2 C12 C7 163.4(3) . . . . ?
C43 P2 C12 C7 42.6(4) . . . . ?
C13 P2 C12 C11 97.3(3) . . . . ?
C37 P2 C12 C11 -18.0(4) . . . . ?
C43 P2 C12 C11 -138.8(3) . . . . ?
C12 P2 C13 C18 -170.4(3) . . . . ?
C37 P2 C13 C18 -54.9(4) . . . . ?
C43 P2 C13 C18 68.8(4) . . . . ?
C12 P2 C13 C14 2.9(3) . . . . ?
C37 P2 C13 C14 118.4(3) . . . . ?
C43 P2 C13 C14 -117.9(3) . . . . ?
C18 C13 C14 C15 -0.2(6) . . . . ?
P2 C13 C14 C15 -173.6(3) . . . . ?
C13 C14 C15 C16 -0.1(6) . . . . ?
C14 C15 C16 C17 -0.4(6) . . . . ?
C15 C16 C17 C18 1.3(6) . . . . ?
C16 C17 C18 C13 -1.6(6) . . . . ?
C16 C17 C18 C19 173.7(4) . . . . ?
C14 C13 C18 C17 1.0(6) . . . . ?
P2 C13 C18 C17 174.1(3) . . . . ?
C14 C13 C18 C19 -173.9(4) . . . . ?
P2 C13 C18 C19 -0.9(5) . . . . ?
C17 C18 C19 C20 43.7(5) . . . . ?
C13 C18 C19 C20 -141.3(4) . . . . ?
C24 N1 C20 C21 -0.3(7) . . . . ?
C24 N1 C20 C19 177.3(4) . . . . ?
C18 C19 C20 N1 50.7(5) . . . . ?
C18 C19 C20 C21 -131.8(4) . . . . ?
N1 C20 C21 C22 0.8(7) . . . . ?
C19 C20 C21 C22 -176.6(4) . . . . ?
C20 C21 C22 C23 0.2(7) . . . . ?
C21 C22 C23 C24 -1.7(7) . . . . ?
C20 N1 C24 C23 -1.4(8) . . . . ?
C22 C23 C24 N1 2.3(8) . . . . ?
C1 P1 C25 C26 -46.2(4) . . . . ?
C31 P1 C25 C26 65.7(4) . . . . ?
Au1 P1 C25 C26 -173.2(3) . . . . ?
C1 P1 C25 C30 136.6(3) . . . . ?
C31 P1 C25 C30 -111.5(3) . . . . ?
Au1 P1 C25 C30 9.7(4) . . . . ?
C30 C25 C26 C27 2.9(6) . . . . ?
P1 C25 C26 C27 -174.2(3) . . . . ?
C25 C26 C27 C28 -2.5(6) . . . . ?
C26 C27 C28 C29 0.0(6) . . . . ?
C27 C28 C29 C30 2.1(6) . . . . ?
C28 C29 C30 C25 -1.7(6) . . . . ?
C26 C25 C30 C29 -0.8(6) . . . . ?
P1 C25 C30 C29 176.4(3) . . . . ?
C25 P1 C31 C36 146.3(3) . . . . ?
C1 P1 C31 C36 -102.9(3) . . . . ?
Au1 P1 C31 C36 22.7(4) . . . . ?
C25 P1 C31 C32 -32.7(4) . . . . ?
C1 P1 C31 C32 78.1(4) . . . . ?
Au1 P1 C31 C32 -156.3(3) . . . . ?
C36 C31 C32 C33 -1.1(6) . . . . ?
P1 C31 C32 C33 177.8(3) . . . . ?
C31 C32 C33 C34 1.1(7) . . . . ?
C32 C33 C34 C35 -0.8(7) . . . . ?
C33 C34 C35 C36 0.4(7) . . . . ?
C34 C35 C36 C31 -0.4(7) . . . . ?
C32 C31 C36 C35 0.7(6) . . . . ?
P1 C31 C36 C35 -178.3(3) . . . . ?
C13 P2 C37 C38 -33.2(4) . . . . ?
C12 P2 C37 C38 83.8(4) . . . . ?
C43 P2 C37 C38 -157.7(3) . . . . ?
C13 P2 C37 C42 148.5(3) . . . . ?
C12 P2 C37 C42 -94.6(4) . . . . ?
C43 P2 C37 C42 24.0(4) . . . . ?
C42 C37 C38 C39 1.6(6) . . . . ?
P2 C37 C38 C39 -176.7(3) . . . . ?
C37 C38 C39 C40 -1.0(7) . . . . ?
C38 C39 C40 C41 0.8(7) . . . . ?
C39 C40 C41 C42 -1.2(8) . . . . ?
C40 C41 C42 C37 1.8(7) . . . . ?
C38 C37 C42 C41 -2.0(6) . . . . ?
P2 C37 C42 C41 176.3(3) . . . . ?
C13 P2 C43 C44 -7.0(4) . . . . ?
C12 P2 C43 C44 -128.3(3) . . . . ?
C37 P2 C43 C44 113.8(3) . . . . ?
C13 P2 C43 C48 170.0(3) . . . . ?
C12 P2 C43 C48 48.6(4) . . . . ?
C37 P2 C43 C48 -69.2(4) . . . . ?
C48 C43 C44 C45 1.2(6) . . . . ?
P2 C43 C44 C45 178.0(3) . . . . ?
C43 C44 C45 C46 -0.8(6) . . . . ?
C44 C45 C46 C47 -0.1(7) . . . . ?
C45 C46 C47 C48 0.6(8) . . . . ?
C44 C43 C48 C47 -0.7(7) . . . . ?
P2 C43 C48 C47 -177.5(4) . . . . ?
C46 C47 C48 C43 -0.2(7) . . . . ?

_refine_diff_density_max         0.887
_refine_diff_density_min         -1.179
_refine_diff_density_rms         0.106




