# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_1_2CH2Cl2
_database_code_depnum_ccdc_archive 'CCDC 1055489'
_audit_update_record             
;
2015-03-20 deposited with the CCDC.
2016-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C82 H72 Au2 Cl6 O8 P6 Pt'
_chemical_formula_weight         2172.94

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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_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                   24.327(11)
_cell_length_b                   15.586(7)
_cell_length_c                   21.905(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.192(8)
_cell_angle_gamma                90.00
_cell_volume                     8305(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.45
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4224
_exptl_absorpt_coefficient_mu    5.566
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.2004
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            38451
_diffrn_reflns_av_R_equivalents  0.1047
_diffrn_reflns_av_sigmaI/netI    0.0837
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.77
_diffrn_reflns_theta_max         27.51
_reflns_number_total             9327
_reflns_number_gt                8047
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0603P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         9327
_refine_ls_number_parameters     475
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0690
_refine_ls_wR_factor_ref         0.1642
_refine_ls_wR_factor_gt          0.1528
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_restrained_S_all      1.126
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.217288(13) 0.67914(2) 0.118446(13) 0.04437(12) Uani 1 1 d . . .
Pt1 Pt 0.2500 0.7500 0.0000 0.03646(13) Uani 1 2 d S . .
Cl1 Cl 0.13861(13) 0.5792(2) 0.34778(15) 0.0764(8) Uani 1 1 d . . .
P1 P 0.23890(8) 0.80374(15) 0.17114(9) 0.0404(4) Uani 1 1 d . . .
P2 P 0.25471(8) 0.88329(14) 0.04453(9) 0.0383(4) Uani 1 1 d . . .
P3 P 0.19078(9) 0.55196(14) 0.07386(9) 0.0422(5) Uani 1 1 d . . .
O1 O 0.1492(12) 0.6093(9) 0.4012(8) 0.276(14) Uani 1 1 d . . .
O2 O 0.1864(5) 0.5659(9) 0.3159(10) 0.210(9) Uani 1 1 d . . .
O3 O 0.1061(5) 0.6389(8) 0.3172(5) 0.148(5) Uani 1 1 d . . .
O4 O 0.1173(4) 0.4971(7) 0.3537(7) 0.141(5) Uani 1 1 d . . .
C1 C 0.2765(3) 0.8804(5) 0.1241(3) 0.0389(17) Uani 1 1 d . . .
H1A H 0.2721 0.9372 0.1414 0.047 Uiso 1 1 calc R . .
H1B H 0.3153 0.8662 0.1257 0.047 Uiso 1 1 calc R . .
C2 C 0.3113(3) 0.9409(6) 0.0093(4) 0.048(2) Uani 1 1 d . . .
H2A H 0.3454 0.9131 0.0211 0.057 Uiso 1 1 calc R . .
H2B H 0.3121 0.9987 0.0257 0.057 Uiso 1 1 calc R . .
C3 C 0.1777(3) 0.8603(6) 0.1994(4) 0.049(2) Uani 1 1 d . . .
C4 C 0.1321(5) 0.8109(8) 0.2105(5) 0.078(3) Uani 1 1 d . . .
H4A H 0.1324 0.7519 0.2042 0.093 Uiso 1 1 calc R . .
C5 C 0.0860(4) 0.8524(12) 0.2313(7) 0.116(6) Uani 1 1 d . . .
H5A H 0.0544 0.8206 0.2385 0.139 Uiso 1 1 calc R . .
C6 C 0.0851(5) 0.9378(11) 0.2418(6) 0.095(4) Uani 1 1 d . . .
H6A H 0.0526 0.9641 0.2541 0.114 Uiso 1 1 calc R . .
C7 C 0.1311(5) 0.9853(9) 0.2343(6) 0.087(4) Uani 1 1 d . . .
H7A H 0.1315 1.0434 0.2440 0.104 Uiso 1 1 calc R . .
C8 C 0.1777(5) 0.9449(7) 0.2116(5) 0.074(3) Uani 1 1 d . . .
H8A H 0.2094 0.9768 0.2048 0.088 Uiso 1 1 calc R . .
C9 C 0.2852(3) 0.7823(6) 0.2339(4) 0.0440(18) Uani 1 1 d . . .
C10 C 0.2784(4) 0.7066(6) 0.2654(4) 0.062(2) Uani 1 1 d . . .
H10A H 0.2506 0.6686 0.2545 0.074 Uiso 1 1 calc R . .
C11 C 0.3133(5) 0.6878(7) 0.3133(5) 0.075(3) Uani 1 1 d . . .
H11A H 0.3081 0.6376 0.3355 0.090 Uiso 1 1 calc R . .
C12 C 0.3550(5) 0.7411(7) 0.3283(5) 0.070(3) Uani 1 1 d . . .
H12A H 0.3793 0.7260 0.3593 0.084 Uiso 1 1 calc R . .
C13 C 0.3616(4) 0.8170(8) 0.2981(5) 0.068(3) Uani 1 1 d . . .
H13A H 0.3901 0.8538 0.3089 0.082 Uiso 1 1 calc R . .
C14 C 0.3261(4) 0.8387(7) 0.2521(4) 0.063(3) Uani 1 1 d . . .
H14A H 0.3295 0.8917 0.2329 0.076 Uiso 1 1 calc R . .
C15 C 0.1951(3) 0.9520(6) 0.0444(3) 0.0442(18) Uani 1 1 d . . .
C16 C 0.1439(4) 0.9138(7) 0.0511(4) 0.061(2) Uani 1 1 d . . .
H16A H 0.1409 0.8545 0.0547 0.073 Uiso 1 1 calc R . .
C17 C 0.0972(4) 0.9652(9) 0.0523(5) 0.080(3) Uani 1 1 d . . .
H17A H 0.0626 0.9400 0.0550 0.096 Uiso 1 1 calc R . .
C18 C 0.1017(5) 1.0524(8) 0.0495(5) 0.076(3) Uani 1 1 d . . .
H18A H 0.0704 1.0864 0.0513 0.091 Uiso 1 1 calc R . .
C19 C 0.1537(5) 1.0909(7) 0.0437(5) 0.070(3) Uani 1 1 d . . .
H19A H 0.1571 1.1502 0.0412 0.084 Uiso 1 1 calc R . .
C20 C 0.1992(4) 1.0399(6) 0.0420(4) 0.053(2) Uani 1 1 d . . .
H20A H 0.2337 1.0651 0.0392 0.063 Uiso 1 1 calc R . .
C21 C 0.1224(3) 0.5207(6) 0.0965(4) 0.049(2) Uani 1 1 d . . .
C22 C 0.0861(5) 0.4798(8) 0.0597(5) 0.078(3) Uani 1 1 d . . .
H22A H 0.0958 0.4656 0.0200 0.093 Uiso 1 1 calc R . .
C23 C 0.0339(5) 0.4590(11) 0.0817(7) 0.109(5) Uani 1 1 d . . .
H23A H 0.0088 0.4310 0.0565 0.131 Uiso 1 1 calc R . .
C24 C 0.0194(5) 0.4802(10) 0.1410(7) 0.099(5) Uani 1 1 d . . .
H24A H -0.0151 0.4657 0.1561 0.119 Uiso 1 1 calc R . .
C25 C 0.0560(5) 0.5219(8) 0.1764(7) 0.087(4) Uani 1 1 d . . .
H25A H 0.0458 0.5381 0.2157 0.104 Uiso 1 1 calc R . .
C26 C 0.1075(4) 0.5409(8) 0.1563(5) 0.075(3) Uani 1 1 d . . .
H26A H 0.1326 0.5673 0.1824 0.090 Uiso 1 1 calc R . .
C27 C 0.2363(4) 0.4609(6) 0.0902(4) 0.049(2) Uani 1 1 d . . .
C28 C 0.2873(4) 0.4770(8) 0.1156(4) 0.067(3) Uani 1 1 d . . .
H28A H 0.2978 0.5328 0.1252 0.080 Uiso 1 1 calc R . .
C29 C 0.3208(6) 0.4118(9) 0.1261(6) 0.092(4) Uani 1 1 d . . .
H29A H 0.3546 0.4232 0.1443 0.110 Uiso 1 1 calc R . .
C30 C 0.3086(6) 0.3295(12) 0.1118(6) 0.103(5) Uani 1 1 d . . .
H30A H 0.3332 0.2855 0.1207 0.124 Uiso 1 1 calc R . .
C31 C 0.2601(6) 0.3127(8) 0.0844(7) 0.088(4) Uani 1 1 d . . .
H31A H 0.2520 0.2568 0.0725 0.106 Uiso 1 1 calc R . .
C32 C 0.2212(5) 0.3781(7) 0.0735(6) 0.074(3) Uani 1 1 d . . .
H32A H 0.1872 0.3665 0.0559 0.089 Uiso 1 1 calc R . .
C33 C 0.3188(4) 0.7256(6) 0.0444(4) 0.0471(19) Uani 1 1 d . . .
C34 C 0.3606(4) 0.7105(6) 0.0746(4) 0.051(2) Uani 1 1 d . . .
C35 C 0.4094(4) 0.6888(7) 0.1074(4) 0.058(2) Uani 1 1 d . . .
C36 C 0.4383(5) 0.7544(10) 0.1382(6) 0.092(4) Uani 1 1 d U . .
H36A H 0.4251 0.8104 0.1390 0.110 Uiso 1 1 calc R . .
C37 C 0.4874(6) 0.7319(13) 0.1675(7) 0.116(5) Uani 1 1 d U . .
H37A H 0.5080 0.7744 0.1867 0.140 Uiso 1 1 calc R . .
C38 C 0.5059(6) 0.6487(12) 0.1687(6) 0.103(4) Uani 1 1 d U . .
H38A H 0.5381 0.6347 0.1894 0.124 Uiso 1 1 calc R . .
C39 C 0.4761(5) 0.5861(10) 0.1388(6) 0.090(3) Uani 1 1 d U . .
H39A H 0.4887 0.5298 0.1390 0.108 Uiso 1 1 calc R . .
C40 C 0.4289(5) 0.6057(8) 0.1094(5) 0.074(3) Uani 1 1 d U . .
H40A H 0.4091 0.5624 0.0900 0.089 Uiso 1 1 calc R . .
Cl2 Cl 0.5488(4) 0.2197(6) 0.0439(4) 0.227(3) Uani 1 1 d DU . .
Cl3 Cl 0.4660(4) 0.3217(7) 0.0966(5) 0.267(4) Uani 1 1 d DU . .
C41 C 0.4863(9) 0.2155(10) 0.0829(15) 0.295(19) Uani 1 1 d DU . .
H41A H 0.4907 0.1848 0.1211 0.353 Uiso 1 1 calc R . .
H41B H 0.4589 0.1861 0.0584 0.353 Uiso 1 1 calc R . .


_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 P3 2.301(2) . ?
Au1 P1 2.318(2) . ?
Au1 Pt1 2.9323(10) . ?
Pt1 C33 1.970(9) 7_565 ?
Pt1 C33 1.970(9) . ?
Pt1 P2 2.298(2) 7_565 ?
Pt1 P2 2.298(2) . ?
Pt1 Au1 2.9323(10) 7_565 ?
Cl1 O1 1.286(15) . ?
Cl1 O2 1.373(13) . ?
Cl1 O4 1.386(10) . ?
Cl1 O3 1.391(9) . ?
P1 C9 1.805(8) . ?
P1 C1 1.826(8) . ?
P1 C3 1.839(9) . ?
P2 C15 1.803(9) . ?
P2 C2 1.818(8) . ?
P2 C1 1.821(7) . ?
P3 C21 1.803(8) . ?
P3 C2 1.825(8) 7_565 ?
P3 C27 1.835(9) . ?
C2 P3 1.825(8) 7_565 ?
C3 C8 1.346(14) . ?
C3 C4 1.373(13) . ?
C4 C5 1.374(16) . ?
C5 C6 1.35(2) . ?
C6 C7 1.352(18) . ?
C7 C8 1.392(14) . ?
C9 C10 1.377(13) . ?
C9 C14 1.387(12) . ?
C10 C11 1.379(14) . ?
C11 C12 1.351(15) . ?
C12 C13 1.364(15) . ?
C13 C14 1.367(13) . ?
C15 C20 1.374(12) . ?
C15 C16 1.390(12) . ?
C16 C17 1.390(13) . ?
C17 C18 1.365(17) . ?
C18 C19 1.406(16) . ?
C19 C20 1.362(13) . ?
C21 C22 1.353(13) . ?
C21 C26 1.398(13) . ?
C22 C23 1.397(15) . ?
C23 C24 1.39(2) . ?
C24 C25 1.347(19) . ?
C25 C26 1.362(14) . ?
C27 C28 1.380(12) . ?
C27 C32 1.390(13) . ?
C28 C29 1.323(15) . ?
C29 C30 1.35(2) . ?
C30 C31 1.35(2) . ?
C31 C32 1.409(16) . ?
C33 C34 1.234(12) . ?
C34 C35 1.427(11) . ?
C35 C40 1.380(14) . ?
C35 C36 1.411(16) . ?
C36 C37 1.399(16) . ?
C37 C38 1.37(2) . ?
C38 C39 1.38(2) . ?
C39 C40 1.351(15) . ?
Cl2 C41 1.747(10) . ?
Cl3 C41 1.754(10) . ?

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
P3 Au1 P1 174.61(7) . . ?
P3 Au1 Pt1 91.46(6) . . ?
P1 Au1 Pt1 93.63(6) . . ?
C33 Pt1 C33 180.0(6) 7_565 . ?
C33 Pt1 P2 85.6(3) 7_565 7_565 ?
C33 Pt1 P2 94.4(3) . 7_565 ?
C33 Pt1 P2 94.4(3) 7_565 . ?
C33 Pt1 P2 85.6(3) . . ?
P2 Pt1 P2 180.00(10) 7_565 . ?
C33 Pt1 Au1 106.1(2) 7_565 . ?
C33 Pt1 Au1 73.9(2) . . ?
P2 Pt1 Au1 91.25(6) 7_565 . ?
P2 Pt1 Au1 88.75(6) . . ?
C33 Pt1 Au1 73.9(2) 7_565 7_565 ?
C33 Pt1 Au1 106.1(2) . 7_565 ?
P2 Pt1 Au1 88.75(6) 7_565 7_565 ?
P2 Pt1 Au1 91.25(6) . 7_565 ?
Au1 Pt1 Au1 180.000(12) . 7_565 ?
O1 Cl1 O2 110.5(15) . . ?
O1 Cl1 O4 109.1(11) . . ?
O2 Cl1 O4 103.0(8) . . ?
O1 Cl1 O3 107.8(10) . . ?
O2 Cl1 O3 109.7(9) . . ?
O4 Cl1 O3 116.8(8) . . ?
C9 P1 C1 103.8(4) . . ?
C9 P1 C3 109.7(4) . . ?
C1 P1 C3 106.5(4) . . ?
C9 P1 Au1 111.3(3) . . ?
C1 P1 Au1 112.4(3) . . ?
C3 P1 Au1 112.7(3) . . ?
C15 P2 C2 108.4(4) . . ?
C15 P2 C1 104.4(4) . . ?
C2 P2 C1 101.6(3) . . ?
C15 P2 Pt1 119.8(3) . . ?
C2 P2 Pt1 107.6(3) . . ?
C1 P2 Pt1 113.5(3) . . ?
C21 P3 C2 105.5(4) . 7_565 ?
C21 P3 C27 107.1(4) . . ?
C2 P3 C27 104.9(4) 7_565 . ?
C21 P3 Au1 111.9(3) . . ?
C2 P3 Au1 112.2(3) 7_565 . ?
C27 P3 Au1 114.5(3) . . ?
P2 C1 P1 114.3(4) . . ?
P2 C2 P3 115.8(4) . 7_565 ?
C8 C3 C4 120.9(10) . . ?
C8 C3 P1 122.5(8) . . ?
C4 C3 P1 116.5(8) . . ?
C3 C4 C5 117.1(12) . . ?
C6 C5 C4 122.3(12) . . ?
C5 C6 C7 120.3(11) . . ?
C6 C7 C8 118.1(12) . . ?
C3 C8 C7 121.0(11) . . ?
C10 C9 C14 119.1(8) . . ?
C10 C9 P1 117.7(7) . . ?
C14 C9 P1 123.2(7) . . ?
C9 C10 C11 119.3(10) . . ?
C12 C11 C10 120.9(10) . . ?
C11 C12 C13 120.3(10) . . ?
C12 C13 C14 119.8(10) . . ?
C13 C14 C9 120.4(10) . . ?
C20 C15 C16 119.7(8) . . ?
C20 C15 P2 122.3(7) . . ?
C16 C15 P2 117.8(7) . . ?
C17 C16 C15 119.2(10) . . ?
C18 C17 C16 120.5(11) . . ?
C17 C18 C19 120.1(10) . . ?
C20 C19 C18 118.9(10) . . ?
C19 C20 C15 121.5(9) . . ?
C22 C21 C26 119.5(9) . . ?
C22 C21 P3 124.4(8) . . ?
C26 C21 P3 116.1(7) . . ?
C21 C22 C23 119.9(11) . . ?
C24 C23 C22 120.0(12) . . ?
C25 C24 C23 119.0(11) . . ?
C24 C25 C26 121.7(13) . . ?
C25 C26 C21 119.8(12) . . ?
C28 C27 C32 120.7(9) . . ?
C28 C27 P3 118.6(8) . . ?
C32 C27 P3 120.5(8) . . ?
C29 C28 C27 118.9(11) . . ?
C28 C29 C30 123.6(13) . . ?
C31 C30 C29 118.5(12) . . ?
C30 C31 C32 121.4(13) . . ?
C27 C32 C31 116.8(11) . . ?
C34 C33 Pt1 177.2(7) . . ?
C33 C34 C35 176.8(10) . . ?
C40 C35 C36 119.8(10) . . ?
C40 C35 C34 121.5(10) . . ?
C36 C35 C34 118.8(10) . . ?
C37 C36 C35 117.4(14) . . ?
C38 C37 C36 121.6(15) . . ?
C37 C38 C39 119.2(12) . . ?
C40 C39 C38 120.8(14) . . ?
C39 C40 C35 121.2(13) . . ?
Cl2 C41 Cl3 107.2(9) . . ?

_diffrn_measured_fraction_theta_max 0.976
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.976
_refine_diff_density_max         1.985
_refine_diff_density_min         -3.268
_refine_diff_density_rms         0.186
####################################################################### 
# 
# 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_2_3CH2Cl2
_database_code_depnum_ccdc_archive 'CCDC 1055490'
_audit_update_record             
;
2015-03-20 deposited with the CCDC.
2016-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C91 H90 Au2 Cl8 O8 P6 Pt'
_chemical_formula_weight         2370.07

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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   I4(1)/a

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                   38.1049(9)
_cell_length_b                   38.1049(9)
_cell_length_c                   14.2257(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     20655.5(12)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             9296
_exptl_absorpt_coefficient_mu    4.533
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.2150
_exptl_absorpt_correction_T_max  0.4865
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            74831
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_av_sigmaI/netI    0.0423
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         27.51
_reflns_number_total             11678
_reflns_number_gt                9468
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
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 0.250 0.125 680 129 ' '
2 0.000 0.750 -0.125 680 129 ' '
3 0.250 0.500 0.912 528 107 ' '
4 0.250 1.000 0.088 527 107 ' '
5 0.500 0.250 0.375 680 129 ' '
6 0.500 0.750 0.625 680 129 ' '
7 0.750 0.500 0.588 527 107 ' '
8 0.750 1.000 0.412 528 107 ' '
_platon_squeeze_details          
;
The unit cell contains 24 methylene chloride molecules which have been treated 
as a diffuse contribution to the overall scattering without specific atom 
positions by SQUEEZE/PLATON.                
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0694P)²+19.5622P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         11678
_refine_ls_number_parameters     586
_refine_ls_number_restraints     304
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0468
_refine_ls_wR_factor_ref         0.1291
_refine_ls_wR_factor_gt          0.1219
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.059
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.315152(5) 0.731767(6) 0.149222(14) 0.04484(8) Uani 1 1 d . B .
Pt1 Pt 0.2500 0.7500 0.2500 0.03200(8) Uani 1 2 d S . .
Cl1 Cl 0.41054(7) 0.59338(7) 0.69494(15) 0.0951(7) Uani 1 1 d D . .
P1 P 0.35053(3) 0.74449(4) 0.27685(10) 0.0432(3) Uani 1 1 d . . .
P2 P 0.28225(3) 0.75207(3) 0.38715(8) 0.0352(3) Uani 1 1 d . . .
P3 P 0.28417(4) 0.72128(4) 0.01267(9) 0.0413(3) Uani 1 1 d . . .
O1 O 0.4072(4) 0.5963(5) 0.7913(8) 0.137(5) Uani 0.558(10) 1 d PDU A 1
O2 O 0.3930(6) 0.6188(4) 0.6469(14) 0.162(8) Uani 0.558(10) 1 d PDU A 1
O3 O 0.4467(4) 0.5915(6) 0.6707(15) 0.133(7) Uani 0.558(10) 1 d PDU A 1
O4 O 0.3968(5) 0.5590(4) 0.6688(13) 0.185(6) Uani 0.558(10) 1 d PDU A 1
O1' O 0.4195(5) 0.6230(5) 0.7462(13) 0.156(6) Uani 0.442(10) 1 d PDU A 2
O2' O 0.4393(6) 0.5767(6) 0.6573(19) 0.124(8) Uani 0.442(10) 1 d PDU A 2
O3' O 0.3853(7) 0.6010(6) 0.6292(17) 0.166(9) Uani 0.442(10) 1 d PDU A 2
O4' O 0.3951(5) 0.5693(5) 0.7617(15) 0.158(5) Uani 0.442(10) 1 d PDU A 2
C1 C 0.32681(13) 0.76871(13) 0.3675(4) 0.0405(11) Uani 1 1 d . B .
H1A H 0.3255 0.7932 0.3494 0.049 Uiso 1 1 calc R . .
H1B H 0.3398 0.7674 0.4259 0.049 Uiso 1 1 calc R . .
C2 C 0.26269(14) 0.78489(14) 0.4642(4) 0.0432(11) Uani 1 1 d . . .
H2A H 0.2661 0.8079 0.4363 0.052 Uiso 1 1 calc R . .
H2B H 0.2751 0.7846 0.5237 0.052 Uiso 1 1 calc R . .
C3 C 0.38650(15) 0.77405(17) 0.2458(4) 0.0583(14) Uani 0.511(9) 1 d PDU B 1
C4 C 0.3891(3) 0.7838(4) 0.1529(9) 0.070(3) Uani 0.511(9) 1 d PDU B 1
H4A H 0.3719 0.7779 0.1093 0.083 Uiso 0.511(9) 1 calc PR B 1
C5 C 0.4188(5) 0.8030(5) 0.1272(12) 0.103(5) Uani 0.511(9) 1 d PDU B 1
H5A H 0.4248 0.8050 0.0640 0.124 Uiso 0.511(9) 1 calc PR B 1
C6 C 0.4393(3) 0.8189(3) 0.1936(8) 0.121(3) Uani 0.511(9) 1 d PDU B 1
H6A H 0.4585 0.8324 0.1752 0.145 Uiso 0.511(9) 1 calc PR B 1
C7 C 0.4317(4) 0.8151(5) 0.2862(12) 0.103(5) Uani 0.511(9) 1 d PDU B 1
H7A H 0.4448 0.8269 0.3315 0.124 Uiso 0.511(9) 1 calc PR B 1
C8 C 0.4041(4) 0.7933(4) 0.3123(10) 0.080(4) Uani 0.511(9) 1 d PDU B 1
H8A H 0.3974 0.7918 0.3751 0.096 Uiso 0.511(9) 1 calc PR B 1
C3' C 0.38650(15) 0.77405(17) 0.2458(4) 0.0583(14) Uani 0.489(9) 1 d PDU B 2
C4' C 0.4215(3) 0.7634(5) 0.2568(16) 0.111(6) Uani 0.489(9) 1 d PDU B 2
H4'A H 0.4270 0.7412 0.2799 0.133 Uiso 0.489(9) 1 calc PR B 2
C5' C 0.4478(4) 0.7869(5) 0.232(2) 0.137(7) Uani 0.489(9) 1 d PDU B 2
H5'A H 0.4712 0.7810 0.2421 0.165 Uiso 0.489(9) 1 calc PR B 2
C6' C 0.4393(3) 0.8189(3) 0.1936(8) 0.121(3) Uani 0.489(9) 1 d PDU B 2
H6'A H 0.4569 0.8338 0.1723 0.145 Uiso 0.489(9) 1 calc PR B 2
C7' C 0.4052(4) 0.8288(5) 0.1863(18) 0.119(7) Uani 0.489(9) 1 d PDU B 2
H7'A H 0.3996 0.8515 0.1674 0.143 Uiso 0.489(9) 1 calc PR B 2
C8' C 0.3788(4) 0.8053(4) 0.2071(13) 0.085(5) Uani 0.489(9) 1 d PDU B 2
H8'A H 0.3556 0.8110 0.1941 0.102 Uiso 0.489(9) 1 calc PR B 2
C9 C 0.36898(15) 0.70582(16) 0.3304(4) 0.0537(14) Uani 1 1 d . B .
C10 C 0.38179(19) 0.7064(2) 0.4232(5) 0.075(2) Uani 1 1 d . . .
H10A H 0.3820 0.7271 0.4578 0.091 Uiso 1 1 calc R B .
C11 C 0.3942(2) 0.6751(3) 0.4621(7) 0.097(3) Uani 1 1 d . B .
H11A H 0.4023 0.6747 0.5238 0.116 Uiso 1 1 calc R . .
C12 C 0.3945(3) 0.6447(3) 0.4087(9) 0.118(4) Uani 1 1 d . . .
H12A H 0.4032 0.6241 0.4354 0.141 Uiso 1 1 calc R B .
C13 C 0.3826(3) 0.6438(2) 0.3189(8) 0.103(3) Uani 1 1 d . B .
H13A H 0.3833 0.6231 0.2843 0.124 Uiso 1 1 calc R . .
C14 C 0.3692(2) 0.67436(19) 0.2794(6) 0.0748(19) Uani 1 1 d . . .
H14A H 0.3604 0.6739 0.2185 0.090 Uiso 1 1 calc R B .
C15 C 0.29062(14) 0.71363(14) 0.4589(4) 0.0451(12) Uani 1 1 d . B .
C16 C 0.29204(15) 0.68071(15) 0.4198(4) 0.0516(13) Uani 1 1 d . . .
H16A H 0.2854 0.6778 0.3574 0.062 Uiso 1 1 calc R B .
C17 C 0.3029(2) 0.65212(18) 0.4703(6) 0.075(2) Uani 1 1 d . B .
H17A H 0.3053 0.6304 0.4414 0.090 Uiso 1 1 calc R . .
C18 C 0.3103(2) 0.6561(2) 0.5656(6) 0.083(2) Uani 1 1 d . . .
H18A H 0.3161 0.6367 0.6019 0.099 Uiso 1 1 calc R B .
C19 C 0.3090(3) 0.6890(2) 0.6059(5) 0.089(3) Uani 1 1 d . B .
H19A H 0.3147 0.6917 0.6691 0.107 Uiso 1 1 calc R . .
C20 C 0.2995(2) 0.71766(19) 0.5543(4) 0.0681(19) Uani 1 1 d . . .
H20A H 0.2990 0.7398 0.5820 0.082 Uiso 1 1 calc R B .
C21 C 0.28878(15) 0.75814(14) -0.0671(4) 0.0462(12) Uani 1 1 d . B .
C22 C 0.2860(2) 0.75374(18) -0.1637(4) 0.0698(19) Uani 1 1 d . . .
H22A H 0.2812 0.7317 -0.1889 0.084 Uiso 1 1 calc R B .
C23 C 0.2904(3) 0.7826(2) -0.2222(5) 0.088(2) Uani 1 1 d . B .
H23A H 0.2884 0.7796 -0.2869 0.105 Uiso 1 1 calc R . .
C24 C 0.2977(2) 0.81524(19) -0.1869(5) 0.076(2) Uani 1 1 d . . .
H24A H 0.3011 0.8342 -0.2272 0.091 Uiso 1 1 calc R B .
C25 C 0.2998(2) 0.81963(18) -0.0922(5) 0.0711(19) Uani 1 1 d . B .
H25A H 0.3038 0.8419 -0.0676 0.085 Uiso 1 1 calc R . .
C26 C 0.29607(18) 0.79101(16) -0.0314(4) 0.0595(15) Uani 1 1 d . . .
H26A H 0.2985 0.7941 0.0331 0.071 Uiso 1 1 calc R B .
C27 C 0.29764(16) 0.68361(16) -0.0570(4) 0.0518(13) Uani 1 1 d . B .
C28 C 0.27481(19) 0.66264(17) -0.1050(5) 0.0626(16) Uani 1 1 d . . .
H28A H 0.2507 0.6655 -0.0976 0.075 Uiso 1 1 calc R B .
C29 C 0.2880(2) 0.6367(2) -0.1658(5) 0.079(2) Uani 1 1 d . B .
H29A H 0.2725 0.6228 -0.2002 0.094 Uiso 1 1 calc R . .
C30 C 0.3232(3) 0.63177(19) -0.1746(5) 0.082(2) Uani 1 1 d . . .
H30A H 0.3317 0.6141 -0.2134 0.099 Uiso 1 1 calc R B .
C31 C 0.3457(2) 0.6524(2) -0.1274(6) 0.074(2) Uani 1 1 d . B .
H31A H 0.3697 0.6491 -0.1351 0.088 Uiso 1 1 calc R . .
C32 C 0.33371(19) 0.67864(17) -0.0669(5) 0.0695(18) Uani 1 1 d . . .
H32A H 0.3495 0.6926 -0.0338 0.083 Uiso 1 1 calc R B .
C33 C 0.27045(13) 0.79807(13) 0.2246(4) 0.0408(11) Uani 1 1 d . . .
C34 C 0.28356(14) 0.82566(13) 0.2082(4) 0.0446(12) Uani 1 1 d . B .
C35 C 0.29660(14) 0.86028(13) 0.1819(4) 0.0462(12) Uani 1 1 d . . .
C36 C 0.28476(17) 0.87606(15) 0.0999(5) 0.0584(15) Uani 1 1 d . B .
H36A H 0.2686 0.8643 0.0623 0.070 Uiso 1 1 calc R . .
C37 C 0.29626(17) 0.90844(15) 0.0733(5) 0.0573(15) Uani 1 1 d . . .
H37A H 0.2879 0.9181 0.0175 0.069 Uiso 1 1 calc R B .
C38 C 0.31982(15) 0.92735(15) 0.1264(4) 0.0546(14) Uani 1 1 d D B .
C39 C 0.3320(2) 0.91142(18) 0.2079(5) 0.077(2) Uani 1 1 d . . .
H39A H 0.3486 0.9230 0.2444 0.092 Uiso 1 1 calc R B .
C40 C 0.32020(19) 0.87895(18) 0.2360(5) 0.070(2) Uani 1 1 d . B .
H40A H 0.3282 0.8694 0.2923 0.084 Uiso 1 1 calc R . .
C41 C 0.33307(18) 0.96403(17) 0.0979(5) 0.0757(18) Uani 1 1 d DU . .
C42 C 0.3133(3) 0.9797(3) 0.0163(9) 0.105(4) Uani 0.767(12) 1 d PDU B 1
H42A H 0.3229 1.0023 0.0015 0.157 Uiso 0.767(12) 1 calc PR B 1
H42B H 0.2890 0.9821 0.0328 0.157 Uiso 0.767(12) 1 calc PR B 1
H42C H 0.3154 0.9645 -0.0374 0.157 Uiso 0.767(12) 1 calc PR B 1
C43 C 0.3731(2) 0.9615(3) 0.0742(11) 0.104(4) Uani 0.767(12) 1 d PDU B 1
H43A H 0.3855 0.9524 0.1276 0.156 Uiso 0.767(12) 1 calc PR B 1
H43B H 0.3819 0.9844 0.0591 0.156 Uiso 0.767(12) 1 calc PR B 1
H43C H 0.3764 0.9461 0.0215 0.156 Uiso 0.767(12) 1 calc PR B 1
C44 C 0.3299(4) 0.9894(2) 0.1856(9) 0.111(4) Uani 0.767(12) 1 d PDU B 1
H44A H 0.3433 0.9801 0.2370 0.167 Uiso 0.767(12) 1 calc PR B 1
H44B H 0.3058 0.9914 0.2037 0.167 Uiso 0.767(12) 1 calc PR B 1
H44C H 0.3389 1.0122 0.1691 0.167 Uiso 0.767(12) 1 calc PR B 1
C42' C 0.3697(5) 0.9721(7) 0.134(3) 0.095(6) Uani 0.233(12) 1 d PDU B 2
H42D H 0.3702 0.9699 0.2009 0.142 Uiso 0.233(12) 1 calc PR B 2
H42E H 0.3760 0.9957 0.1165 0.142 Uiso 0.233(12) 1 calc PR B 2
H42F H 0.3861 0.9560 0.1064 0.142 Uiso 0.233(12) 1 calc PR B 2
C43' C 0.3064(8) 0.9922(4) 0.130(3) 0.102(5) Uani 0.233(12) 1 d PDU B 2
H43D H 0.3044 0.9917 0.1968 0.153 Uiso 0.233(12) 1 calc PR B 2
H43E H 0.2840 0.9873 0.1018 0.153 Uiso 0.233(12) 1 calc PR B 2
H43F H 0.3144 1.0149 0.1097 0.153 Uiso 0.233(12) 1 calc PR B 2
C44' C 0.3341(10) 0.9655(7) -0.0150(14) 0.091(5) Uani 0.233(12) 1 d PDU B 2
H44D H 0.3493 0.9474 -0.0382 0.137 Uiso 0.233(12) 1 calc PR B 2
H44E H 0.3428 0.9880 -0.0348 0.137 Uiso 0.233(12) 1 calc PR B 2
H44F H 0.3109 0.9620 -0.0394 0.137 Uiso 0.233(12) 1 calc PR B 2


_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 P3 2.3081(14) . ?
Au1 P1 2.3126(14) . ?
Au1 Pt1 2.9498(2) . ?
Pt1 C33 2.023(5) . ?
Pt1 C33 2.023(5) 13_565 ?
Pt1 P2 2.3072(12) 13_565 ?
Pt1 P2 2.3072(12) . ?
Pt1 Au1 2.9498(2) 13_565 ?
Cl1 O2 1.361(12) . ?
Cl1 O3' 1.373(15) . ?
Cl1 O2' 1.377(15) . ?
Cl1 O1 1.381(11) . ?
Cl1 O1' 1.387(14) . ?
Cl1 O3 1.421(14) . ?
Cl1 O4' 1.446(14) . ?
Cl1 O4 1.458(13) . ?
P1 C9 1.801(6) . ?
P1 C1 1.825(5) . ?
P1 C3 1.828(6) . ?
P2 C15 1.814(5) . ?
P2 C2 1.823(5) . ?
P2 C1 1.834(5) . ?
P3 C21 1.814(6) . ?
P3 C27 1.818(6) . ?
P3 C2 1.831(5) 13_565 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 P3 1.831(5) 13_565 ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C8 1.372(13) . ?
C3 C4 1.378(12) . ?
C4 C5 1.395(15) . ?
C4 H4A 0.9300 . ?
C5 C6 1.366(18) . ?
C5 H5A 0.9300 . ?
C6 C7 1.356(15) . ?
C6 H6A 0.9300 . ?
C7 C8 1.394(14) . ?
C7 H7A 0.9300 . ?
C8 H8A 0.9300 . ?
C4' C5' 1.387(16) . ?
C4' H4'A 0.9300 . ?
C5' H5'A 0.9300 . ?
C7' C8' 1.380(14) . ?
C7' H7'A 0.9300 . ?
C8' H8'A 0.9300 . ?
C9 C14 1.401(10) . ?
C9 C10 1.408(10) . ?
C10 C11 1.397(11) . ?
C10 H10A 0.9300 . ?
C11 C12 1.387(14) . ?
C11 H11A 0.9300 . ?
C12 C13 1.357(15) . ?
C12 H12A 0.9300 . ?
C13 C14 1.388(11) . ?
C13 H13A 0.9300 . ?
C14 H14A 0.9300 . ?
C15 C16 1.373(8) . ?
C15 C20 1.408(8) . ?
C16 C17 1.369(8) . ?
C16 H16A 0.9300 . ?
C17 C18 1.393(11) . ?
C17 H17A 0.9300 . ?
C18 C19 1.379(11) . ?
C18 H18A 0.9300 . ?
C19 C20 1.364(9) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C26 1.379(8) . ?
C21 C22 1.388(8) . ?
C22 C23 1.388(10) . ?
C22 H22A 0.9300 . ?
C23 C24 1.371(10) . ?
C23 H23A 0.9300 . ?
C24 C25 1.360(10) . ?
C24 H24A 0.9300 . ?
C25 C26 1.399(9) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 C28 1.365(9) . ?
C27 C32 1.394(9) . ?
C28 C29 1.406(9) . ?
C28 H28A 0.9300 . ?
C29 C30 1.360(12) . ?
C29 H29A 0.9300 . ?
C30 C31 1.343(12) . ?
C30 H30A 0.9300 . ?
C31 C32 1.397(9) . ?
C31 H31A 0.9300 . ?
C32 H32A 0.9300 . ?
C33 C34 1.187(7) . ?
C34 C35 1.459(7) . ?
C35 C40 1.382(8) . ?
C35 C36 1.387(8) . ?
C36 C37 1.363(8) . ?
C36 H36A 0.9300 . ?
C37 C38 1.377(8) . ?
C37 H37A 0.9300 . ?
C38 C39 1.389(9) . ?
C38 C41 1.540(8) . ?
C39 C40 1.376(8) . ?
C39 H39A 0.9300 . ?
C40 H40A 0.9300 . ?
C41 C42 1.508(10) . ?
C41 C42' 1.517(12) . ?
C41 C43' 1.543(15) . ?
C41 C43 1.565(10) . ?
C41 C44 1.583(11) . ?
C41 C44' 1.61(2) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C42' H42D 0.9600 . ?
C42' H42E 0.9600 . ?
C42' H42F 0.9600 . ?
C43' H43D 0.9600 . ?
C43' H43E 0.9600 . ?
C43' H43F 0.9600 . ?
C44' H44D 0.9600 . ?
C44' H44E 0.9600 . ?
C44' H44F 0.9600 . ?

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
P3 Au1 P1 174.38(5) . . ?
P3 Au1 Pt1 91.10(3) . . ?
P1 Au1 Pt1 93.42(3) . . ?
C33 Pt1 C33 180.000(1) . 13_565 ?
C33 Pt1 P2 94.87(15) . 13_565 ?
C33 Pt1 P2 85.13(15) 13_565 13_565 ?
C33 Pt1 P2 85.13(15) . . ?
C33 Pt1 P2 94.87(15) 13_565 . ?
P2 Pt1 P2 180.0 13_565 . ?
C33 Pt1 Au1 78.59(15) . . ?
C33 Pt1 Au1 101.41(15) 13_565 . ?
P2 Pt1 Au1 91.67(3) 13_565 . ?
P2 Pt1 Au1 88.33(3) . . ?
C33 Pt1 Au1 101.41(15) . 13_565 ?
C33 Pt1 Au1 78.59(15) 13_565 13_565 ?
P2 Pt1 Au1 88.33(3) 13_565 13_565 ?
P2 Pt1 Au1 91.67(3) . 13_565 ?
Au1 Pt1 Au1 180.000(1) . 13_565 ?
O2 Cl1 O3' 33.1(12) . . ?
O2 Cl1 O2' 121.7(19) . . ?
O3' Cl1 O2' 113.1(11) . . ?
O2 Cl1 O1 113.3(9) . . ?
O3' Cl1 O1 126.4(16) . . ?
O2' Cl1 O1 119.8(15) . . ?
O2 Cl1 O1' 78.8(12) . . ?
O3' Cl1 O1' 110.9(10) . . ?
O2' Cl1 O1' 112.7(11) . . ?
O1 Cl1 O1' 55.6(9) . . ?
O2 Cl1 O3 112.9(10) . . ?
O3' Cl1 O3 122(2) . . ?
O2' Cl1 O3 27.2(15) . . ?
O1 Cl1 O3 109.6(10) . . ?
O1' Cl1 O3 86.0(13) . . ?
O2 Cl1 O4' 125.6(15) . . ?
O3' Cl1 O4' 107.3(11) . . ?
O2' Cl1 O4' 106.6(10) . . ?
O1 Cl1 O4' 50.3(8) . . ?
O1' Cl1 O4' 105.7(9) . . ?
O3 Cl1 O4' 121.5(14) . . ?
O2 Cl1 O4 109.6(9) . . ?
O3' Cl1 O4 76.5(12) . . ?
O2' Cl1 O4 76.7(13) . . ?
O1 Cl1 O4 107.0(9) . . ?
O1' Cl1 O4 162.4(10) . . ?
O3 Cl1 O4 103.9(8) . . ?
O4' Cl1 O4 56.8(10) . . ?
C9 P1 C1 108.0(3) . . ?
C9 P1 C3 108.3(3) . . ?
C1 P1 C3 103.3(3) . . ?
C9 P1 Au1 112.8(2) . . ?
C1 P1 Au1 111.84(18) . . ?
C3 P1 Au1 112.1(2) . . ?
C15 P2 C2 106.7(3) . . ?
C15 P2 C1 101.7(2) . . ?
C2 P2 C1 103.5(2) . . ?
C15 P2 Pt1 122.81(19) . . ?
C2 P2 Pt1 108.33(18) . . ?
C1 P2 Pt1 112.08(17) . . ?
C21 P3 C27 104.1(3) . . ?
C21 P3 C2 107.8(3) . 13_565 ?
C27 P3 C2 105.8(3) . 13_565 ?
C21 P3 Au1 110.04(19) . . ?
C27 P3 Au1 116.8(2) . . ?
C2 P3 Au1 111.72(18) 13_565 . ?
P1 C1 P2 113.0(3) . . ?
P1 C1 H1A 109.0 . . ?
P2 C1 H1A 109.0 . . ?
P1 C1 H1B 109.0 . . ?
P2 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
P2 C2 P3 114.7(3) . 13_565 ?
P2 C2 H2A 108.6 . . ?
P3 C2 H2A 108.6 13_565 . ?
P2 C2 H2B 108.6 . . ?
P3 C2 H2B 108.6 13_565 . ?
H2A C2 H2B 107.6 . . ?
C8 C3 C4 118.8(9) . . ?
C8 C3 P1 121.9(6) . . ?
C4 C3 P1 116.9(7) . . ?
C3 C4 C5 116.9(12) . . ?
C3 C4 H4A 121.6 . . ?
C5 C4 H4A 121.6 . . ?
C6 C5 C4 120.9(12) . . ?
C6 C5 H5A 119.5 . . ?
C4 C5 H5A 119.5 . . ?
C7 C6 C5 120.2(9) . . ?
C7 C6 H6A 119.9 . . ?
C5 C6 H6A 119.9 . . ?
C6 C7 C8 118.9(12) . . ?
C6 C7 H7A 120.6 . . ?
C8 C7 H7A 120.6 . . ?
C3 C8 C7 120.3(12) . . ?
C3 C8 H8A 119.8 . . ?
C7 C8 H8A 119.8 . . ?
C5' C4' H4'A 120.9 . . ?
C4' C5' H5'A 120.0 . . ?
C8' C7' H7'A 120.0 . . ?
C7' C8' H8'A 119.9 . . ?
C14 C9 C10 119.8(6) . . ?
C14 C9 P1 118.9(5) . . ?
C10 C9 P1 121.2(5) . . ?
C11 C10 C9 118.3(8) . . ?
C11 C10 H10A 120.8 . . ?
C9 C10 H10A 120.8 . . ?
C12 C11 C10 120.1(9) . . ?
C12 C11 H11A 120.0 . . ?
C10 C11 H11A 120.0 . . ?
C13 C12 C11 122.1(9) . . ?
C13 C12 H12A 118.9 . . ?
C11 C12 H12A 118.9 . . ?
C12 C13 C14 119.0(9) . . ?
C12 C13 H13A 120.5 . . ?
C14 C13 H13A 120.5 . . ?
C13 C14 C9 120.7(8) . . ?
C13 C14 H14A 119.7 . . ?
C9 C14 H14A 119.7 . . ?
C16 C15 C20 118.7(5) . . ?
C16 C15 P2 121.2(4) . . ?
C20 C15 P2 119.8(4) . . ?
C17 C16 C15 121.8(6) . . ?
C17 C16 H16A 119.1 . . ?
C15 C16 H16A 119.1 . . ?
C16 C17 C18 118.9(7) . . ?
C16 C17 H17A 120.5 . . ?
C18 C17 H17A 120.5 . . ?
C19 C18 C17 119.8(6) . . ?
C19 C18 H18A 120.1 . . ?
C17 C18 H18A 120.1 . . ?
C20 C19 C18 120.8(7) . . ?
C20 C19 H19A 119.6 . . ?
C18 C19 H19A 119.6 . . ?
C19 C20 C15 119.7(7) . . ?
C19 C20 H20A 120.1 . . ?
C15 C20 H20A 120.1 . . ?
C26 C21 C22 119.2(5) . . ?
C26 C21 P3 119.5(4) . . ?
C22 C21 P3 121.2(4) . . ?
C23 C22 C21 119.3(6) . . ?
C23 C22 H22A 120.4 . . ?
C21 C22 H22A 120.4 . . ?
C24 C23 C22 121.6(7) . . ?
C24 C23 H23A 119.2 . . ?
C22 C23 H23A 119.2 . . ?
C25 C24 C23 119.1(6) . . ?
C25 C24 H24A 120.4 . . ?
C23 C24 H24A 120.4 . . ?
C24 C25 C26 120.7(6) . . ?
C24 C25 H25A 119.7 . . ?
C26 C25 H25A 119.7 . . ?
C21 C26 C25 120.1(6) . . ?
C21 C26 H26A 120.0 . . ?
C25 C26 H26A 120.0 . . ?
C28 C27 C32 119.9(6) . . ?
C28 C27 P3 123.7(5) . . ?
C32 C27 P3 116.1(5) . . ?
C27 C28 C29 119.5(7) . . ?
C27 C28 H28A 120.2 . . ?
C29 C28 H28A 120.2 . . ?
C30 C29 C28 120.3(7) . . ?
C30 C29 H29A 119.8 . . ?
C28 C29 H29A 119.8 . . ?
C31 C30 C29 120.2(6) . . ?
C31 C30 H30A 119.9 . . ?
C29 C30 H30A 119.9 . . ?
C30 C31 C32 121.3(7) . . ?
C30 C31 H31A 119.4 . . ?
C32 C31 H31A 119.4 . . ?
C27 C32 C31 118.7(7) . . ?
C27 C32 H32A 120.6 . . ?
C31 C32 H32A 120.6 . . ?
C34 C33 Pt1 177.5(5) . . ?
C33 C34 C35 174.1(6) . . ?
C40 C35 C36 117.2(5) . . ?
C40 C35 C34 123.0(5) . . ?
C36 C35 C34 119.8(5) . . ?
C37 C36 C35 121.4(6) . . ?
C37 C36 H36A 119.3 . . ?
C35 C36 H36A 119.3 . . ?
C36 C37 C38 122.1(6) . . ?
C36 C37 H37A 119.0 . . ?
C38 C37 H37A 119.0 . . ?
C37 C38 C39 116.6(5) . . ?
C37 C38 C41 123.0(5) . . ?
C39 C38 C41 120.5(5) . . ?
C40 C39 C38 121.8(6) . . ?
C40 C39 H39A 119.1 . . ?
C38 C39 H39A 119.1 . . ?
C39 C40 C35 120.9(6) . . ?
C39 C40 H40A 119.5 . . ?
C35 C40 H40A 119.5 . . ?
C42 C41 C42' 129.7(12) . . ?
C42 C41 C38 113.4(6) . . ?
C42' C41 C38 113.4(10) . . ?
C42 C41 C43' 67.7(14) . . ?
C42' C41 C43' 111.5(12) . . ?
C38 C41 C43' 109.7(10) . . ?
C42 C41 C43 110.3(7) . . ?
C42' C41 C43 35.8(14) . . ?
C38 C41 C43 108.6(6) . . ?
C43' C41 C43 138.4(12) . . ?
C42 C41 C44 109.1(7) . . ?
C42' C41 C44 71.4(15) . . ?
C38 C41 C44 108.8(6) . . ?
C43' C41 C44 45.3(14) . . ?
C43 C41 C44 106.3(7) . . ?
C42 C41 C44' 39.6(12) . . ?
C42' C41 C44' 107.8(11) . . ?
C38 C41 C44' 107.6(10) . . ?
C43' C41 C44' 106.5(10) . . ?
C43 C41 C44' 76.3(13) . . ?
C44 C41 C44' 140.2(12) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C41 C42' H42D 109.5 . . ?
C41 C42' H42E 109.5 . . ?
H42D C42' H42E 109.5 . . ?
C41 C42' H42F 109.5 . . ?
H42D C42' H42F 109.5 . . ?
H42E C42' H42F 109.5 . . ?
C41 C43' H43D 109.5 . . ?
C41 C43' H43E 109.5 . . ?
H43D C43' H43E 109.5 . . ?
C41 C43' H43F 109.5 . . ?
H43D C43' H43F 109.5 . . ?
H43E C43' H43F 109.5 . . ?
C41 C44' H44D 109.5 . . ?
C41 C44' H44E 109.5 . . ?
H44D C44' H44E 109.5 . . ?
C41 C44' H44F 109.5 . . ?
H44D C44' H44F 109.5 . . ?
H44E C44' H44F 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         2.062
_refine_diff_density_min         -1.072
_refine_diff_density_rms         0.127
