# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_c250
_database_code_depnum_ccdc_archive 'CCDC 1539152'
_audit_update_record             
;
2017-03-20 deposited with the CCDC.
2017-06-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H44 Au2 O P2'
_chemical_formula_weight         1092.70

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.7357(2)
_cell_length_b                   12.8189(2)
_cell_length_c                   14.2756(2)
_cell_angle_alpha                68.213(2)
_cell_angle_beta                 84.1840(10)
_cell_angle_gamma                73.8250(10)
_cell_volume                     2078.46(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    25944
_cell_measurement_theta_min      4.1547
_cell_measurement_theta_max      28.7387

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.746
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1056
_exptl_absorpt_coefficient_mu    7.162
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1944
_exptl_absorpt_correction_T_max  0.3431
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω rotations'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            39270
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0191
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         4.16
_diffrn_reflns_theta_max         25.50
_reflns_number_total             7714
_reflns_number_gt                7234
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    XP
_computing_publication_material  XCIF

_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)+(0.0149P)²+3.2053P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7714
_refine_ls_number_parameters     482
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0194
_refine_ls_R_factor_gt           0.0174
_refine_ls_wR_factor_ref         0.0394
_refine_ls_wR_factor_gt          0.0387
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.340126(8) 0.617495(9) 0.247754(8) 0.01497(4) Uani 1 1 d . . .
Au2 Au 0.518190(8) 0.651897(9) 0.087117(8) 0.01493(4) Uani 1 1 d . . .
P1 P 0.36732(6) 0.42235(6) 0.29812(6) 0.01470(15) Uani 1 1 d . . .
P2 P 0.42890(6) 0.73356(6) -0.06270(5) 0.01410(15) Uani 1 1 d . . .
C1 C 0.2998(2) 0.7923(3) 0.2027(2) 0.0179(6) Uani 1 1 d . . .
C2 C 0.2772(2) 0.8951(3) 0.1711(2) 0.0194(6) Uani 1 1 d . . .
C3 C 0.2541(2) 1.0207(2) 0.1312(2) 0.0186(6) Uani 1 1 d . . .
C4 C 0.2492(2) 1.0836(3) 0.1936(2) 0.0224(7) Uani 1 1 d . . .
H4 H 0.2590 1.0437 0.2643 0.027 Uiso 1 1 calc R . .
C5 C 0.2304(2) 1.2030(3) 0.1542(2) 0.0243(7) Uani 1 1 d . . .
H5 H 0.2275 1.2440 0.1983 0.029 Uiso 1 1 calc R . .
C6 C 0.2157(2) 1.2646(2) 0.0516(2) 0.0229(7) Uani 1 1 d . . .
C7 C 0.1932(3) 1.3951(3) 0.0084(3) 0.0323(8) Uani 1 1 d . . .
H7A H 0.1175 1.4300 0.0230 0.048 Uiso 1 1 calc R . .
H7B H 0.2043 1.4209 -0.0647 0.048 Uiso 1 1 calc R . .
H7C H 0.2431 1.4196 0.0390 0.048 Uiso 1 1 calc R . .
C8 C 0.2199(2) 1.2024(3) -0.0111(2) 0.0255(7) Uani 1 1 d . . .
H8 H 0.2097 1.2430 -0.0816 0.031 Uiso 1 1 calc R . .
C9 C 0.2388(2) 1.0822(3) 0.0274(2) 0.0231(7) Uani 1 1 d . . .
H9 H 0.2414 1.0415 -0.0168 0.028 Uiso 1 1 calc R . .
C11 C 0.2376(2) 0.3829(2) 0.3158(2) 0.0173(6) Uani 1 1 d . . .
C12 C 0.1543(2) 0.4544(3) 0.2471(2) 0.0226(7) Uani 1 1 d . . .
H12 H 0.1666 0.5198 0.1922 0.027 Uiso 1 1 calc R . .
C13 C 0.0529(3) 0.4303(3) 0.2587(3) 0.0293(7) Uani 1 1 d . . .
H13 H -0.0037 0.4782 0.2111 0.035 Uiso 1 1 calc R . .
C14 C 0.0347(3) 0.3364(3) 0.3398(3) 0.0306(8) Uani 1 1 d . . .
H14 H -0.0350 0.3208 0.3483 0.037 Uiso 1 1 calc R . .
C15 C 0.1166(3) 0.2655(3) 0.4081(3) 0.0301(8) Uani 1 1 d . . .
H15 H 0.1034 0.2010 0.4635 0.036 Uiso 1 1 calc R . .
C16 C 0.2192(3) 0.2881(3) 0.3965(2) 0.0240(7) Uani 1 1 d . . .
H16 H 0.2760 0.2388 0.4435 0.029 Uiso 1 1 calc R . .
C21 C 0.4466(2) 0.3325(2) 0.4114(2) 0.0168(6) Uani 1 1 d . . .
C22 C 0.4488(2) 0.3805(3) 0.4837(2) 0.0199(6) Uani 1 1 d . . .
H22 H 0.4119 0.4597 0.4716 0.024 Uiso 1 1 calc R . .
C23 C 0.5046(2) 0.3129(3) 0.5734(2) 0.0247(7) Uani 1 1 d . . .
H23 H 0.5058 0.3459 0.6228 0.030 Uiso 1 1 calc R . .
C24 C 0.5582(3) 0.1981(3) 0.5915(2) 0.0270(7) Uani 1 1 d . . .
H24 H 0.5963 0.1521 0.6533 0.032 Uiso 1 1 calc R . .
C25 C 0.5570(3) 0.1493(3) 0.5201(2) 0.0280(7) Uani 1 1 d . . .
H25 H 0.5937 0.0699 0.5331 0.034 Uiso 1 1 calc R . .
C26 C 0.5021(2) 0.2164(3) 0.4294(2) 0.0241(7) Uani 1 1 d . . .
H26 H 0.5022 0.1833 0.3798 0.029 Uiso 1 1 calc R . .
C27 C 0.4364(2) 0.3637(2) 0.2078(2) 0.0159(6) Uani 1 1 d . . .
C30 C 0.6121(2) 0.5770(2) 0.2113(2) 0.0186(6) Uani 1 1 d . . .
C31 C 0.6700(2) 0.5330(2) 0.2843(2) 0.0187(6) Uani 1 1 d . . .
C32 C 0.7376(2) 0.4816(2) 0.3730(2) 0.0176(6) Uani 1 1 d . . .
C33 C 0.7431(2) 0.3681(3) 0.4393(2) 0.0205(6) Uani 1 1 d . . .
H33 H 0.7026 0.3237 0.4250 0.025 Uiso 1 1 calc R . .
C34 C 0.8067(2) 0.3198(3) 0.5253(2) 0.0218(6) Uani 1 1 d . . .
H34 H 0.8089 0.2427 0.5695 0.026 Uiso 1 1 calc R . .
C35 C 0.9402(2) 0.3265(3) 0.6409(2) 0.0248(7) Uani 1 1 d . . .
H35A H 0.8979 0.2925 0.7002 0.037 Uiso 1 1 calc R . .
H35B H 0.9680 0.3856 0.6509 0.037 Uiso 1 1 calc R . .
H35C H 1.0017 0.2653 0.6316 0.037 Uiso 1 1 calc R . .
C36 C 0.8678(2) 0.3820(3) 0.5487(2) 0.0209(6) Uani 1 1 d . . .
C37 C 0.8604(2) 0.4953(3) 0.4838(2) 0.0219(7) Uani 1 1 d . . .
H37 H 0.8996 0.5401 0.4993 0.026 Uiso 1 1 calc R . .
C38 C 0.7977(2) 0.5448(3) 0.3973(2) 0.0218(6) Uani 1 1 d . . .
H38 H 0.7951 0.6224 0.3538 0.026 Uiso 1 1 calc R . .
C40 C 0.5091(2) 0.6763(2) -0.1497(2) 0.0157(6) Uani 1 1 d . . .
C41 C 0.2963(2) 0.7106(2) -0.0725(2) 0.0156(6) Uani 1 1 d . . .
C42 C 0.2136(2) 0.7406(3) -0.0080(2) 0.0213(6) Uani 1 1 d . . .
H42 H 0.2291 0.7653 0.0429 0.026 Uiso 1 1 calc R . .
C43 C 0.1095(2) 0.7343(3) -0.0183(3) 0.0262(7) Uani 1 1 d . . .
H43 H 0.0532 0.7548 0.0256 0.031 Uiso 1 1 calc R . .
C44 C 0.0863(2) 0.6982(3) -0.0921(3) 0.0273(7) Uani 1 1 d . . .
H44 H 0.0142 0.6946 -0.0993 0.033 Uiso 1 1 calc R . .
C45 C 0.1684(3) 0.6676(3) -0.1553(3) 0.0269(7) Uani 1 1 d . . .
H45 H 0.1525 0.6427 -0.2059 0.032 Uiso 1 1 calc R . .
C46 C 0.2743(2) 0.6729(2) -0.1456(2) 0.0220(6) Uani 1 1 d . . .
H46 H 0.3308 0.6508 -0.1887 0.026 Uiso 1 1 calc R . .
C51 C 0.4089(2) 0.8897(2) -0.1242(2) 0.0159(6) Uani 1 1 d . . .
C52 C 0.3254(2) 0.9559(3) -0.1947(2) 0.0225(7) Uani 1 1 d . . .
H52 H 0.2787 0.9194 -0.2119 0.027 Uiso 1 1 calc R . .
C53 C 0.3109(3) 1.0753(3) -0.2398(2) 0.0263(7) Uani 1 1 d . . .
H53 H 0.2539 1.1205 -0.2878 0.032 Uiso 1 1 calc R . .
C54 C 0.3788(2) 1.1287(3) -0.2153(2) 0.0239(7) Uani 1 1 d . . .
H54 H 0.3684 1.2105 -0.2461 0.029 Uiso 1 1 calc R . .
C55 C 0.4620(2) 1.0628(3) -0.1458(2) 0.0236(7) Uani 1 1 d . . .
H55 H 0.5090 1.0995 -0.1294 0.028 Uiso 1 1 calc R . .
C56 C 0.4774(2) 0.9439(3) -0.1001(2) 0.0207(6) Uani 1 1 d . . .
H56 H 0.5346 0.8993 -0.0523 0.025 Uiso 1 1 calc R . .
C60 C 0.0263(3) 1.0540(3) 0.8523(2) 0.0319(8) Uani 1 1 d . . .
H60A H 0.0875 0.9939 0.8927 0.048 Uiso 1 1 calc R . .
H60B H -0.0368 1.0654 0.8962 0.048 Uiso 1 1 calc R . .
H60C H 0.0474 1.1272 0.8199 0.048 Uiso 1 1 calc R . .
C61 C -0.0038(3) 1.0157(3) 0.7717(3) 0.0337(8) Uani 1 1 d . . .
H61A H -0.0242 0.9411 0.8037 0.040 Uiso 1 1 calc R . .
H61B H -0.0670 1.0749 0.7317 0.040 Uiso 1 1 calc R . .
O1 O 0.08924(18) 1.0021(2) 0.70741(19) 0.0357(6) Uani 1 1 d . . .
C62 C 0.0716(3) 0.9661(3) 0.6332(3) 0.0407(9) Uani 1 1 d . . .
H62A H 0.0180 1.0290 0.5839 0.049 Uiso 1 1 calc R . .
H62B H 0.0415 0.8974 0.6626 0.049 Uiso 1 1 calc R . .
C63 C 0.1790(3) 0.9350(4) 0.5808(3) 0.0533(11) Uani 1 1 d . . .
H63A H 0.2105 1.0020 0.5554 0.080 Uiso 1 1 calc R . .
H63B H 0.1661 0.9141 0.5244 0.080 Uiso 1 1 calc R . .
H63C H 0.2298 0.8689 0.6289 0.080 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 C1 2.013(3) . ?
Au1 P1 2.2643(7) . ?
Au1 Au2 3.05754(15) . ?
Au2 C30 2.005(3) . ?
Au2 P2 2.2651(7) . ?
P1 C27 1.767(3) . ?
P1 C21 1.806(3) . ?
P1 C11 1.827(3) . ?
P2 C40 1.768(3) . ?
P2 C51 1.816(3) . ?
P2 C41 1.820(3) . ?
C1 C2 1.182(4) . ?
C2 C3 1.446(4) . ?
C3 C4 1.395(4) . ?
C3 C9 1.400(4) . ?
C4 C5 1.378(4) . ?
C5 C6 1.385(4) . ?
C6 C8 1.390(4) . ?
C6 C7 1.505(4) . ?
C8 C9 1.388(4) . ?
C11 C16 1.386(4) . ?
C11 C12 1.389(4) . ?
C12 C13 1.390(4) . ?
C13 C14 1.381(5) . ?
C14 C15 1.374(5) . ?
C15 C16 1.397(4) . ?
C21 C22 1.390(4) . ?
C21 C26 1.396(4) . ?
C22 C23 1.383(4) . ?
C23 C24 1.375(4) . ?
C24 C25 1.383(5) . ?
C25 C26 1.388(4) . ?
C27 C40 1.198(4) 2_665 ?
C30 C31 1.198(4) . ?
C31 C32 1.437(4) . ?
C32 C33 1.398(4) . ?
C32 C38 1.403(4) . ?
C33 C34 1.381(4) . ?
C34 C36 1.396(4) . ?
C35 C36 1.507(4) . ?
C36 C37 1.386(4) . ?
C37 C38 1.379(4) . ?
C40 C27 1.198(4) 2_665 ?
C41 C46 1.383(4) . ?
C41 C42 1.395(4) . ?
C42 C43 1.376(4) . ?
C43 C44 1.382(5) . ?
C44 C45 1.380(5) . ?
C45 C46 1.392(4) . ?
C51 C56 1.392(4) . ?
C51 C52 1.395(4) . ?
C52 C53 1.387(4) . ?
C53 C54 1.382(5) . ?
C54 C55 1.383(4) . ?
C55 C56 1.381(4) . ?
C60 C61 1.525(5) . ?
C61 O1 1.435(4) . ?
O1 C62 1.362(4) . ?
C62 C63 1.516(6) . ?

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
C1 Au1 P1 174.25(8) . . ?
C1 Au1 Au2 84.32(8) . . ?
P1 Au1 Au2 99.751(18) . . ?
C30 Au2 P2 173.82(8) . . ?
C30 Au2 Au1 80.64(8) . . ?
P2 Au2 Au1 105.413(18) . . ?
C27 P1 C21 102.89(13) . . ?
C27 P1 C11 103.76(13) . . ?
C21 P1 C11 106.67(13) . . ?
C27 P1 Au1 113.37(9) . . ?
C21 P1 Au1 117.68(10) . . ?
C11 P1 Au1 111.22(9) . . ?
C40 P2 C51 103.70(13) . . ?
C40 P2 C41 102.59(13) . . ?
C51 P2 C41 104.21(12) . . ?
C40 P2 Au2 108.62(9) . . ?
C51 P2 Au2 115.64(10) . . ?
C41 P2 Au2 120.18(9) . . ?
C2 C1 Au1 176.5(3) . . ?
C1 C2 C3 177.7(3) . . ?
C4 C3 C9 118.1(3) . . ?
C4 C3 C2 121.5(3) . . ?
C9 C3 C2 120.3(3) . . ?
C5 C4 C3 120.9(3) . . ?
C4 C5 C6 121.4(3) . . ?
C5 C6 C8 118.0(3) . . ?
C5 C6 C7 121.5(3) . . ?
C8 C6 C7 120.4(3) . . ?
C9 C8 C6 121.3(3) . . ?
C8 C9 C3 120.2(3) . . ?
C16 C11 C12 120.0(3) . . ?
C16 C11 P1 122.4(2) . . ?
C12 C11 P1 117.6(2) . . ?
C11 C12 C13 120.0(3) . . ?
C14 C13 C12 119.8(3) . . ?
C15 C14 C13 120.5(3) . . ?
C14 C15 C16 120.1(3) . . ?
C11 C16 C15 119.6(3) . . ?
C22 C21 C26 119.6(3) . . ?
C22 C21 P1 118.4(2) . . ?
C26 C21 P1 122.0(2) . . ?
C23 C22 C21 120.1(3) . . ?
C24 C23 C22 120.3(3) . . ?
C23 C24 C25 120.3(3) . . ?
C24 C25 C26 120.1(3) . . ?
C25 C26 C21 119.7(3) . . ?
C40 C27 P1 174.8(3) 2_665 . ?
C31 C30 Au2 178.7(3) . . ?
C30 C31 C32 178.8(3) . . ?
C33 C32 C38 117.9(3) . . ?
C33 C32 C31 120.9(3) . . ?
C38 C32 C31 121.2(3) . . ?
C34 C33 C32 120.7(3) . . ?
C33 C34 C36 121.4(3) . . ?
C37 C36 C34 117.7(3) . . ?
C37 C36 C35 121.5(3) . . ?
C34 C36 C35 120.8(3) . . ?
C38 C37 C36 121.7(3) . . ?
C37 C38 C32 120.6(3) . . ?
C27 C40 P2 179.3(3) 2_665 . ?
C46 C41 C42 120.2(3) . . ?
C46 C41 P2 122.0(2) . . ?
C42 C41 P2 117.7(2) . . ?
C43 C42 C41 119.8(3) . . ?
C42 C43 C44 120.5(3) . . ?
C45 C44 C43 119.7(3) . . ?
C44 C45 C46 120.6(3) . . ?
C41 C46 C45 119.2(3) . . ?
C56 C51 C52 119.7(3) . . ?
C56 C51 P2 119.6(2) . . ?
C52 C51 P2 120.8(2) . . ?
C53 C52 C51 119.8(3) . . ?
C54 C53 C52 120.3(3) . . ?
C53 C54 C55 119.8(3) . . ?
C56 C55 C54 120.5(3) . . ?
C55 C56 C51 119.9(3) . . ?
O1 C61 C60 108.2(3) . . ?
C62 O1 C61 113.0(3) . . ?
O1 C62 C63 109.0(3) . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         1.409
_refine_diff_density_min         -0.648
_refine_diff_density_rms         0.083
####################################################################### 
# 
# 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_c329
_database_code_depnum_ccdc_archive 'CCDC 1539153'
_audit_update_record             
;
2017-03-20 deposited with the CCDC.
2017-06-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C90 H70 Au4 Cl4 P4'
_chemical_formula_weight         2205.01

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9864(9)
_cell_length_b                   13.8514(7)
_cell_length_c                   14.9652(9)
_cell_angle_alpha                102.046(5)
_cell_angle_beta                 104.468(6)
_cell_angle_gamma                111.469(6)
_cell_volume                     2111.1(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9273
_cell_measurement_theta_min      4.2148
_cell_measurement_theta_max      28.7759

_exptl_crystal_description       prism
_exptl_crystal_colour            pale-yellow
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1054
_exptl_absorpt_coefficient_mu    7.173
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1615
_exptl_absorpt_correction_T_max  0.3280
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω rotations'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            25992
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         4.35
_diffrn_reflns_theta_max         25.50
_reflns_number_total             7819
_reflns_number_gt                6759
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    XP
_computing_publication_material  XCIF

_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)+(0.0592P)²+15.2788P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7819
_refine_ls_number_parameters     508
_refine_ls_number_restraints     92
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0432
_refine_ls_wR_factor_ref         0.1178
_refine_ls_wR_factor_gt          0.1113
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.036
_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 -0.04542(2) 0.40182(2) 0.52107(2) 0.02524(10) Uani 1 1 d . . .
Au2 Au 0.11081(3) 0.10609(2) 0.37581(2) 0.03561(11) Uani 1 1 d . . .
P1 P -0.14646(17) 0.47991(16) 0.60176(14) 0.0252(4) Uani 1 1 d . . .
P2 P 0.04747(19) 0.20897(15) 0.47211(15) 0.0283(4) Uani 1 1 d . . .
C1 C -0.3074(7) 0.3851(6) 0.5852(6) 0.0301(16) Uani 1 1 d U . .
C2 C -0.3720(7) 0.2903(6) 0.5032(6) 0.0332(16) Uani 1 1 d U . .
H2 H -0.3309 0.2759 0.4589 0.040 Uiso 1 1 calc R . .
C3 C -0.4975(8) 0.2165(7) 0.4864(7) 0.0425(19) Uani 1 1 d U . .
H3 H -0.5430 0.1526 0.4297 0.051 Uiso 1 1 calc R . .
C4 C -0.5546(8) 0.2364(7) 0.5517(7) 0.047(2) Uani 1 1 d U . .
H4 H -0.6394 0.1851 0.5405 0.056 Uiso 1 1 calc R . .
C5 C -0.4917(8) 0.3296(7) 0.6339(7) 0.0428(19) Uani 1 1 d U . .
H5 H -0.5333 0.3432 0.6780 0.051 Uiso 1 1 calc R . .
C6 C -0.3669(8) 0.4032(7) 0.6512(7) 0.0394(18) Uani 1 1 d U . .
H6 H -0.3219 0.4664 0.7085 0.047 Uiso 1 1 calc R . .
C11 C -0.0618(7) 0.5276(8) 0.7332(6) 0.0383(18) Uani 1 1 d U . .
C12 C -0.0105(8) 0.6363(9) 0.7917(6) 0.050(2) Uani 1 1 d U . .
H12 H -0.0216 0.6898 0.7646 0.059 Uiso 1 1 calc R . .
C13 C 0.0581(10) 0.6659(11) 0.8917(7) 0.070(3) Uani 1 1 d U . .
H13 H 0.0932 0.7403 0.9324 0.084 Uiso 1 1 calc R . .
C14 C 0.0755(11) 0.5902(14) 0.9319(8) 0.082(4) Uani 1 1 d U . .
H14 H 0.1242 0.6119 0.9994 0.098 Uiso 1 1 calc R . .
C15 C 0.0238(11) 0.4865(13) 0.8753(8) 0.073(3) Uani 1 1 d U . .
H15 H 0.0333 0.4334 0.9038 0.088 Uiso 1 1 calc R . .
C16 C -0.0455(9) 0.4518(10) 0.7739(7) 0.056(2) Uani 1 1 d U . .
H16 H -0.0802 0.3770 0.7345 0.067 Uiso 1 1 calc R . .
C17 C 0.0664(7) 0.3424(6) 0.4628(6) 0.0284(15) Uani 1 1 d U . .
C18 C 0.1470(7) 0.3952(6) 0.4231(5) 0.0265(15) Uani 1 1 d U . .
C19 C 0.2351(8) 0.3634(6) 0.3905(6) 0.0325(16) Uani 1 1 d U . .
C20 C 0.3152(7) 0.3512(6) 0.3606(6) 0.0320(16) Uani 1 1 d U . .
C21 C 0.4135(7) 0.3401(6) 0.3283(6) 0.0309(16) Uani 1 1 d U . .
C22 C 0.5346(7) 0.4298(7) 0.3636(6) 0.0340(17) Uani 1 1 d U . .
H22 H 0.5506 0.4969 0.4090 0.041 Uiso 1 1 calc R . .
C23 C 0.6319(7) 0.4216(7) 0.3325(6) 0.0371(17) Uani 1 1 d U . .
H23 H 0.7135 0.4836 0.3569 0.045 Uiso 1 1 calc R . .
C24 C 0.6126(8) 0.3257(7) 0.2672(6) 0.0370(18) Uani 1 1 d U . .
C25 C 0.4903(8) 0.2360(7) 0.2309(7) 0.0416(19) Uani 1 1 d U . .
H25 H 0.4745 0.1695 0.1846 0.050 Uiso 1 1 calc R . .
C26 C 0.3923(8) 0.2426(7) 0.2614(6) 0.0398(19) Uani 1 1 d U . .
H26 H 0.3106 0.1807 0.2366 0.048 Uiso 1 1 calc R . .
C27 C 0.7203(9) 0.3180(9) 0.2361(7) 0.050(2) Uani 1 1 d U . .
H27A H 0.7472 0.3715 0.2028 0.076 Uiso 1 1 calc R . .
H27B H 0.6905 0.2436 0.1914 0.076 Uiso 1 1 calc R . .
H27C H 0.7931 0.3339 0.2939 0.076 Uiso 1 1 calc R . .
C31 C -0.1244(7) 0.1375(6) 0.4468(6) 0.0345(17) Uani 1 1 d U . .
C32 C -0.2058(9) 0.1136(7) 0.3526(8) 0.051(2) Uani 1 1 d U . .
H32 H -0.1717 0.1347 0.3051 0.061 Uiso 1 1 calc R . .
C33 C -0.3387(9) 0.0580(8) 0.3285(9) 0.060(3) Uani 1 1 d U . .
H33 H -0.3953 0.0423 0.2646 0.073 Uiso 1 1 calc R . .
C34 C -0.3869(10) 0.0263(8) 0.3967(10) 0.067(3) Uani 1 1 d U . .
H34 H -0.4770 -0.0129 0.3797 0.080 Uiso 1 1 calc R . .
C35 C -0.3059(9) 0.0508(8) 0.4891(9) 0.055(2) Uani 1 1 d U . .
H35 H -0.3406 0.0279 0.5357 0.066 Uiso 1 1 calc R . .
C36 C -0.1747(8) 0.1082(6) 0.5162(7) 0.0413(19) Uani 1 1 d U . .
H36 H -0.1197 0.1274 0.5815 0.050 Uiso 1 1 calc R . .
C41 C 0.1233(7) 0.2297(6) 0.6001(6) 0.0309(16) Uani 1 1 d U . .
C42 C 0.1645(8) 0.1545(7) 0.6241(7) 0.0380(18) Uani 1 1 d U . .
H42 H 0.1547 0.0944 0.5734 0.046 Uiso 1 1 calc R . .
C43 C 0.2196(10) 0.1652(8) 0.7202(7) 0.052(2) Uani 1 1 d U . .
H43 H 0.2454 0.1115 0.7356 0.063 Uiso 1 1 calc R . .
C44 C 0.2371(13) 0.2519(11) 0.7928(8) 0.072(3) Uani 1 1 d U . .
H44 H 0.2779 0.2599 0.8588 0.087 Uiso 1 1 calc R . .
C45 C 0.1975(14) 0.3281(10) 0.7732(8) 0.076(4) Uani 1 1 d U . .
H45 H 0.2087 0.3879 0.8249 0.091 Uiso 1 1 calc R . .
C46 C 0.1405(10) 0.3168(8) 0.6765(7) 0.052(2) Uani 1 1 d U . .
H46 H 0.1126 0.3696 0.6622 0.062 Uiso 1 1 calc R . .
C47 C 0.1668(9) 0.0080(7) 0.2923(7) 0.042(2) Uani 1 1 d U . .
C48 C 0.2073(10) -0.0426(8) 0.2504(7) 0.048(2) Uani 1 1 d U . .
C51 C 0.2632(9) -0.0982(7) 0.1977(7) 0.047(2) Uani 1 1 d U . .
C52 C 0.2942(9) -0.0699(8) 0.1203(7) 0.048(2) Uani 1 1 d U . .
H52 H 0.2736 -0.0161 0.0998 0.057 Uiso 1 1 calc R . .
C53 C 0.3551(10) -0.1194(9) 0.0723(7) 0.056(2) Uani 1 1 d U . .
H53 H 0.3779 -0.0969 0.0210 0.067 Uiso 1 1 calc R . .
C54 C 0.3829(11) -0.2002(10) 0.0974(7) 0.061(3) Uani 1 1 d U . .
C55 C 0.3516(12) -0.2273(10) 0.1741(8) 0.068(3) Uani 1 1 d U . .
H55 H 0.3737 -0.2807 0.1941 0.082 Uiso 1 1 calc R . .
C56 C 0.2887(10) -0.1812(7) 0.2250(6) 0.046(2) Uani 1 1 d U . .
H56 H 0.2647 -0.2052 0.2753 0.055 Uiso 1 1 calc R . .
C57 C 0.4432(14) -0.2546(13) 0.0442(9) 0.088(4) Uani 1 1 d U . .
H57A H 0.3805 -0.3305 0.0048 0.133 Uiso 1 1 calc R . .
H57B H 0.5166 -0.2547 0.0911 0.133 Uiso 1 1 calc R . .
H57C H 0.4727 -0.2148 0.0013 0.133 Uiso 1 1 calc R . .
Cl1 Cl 0.7364(7) 0.5624(8) 0.9226(4) 0.104(3) Uani 0.50 1 d P . .
Cl2 Cl 0.4600(9) 0.4792(8) 0.8674(6) 0.048(2) Uani 0.25 1 d P . .
Cl3 Cl 0.5289(13) 0.5296(11) 0.9629(10) 0.085(4) Uani 0.25 1 d P . .
C64 C 0.602(2) 0.574(2) 0.8937(16) 0.073(8) Uani 0.50 1 d P . .
Cl4 Cl 0.2251(10) 0.0215(11) 0.9070(7) 0.145(5) Uani 0.50 1 d P . .
C65 C 0.0838(18) 0.0279(15) 0.8936(12) 0.051(5) Uani 0.50 1 d P . .
Cl5 Cl -0.0007(12) -0.1035(7) 0.8897(7) 0.080(3) Uani 0.30 1 d P . .
Cl6 Cl 0.1331(14) 0.1394(8) 1.0045(7) 0.059(4) Uani 0.20 1 d P . .


_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 C17 2.080(7) . ?
Au1 P1 2.2890(18) . ?
Au1 Au1 2.8058(5) 2_566 ?
Au2 C47 2.059(9) . ?
Au2 P2 2.2728(19) . ?
P1 C1 1.811(7) . ?
P1 C11 1.818(8) . ?
P1 C18 1.845(8) 2_566 ?
P2 C41 1.813(8) . ?
P2 C17 1.818(8) . ?
P2 C31 1.824(8) . ?
C1 C6 1.388(11) . ?
C1 C2 1.392(11) . ?
C2 C3 1.397(11) . ?
C3 C4 1.364(13) . ?
C4 C5 1.382(13) . ?
C5 C6 1.386(12) . ?
C11 C16 1.367(14) . ?
C11 C12 1.383(13) . ?
C12 C13 1.402(13) . ?
C13 C14 1.37(2) . ?
C14 C15 1.321(19) . ?
C15 C16 1.414(15) . ?
C17 C18 1.331(10) . ?
C18 C19 1.434(11) . ?
C18 P1 1.845(8) 2_566 ?
C19 C20 1.205(11) . ?
C20 C21 1.425(10) . ?
C21 C26 1.395(11) . ?
C21 C22 1.398(11) . ?
C22 C23 1.391(11) . ?
C23 C24 1.376(12) . ?
C24 C25 1.405(12) . ?
C24 C27 1.508(11) . ?
C25 C26 1.389(11) . ?
C31 C36 1.385(12) . ?
C31 C32 1.390(13) . ?
C32 C33 1.400(13) . ?
C33 C34 1.366(17) . ?
C34 C35 1.365(17) . ?
C35 C36 1.379(12) . ?
C41 C42 1.379(11) . ?
C41 C46 1.389(12) . ?
C42 C43 1.376(13) . ?
C43 C44 1.350(15) . ?
C44 C45 1.362(15) . ?
C45 C46 1.384(14) . ?
C47 C48 1.156(12) . ?
C48 C51 1.432(13) . ?
C51 C52 1.391(13) . ?
C51 C56 1.405(13) . ?
C52 C53 1.394(13) . ?
C53 C54 1.374(15) . ?
C54 C55 1.376(16) . ?
C54 C57 1.469(15) . ?
C55 C56 1.412(15) . ?
Cl1 C64 1.63(2) . ?
Cl2 Cl3 1.335(16) . ?
Cl2 C64 1.61(2) . ?
Cl3 C64 1.60(2) . ?
Cl3 Cl3 1.65(3) 2_667 ?
Cl4 C65 1.69(2) . ?
C65 Cl5 1.71(2) . ?
C65 Cl6 1.81(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C17 Au1 P1 173.1(2) . . ?
C17 Au1 Au1 93.9(2) . 2_566 ?
P1 Au1 Au1 84.87(5) . 2_566 ?
C47 Au2 P2 177.3(2) . . ?
C1 P1 C11 103.6(3) . . ?
C1 P1 C18 110.0(3) . 2_566 ?
C11 P1 C18 103.7(4) . 2_566 ?
C1 P1 Au1 114.1(3) . . ?
C11 P1 Au1 110.1(3) . . ?
C18 P1 Au1 114.3(2) 2_566 . ?
C41 P2 C17 107.2(4) . . ?
C41 P2 C31 104.8(4) . . ?
C17 P2 C31 102.2(3) . . ?
C41 P2 Au2 110.8(3) . . ?
C17 P2 Au2 119.5(3) . . ?
C31 P2 Au2 111.0(3) . . ?
C6 C1 C2 119.6(7) . . ?
C6 C1 P1 122.5(6) . . ?
C2 C1 P1 117.9(6) . . ?
C1 C2 C3 119.7(8) . . ?
C4 C3 C2 119.8(9) . . ?
C3 C4 C5 121.3(8) . . ?
C4 C5 C6 119.2(8) . . ?
C5 C6 C1 120.3(9) . . ?
C16 C11 C12 119.6(9) . . ?
C16 C11 P1 117.3(8) . . ?
C12 C11 P1 123.0(7) . . ?
C11 C12 C13 118.8(11) . . ?
C14 C13 C12 121.4(12) . . ?
C15 C14 C13 119.0(10) . . ?
C14 C15 C16 122.1(12) . . ?
C11 C16 C15 119.1(11) . . ?
C18 C17 P2 121.3(6) . . ?
C18 C17 Au1 124.9(6) . . ?
P2 C17 Au1 113.8(4) . . ?
C17 C18 C19 127.2(7) . . ?
C17 C18 P1 120.0(6) . 2_566 ?
C19 C18 P1 112.6(5) . 2_566 ?
C20 C19 C18 170.4(8) . . ?
C19 C20 C21 177.9(9) . . ?
C26 C21 C22 118.7(7) . . ?
C26 C21 C20 122.1(7) . . ?
C22 C21 C20 119.2(7) . . ?
C23 C22 C21 120.4(8) . . ?
C24 C23 C22 121.5(7) . . ?
C23 C24 C25 118.1(7) . . ?
C23 C24 C27 120.5(8) . . ?
C25 C24 C27 121.4(8) . . ?
C26 C25 C24 121.2(8) . . ?
C25 C26 C21 120.1(8) . . ?
C36 C31 C32 120.1(8) . . ?
C36 C31 P2 123.3(7) . . ?
C32 C31 P2 116.6(7) . . ?
C31 C32 C33 119.2(10) . . ?
C34 C33 C32 120.0(10) . . ?
C35 C34 C33 120.1(9) . . ?
C34 C35 C36 121.4(10) . . ?
C35 C36 C31 119.0(10) . . ?
C42 C41 C46 117.5(8) . . ?
C42 C41 P2 118.9(6) . . ?
C46 C41 P2 123.6(6) . . ?
C43 C42 C41 121.1(8) . . ?
C44 C43 C42 119.9(9) . . ?
C43 C44 C45 121.4(10) . . ?
C44 C45 C46 118.7(10) . . ?
C45 C46 C41 121.4(9) . . ?
C48 C47 Au2 175.0(9) . . ?
C47 C48 C51 176.0(10) . . ?
C52 C51 C56 119.4(9) . . ?
C52 C51 C48 120.6(9) . . ?
C56 C51 C48 120.0(9) . . ?
C51 C52 C53 120.9(10) . . ?
C54 C53 C52 121.5(10) . . ?
C53 C54 C55 117.0(10) . . ?
C53 C54 C57 121.1(11) . . ?
C55 C54 C57 121.9(11) . . ?
C54 C55 C56 124.3(10) . . ?
C51 C56 C55 116.9(9) . . ?
Cl3 Cl2 C64 64.9(10) . . ?
Cl2 Cl3 C64 66.0(12) . . ?
Cl2 Cl3 Cl3 116.1(13) . 2_667 ?
C64 Cl3 Cl3 168.4(19) . 2_667 ?
Cl3 C64 Cl2 49.1(8) . . ?
Cl3 C64 Cl1 107.6(13) . . ?
Cl2 C64 Cl1 126.9(18) . . ?
Cl4 C65 Cl5 96.4(13) . . ?
Cl4 C65 Cl6 99.6(11) . . ?
Cl5 C65 Cl6 118.3(12) . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         2.771
_refine_diff_density_min         -1.216
_refine_diff_density_rms         0.184
