# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_Me-AuCl
_database_code_depnum_ccdc_archive 'CCDC 1527551'
_audit_update_record             
;
2017-05-24 deposited with the CCDC.
2017-05-25 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C14 H18 As2 Au2 Cl2 O8'
_chemical_formula_moiety         'C14 H18 As2 Au2 Cl2 O8'
_chemical_formula_weight         928.97
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   9.7958(3)
_cell_length_b                   10.6346(4)
_cell_length_c                   13.0215(4)
_cell_angle_alpha                79.1560(12)
_cell_angle_beta                 74.7870(9)
_cell_angle_gamma                60.7176(10)
_cell_volume                     1138.83(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8785
_cell_measurement_theta_min      3.19
_cell_measurement_theta_max      27.45
_cell_measurement_temperature    296
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    2.709
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             848.00
_exptl_absorpt_coefficient_mu    16.067
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.082
_exptl_absorpt_correction_T_max  0.201

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      296
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            11215
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_theta_max         27.461
_diffrn_reflns_theta_min         3.183
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             5167
_reflns_number_gt                4113
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0349
_refine_ls_wR_factor_ref         0.0826
_refine_ls_wR_factor_gt          0.0722
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         5167
_refine_ls_number_parameters     253
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0280P)²+2.9399P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.71
_refine_diff_density_min         -1.76
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
As As 0.0499 2.0058
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Au Au -2.0133 8.8022
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.67857(3) 0.89954(3) 0.48110(2) 0.03708(9) Uani 1 2 d . . .
Au2 Au 0.87701(3) 1.06507(3) 0.42557(2) 0.03447(9) Uani 1 2 d . . .
As1 As 0.75151(8) 0.85019(8) 0.30100(6) 0.03265(17) Uani 1 2 d . . .
As2 As 1.02930(8) 0.95526(8) 0.26542(6) 0.03104(16) Uani 1 2 d . . .
Cl1 Cl 0.6322(2) 0.8900(2) 0.66297(16) 0.0494(5) Uani 1 2 d . . .
Cl2 Cl 0.7039(2) 1.2157(2) 0.55715(17) 0.0501(5) Uani 1 2 d . . .
O1 O 1.0694(7) 0.4862(6) 0.2080(5) 0.0557(16) Uani 1 2 d . . .
O2 O 0.9418(7) 0.5231(6) 0.3787(5) 0.0543(16) Uani 1 2 d . . .
O3 O 1.3702(6) 0.6599(7) 0.1940(5) 0.0636(18) Uani 1 2 d . . .
O4 O 1.2841(6) 0.5325(6) 0.3265(5) 0.0483(14) Uani 1 2 d . . .
O5 O 0.8703(7) 1.1565(7) -0.0014(4) 0.0524(15) Uani 1 2 d . . .
O6 O 0.8982(10) 1.2468(7) 0.1285(5) 0.075(2) Uani 1 2 d . . .
O7 O 0.6223(9) 0.9797(8) 0.0717(6) 0.074(2) Uani 1 2 d . . .
O8 O 0.5550(6) 1.1980(7) 0.1200(4) 0.0537(16) Uani 1 2 d . . .
C1 C 0.9780(8) 0.7109(8) 0.2778(6) 0.0343(16) Uani 1 2 d . . .
C2 C 1.0912(8) 0.7503(8) 0.2663(6) 0.0328(16) Uani 1 2 d . . .
C3 C 0.8733(8) 1.0380(8) 0.1728(5) 0.0331(16) Uani 1 2 d . . .
C4 C 0.7580(8) 0.9975(8) 0.1901(6) 0.0336(16) Uani 1 2 d . . .
C5 C 0.6554(9) 0.7543(10) 0.2569(7) 0.050(2) Uani 1 2 d . . .
C6 C 1.2056(10) 0.9881(10) 0.1873(7) 0.049(2) Uani 1 2 d . . .
C7 C 1.0078(8) 0.5592(8) 0.2817(6) 0.0390(17) Uani 1 2 d . . .
C8 C 0.9436(12) 0.3862(10) 0.3917(9) 0.074(3) Uani 1 2 d . . .
C9 C 1.2658(8) 0.6434(8) 0.2560(6) 0.0379(17) Uani 1 2 d . . .
C10 C 1.4489(11) 0.4223(10) 0.3305(10) 0.073(3) Uani 1 2 d . . .
C11 C 0.8793(9) 1.1518(8) 0.0865(7) 0.0404(18) Uani 1 2 d . . .
C12 C 0.914(2) 1.3595(16) 0.0525(10) 0.126(6) Uani 1 2 d . . .
C13 C 0.6358(9) 1.0565(10) 0.1204(6) 0.0432(19) Uani 1 2 d . . .
C14 C 0.4351(11) 1.2673(13) 0.0537(8) 0.082(4) Uani 1 2 d . . .
H5A H 0.71836 0.71133 0.19093 0.0604 Uiso 1 2 calc R . .
H5B H 0.5494 0.82335 0.24713 0.0604 Uiso 1 2 calc R . .
H5C H 0.65043 0.6805 0.31066 0.0604 Uiso 1 2 calc R . .
H6A H 1.21896 0.98011 0.11265 0.0592 Uiso 1 2 calc R . .
H6B H 1.30112 0.91745 0.21185 0.0592 Uiso 1 2 calc R . .
H6C H 1.185 1.08311 0.19813 0.0592 Uiso 1 2 calc R . .
H8A H 1.04247 0.31746 0.35249 0.0886 Uiso 1 2 calc R . .
H8B H 0.85617 0.39514 0.36538 0.0886 Uiso 1 2 calc R . .
H8C H 0.93331 0.35382 0.46597 0.0886 Uiso 1 2 calc R . .
H10A H 1.50564 0.46567 0.34718 0.0876 Uiso 1 2 calc R . .
H10B H 1.50064 0.38182 0.26241 0.0876 Uiso 1 2 calc R . .
H10C H 1.44826 0.34722 0.38436 0.0876 Uiso 1 2 calc R . .
H12A H 0.81958 1.41313 0.02237 0.1514 Uiso 1 2 calc R . .
H12B H 1.00532 1.31687 -0.00325 0.1514 Uiso 1 2 calc R . .
H12C H 0.92667 1.42324 0.08799 0.1514 Uiso 1 2 calc R . .
H14A H 0.35817 1.23151 0.07749 0.0983 Uiso 1 2 calc R . .
H14B H 0.48555 1.24618 -0.01916 0.0983 Uiso 1 2 calc R . .
H14C H 0.38226 1.36993 0.05919 0.0983 Uiso 1 2 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Au1 As1 2.3458(8) yes . .
Au1 Cl1 2.284(2) yes . .
Au2 As2 2.3489(8) yes . .
Au2 Cl2 2.286(2) yes . .
As1 C1 1.952(6) yes . .
As1 C4 1.935(7) yes . .
As1 C5 1.923(12) yes . .
As2 C2 1.954(8) yes . .
As2 C3 1.954(8) yes . .
As2 C6 1.917(10) yes . .
O1 C7 1.185(10) yes . .
O2 C7 1.339(10) yes . .
O2 C8 1.425(14) yes . .
O3 C9 1.190(10) yes . .
O4 C9 1.319(10) yes . .
O4 C10 1.467(9) yes . .
O5 C11 1.160(11) yes . .
O6 C11 1.341(15) yes . .
O6 C12 1.446(17) yes . .
O7 C13 1.197(15) yes . .
O8 C13 1.314(11) yes . .
O8 C14 1.453(12) yes . .
C1 C2 1.330(13) yes . .
C1 C7 1.487(12) yes . .
C2 C9 1.507(9) yes . .
C3 C4 1.349(13) yes . .
C3 C11 1.501(11) yes . .
C4 C13 1.506(12) yes . .
C5 H5A 0.960 no . .
C5 H5B 0.960 no . .
C5 H5C 0.960 no . .
C6 H6A 0.960 no . .
C6 H6B 0.960 no . .
C6 H6C 0.960 no . .
C8 H8A 0.960 no . .
C8 H8B 0.960 no . .
C8 H8C 0.960 no . .
C10 H10A 0.960 no . .
C10 H10B 0.960 no . .
C10 H10C 0.960 no . .
C12 H12A 0.960 no . .
C12 H12B 0.960 no . .
C12 H12C 0.960 no . .
C14 H14A 0.960 no . .
C14 H14B 0.960 no . .
C14 H14C 0.960 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
As1 Au1 Cl1 166.52(6) yes . . .
As2 Au2 Cl2 167.45(5) yes . . .
Au1 As1 C1 105.8(2) yes . . .
Au1 As1 C4 120.2(3) yes . . .
Au1 As1 C5 117.3(3) yes . . .
C1 As1 C4 99.5(3) yes . . .
C1 As1 C5 103.4(4) yes . . .
C4 As1 C5 107.6(4) yes . . .
Au2 As2 C2 116.03(19) yes . . .
Au2 As2 C3 102.67(18) yes . . .
Au2 As2 C6 120.8(3) yes . . .
C2 As2 C3 100.1(4) yes . . .
C2 As2 C6 108.7(3) yes . . .
C3 As2 C6 105.6(3) yes . . .
C7 O2 C8 116.0(7) yes . . .
C9 O4 C10 116.5(7) yes . . .
C11 O6 C12 114.0(10) yes . . .
C13 O8 C14 115.8(9) yes . . .
As1 C1 C2 122.1(6) yes . . .
As1 C1 C7 113.2(6) yes . . .
C2 C1 C7 124.6(6) yes . . .
As2 C2 C1 118.9(4) yes . . .
As2 C2 C9 118.1(7) yes . . .
C1 C2 C9 122.9(7) yes . . .
As2 C3 C4 119.9(5) yes . . .
As2 C3 C11 119.0(7) yes . . .
C4 C3 C11 121.0(7) yes . . .
As1 C4 C3 120.8(5) yes . . .
As1 C4 C13 116.9(7) yes . . .
C3 C4 C13 122.2(7) yes . . .
O1 C7 O2 125.6(9) yes . . .
O1 C7 C1 125.0(7) yes . . .
O2 C7 C1 109.1(7) yes . . .
O3 C9 O4 125.9(6) yes . . .
O3 C9 C2 124.1(7) yes . . .
O4 C9 C2 109.9(6) yes . . .
O5 C11 O6 125.8(8) yes . . .
O5 C11 C3 126.2(10) yes . . .
O6 C11 C3 108.0(7) yes . . .
O7 C13 O8 127.1(8) yes . . .
O7 C13 C4 122.0(8) yes . . .
O8 C13 C4 110.9(9) yes . . .
As1 C5 H5A 109.470 no . . .
As1 C5 H5B 109.469 no . . .
As1 C5 H5C 109.467 no . . .
H5A C5 H5B 109.472 no . . .
H5A C5 H5C 109.474 no . . .
H5B C5 H5C 109.476 no . . .
As2 C6 H6A 109.473 no . . .
As2 C6 H6B 109.471 no . . .
As2 C6 H6C 109.473 no . . .
H6A C6 H6B 109.469 no . . .
H6A C6 H6C 109.471 no . . .
H6B C6 H6C 109.470 no . . .
O2 C8 H8A 109.473 no . . .
O2 C8 H8B 109.475 no . . .
O2 C8 H8C 109.477 no . . .
H8A C8 H8B 109.460 no . . .
H8A C8 H8C 109.474 no . . .
H8B C8 H8C 109.468 no . . .
O4 C10 H10A 109.476 no . . .
O4 C10 H10B 109.468 no . . .
O4 C10 H10C 109.473 no . . .
H10A C10 H10B 109.471 no . . .
H10A C10 H10C 109.472 no . . .
H10B C10 H10C 109.467 no . . .
O6 C12 H12A 109.467 no . . .
O6 C12 H12B 109.470 no . . .
O6 C12 H12C 109.476 no . . .
H12A C12 H12B 109.470 no . . .
H12A C12 H12C 109.469 no . . .
H12B C12 H12C 109.475 no . . .
O8 C14 H14A 109.468 no . . .
O8 C14 H14B 109.475 no . . .
O8 C14 H14C 109.472 no . . .
H14A C14 H14B 109.470 no . . .
H14A C14 H14C 109.470 no . . .
H14B C14 H14C 109.472 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Au1 As1 C1 C2 -77.6(5) no . . . .
Au1 As1 C1 C7 98.6(4) no . . . .
Au1 As1 C4 C3 71.4(5) no . . . .
Au1 As1 C4 C13 -112.5(4) no . . . .
C1 As1 C4 C3 -43.3(6) no . . . .
C1 As1 C4 C13 132.9(5) no . . . .
C4 As1 C1 C2 47.7(6) no . . . .
C4 As1 C1 C7 -136.2(5) no . . . .
C5 As1 C1 C2 158.5(5) no . . . .
C5 As1 C1 C7 -25.4(5) no . . . .
C5 As1 C4 C3 -150.7(5) no . . . .
C5 As1 C4 C13 25.4(5) no . . . .
Au2 As2 C2 C1 65.6(5) no . . . .
Au2 As2 C2 C9 -113.2(4) no . . . .
Au2 As2 C3 C4 -71.7(5) no . . . .
Au2 As2 C3 C11 105.3(4) no . . . .
C2 As2 C3 C4 48.1(5) no . . . .
C2 As2 C3 C11 -134.9(4) no . . . .
C3 As2 C2 C1 -44.0(5) no . . . .
C3 As2 C2 C9 137.2(4) no . . . .
C6 As2 C2 C1 -154.4(5) no . . . .
C6 As2 C2 C9 26.8(6) no . . . .
C6 As2 C3 C4 160.9(5) no . . . .
C6 As2 C3 C11 -22.1(6) no . . . .
C8 O2 C7 O1 -1.7(12) no . . . .
C8 O2 C7 C1 172.9(7) no . . . .
C10 O4 C9 O3 2.1(15) no . . . .
C10 O4 C9 C2 -176.8(8) no . . . .
C12 O6 C11 O5 -2.3(13) no . . . .
C12 O6 C11 C3 177.2(8) no . . . .
C14 O8 C13 O7 0.9(11) no . . . .
C14 O8 C13 C4 179.0(6) no . . . .
As1 C1 C2 As2 -3.2(9) no . . . .
As1 C1 C2 C9 175.6(4) no . . . .
As1 C1 C7 O1 113.0(7) no . . . .
As1 C1 C7 O2 -61.6(8) no . . . .
C2 C1 C7 O1 -70.9(12) no . . . .
C2 C1 C7 O2 114.4(8) no . . . .
C7 C1 C2 As2 -178.9(6) no . . . .
C7 C1 C2 C9 -0.1(11) no . . . .
As2 C2 C9 O3 -44.2(11) no . . . .
As2 C2 C9 O4 134.7(6) no . . . .
C1 C2 C9 O3 137.0(9) no . . . .
C1 C2 C9 O4 -44.1(11) no . . . .
As2 C3 C4 As1 -3.4(8) no . . . .
As2 C3 C4 C13 -179.3(4) no . . . .
As2 C3 C11 O5 134.4(7) no . . . .
As2 C3 C11 O6 -45.1(6) no . . . .
C4 C3 C11 O5 -48.7(10) no . . . .
C4 C3 C11 O6 131.9(7) no . . . .
C11 C3 C4 As1 179.7(5) no . . . .
C11 C3 C4 C13 3.8(10) no . . . .
As1 C4 C13 O7 -56.1(8) no . . . .
As1 C4 C13 O8 125.7(6) no . . . .
C3 C4 C13 O7 120.0(9) no . . . .
C3 C4 C13 O8 -58.2(8) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Au1 Au2 3.0873(5) no . .
As1 As2 3.3145(14) no . .
As1 O2 3.150(5) no . .
As1 O7 3.339(8) no . .
As2 O3 3.331(5) no . .
As2 O6 3.109(6) no . .
O1 O4 3.170(11) no . .
O1 C2 3.160(12) no . .
O1 C8 2.674(12) no . .
O1 C9 3.325(14) no . .
O2 O4 3.290(10) no . .
O2 C2 3.336(11) no . .
O2 C5 3.248(10) no . .
O3 C1 3.496(10) no . .
O3 C6 3.041(12) no . .
O3 C10 2.695(12) no . .
O4 C1 2.824(9) no . .
O4 C7 2.786(12) no . .
O5 O7 3.595(13) no . .
O5 O8 2.933(8) no . .
O5 C4 3.013(10) no . .
O5 C12 2.64(2) no . .
O5 C13 2.962(12) no . .
O6 C4 3.427(14) no . .
O6 C6 3.088(10) no . .
O7 C3 3.415(14) no . .
O7 C5 3.024(11) no . .
O7 C14 2.691(13) no . .
O8 C3 2.930(9) no . .
O8 C11 2.890(11) no . .
C1 C3 3.237(10) no . .
C2 C4 3.298(9) no . .
C5 C7 3.107(11) no . .
C5 C13 3.308(14) no . .
C6 C9 3.393(14) no . .
C6 C11 3.297(12) no . .
C7 C9 2.994(14) no . .
C11 C13 2.925(15) no . .
Au1 Au1 3.0375(3) no . 2_676
Au1 Cl1 3.543(2) no . 2_676
Au2 Au2 3.1078(4) no . 2_776
As1 Cl1 3.3745(19) no . 2_676
As2 Cl2 3.524(2) no . 2_776
As2 O5 3.581(6) no . 2_775
Cl1 Au1 3.543(2) no . 2_676
Cl1 As1 3.3745(19) no . 2_676
Cl1 O8 3.192(6) no . 2_676
Cl1 C4 3.500(7) no . 2_676
Cl1 C5 3.585(8) no . 2_676
Cl1 C6 3.550(13) no . 2_776
Cl1 C13 3.229(7) no . 2_676
Cl2 As2 3.524(2) no . 2_776
Cl2 O3 3.496(8) no . 2_776
Cl2 O4 3.378(8) no . 2_776
Cl2 C2 3.591(10) no . 2_776
Cl2 C9 3.231(10) no . 2_776
O1 C12 3.59(2) no . 1_545
O1 C12 3.479(14) no . 2_775
O1 C14 3.480(10) no . 1_645
O2 O2 3.505(10) no . 2_766
O3 Cl2 3.496(8) no . 2_776
O3 O5 3.523(9) no . 2_775
O3 C14 3.452(12) no . 2_775
O4 Cl2 3.378(8) no . 2_776
O5 As2 3.581(6) no . 2_775
O5 O3 3.523(9) no . 2_775
O5 O5 3.044(7) no . 2_775
O5 C2 3.380(9) no . 2_775
O5 C3 3.047(8) no . 2_775
O5 C6 3.499(14) no . 2_775
O5 C11 3.173(9) no . 2_775
O7 O7 3.231(13) no . 2_675
O7 C6 3.387(10) no . 2_775
O8 Cl1 3.192(6) no . 2_676
O8 C10 3.581(14) no . 1_465
C2 Cl2 3.591(10) no . 2_776
C2 O5 3.380(9) no . 2_775
C3 O5 3.047(8) no . 2_775
C4 Cl1 3.500(7) no . 2_676
C5 Cl1 3.585(8) no . 2_676
C6 Cl1 3.550(13) no . 2_776
C6 O5 3.499(14) no . 2_775
C6 O7 3.387(10) no . 2_775
C9 Cl2 3.231(10) no . 2_776
C10 O8 3.581(14) no . 1_645
C11 O5 3.173(9) no . 2_775
C12 O1 3.59(2) no . 1_565
C12 O1 3.479(14) no . 2_775
C13 Cl1 3.229(7) no . 2_676
C14 O1 3.480(10) no . 1_465
C14 O3 3.452(12) no . 2_775
O1 H5A 3.1230 no . .
O1 H5C 3.5726 no . .
O1 H8A 2.4003 no . .
O1 H8B 2.9130 no . .
O1 H8C 3.5704 no . .
O2 H5A 3.3847 no . .
O2 H5C 2.7978 no . .
O3 H6A 3.0734 no . .
O3 H6B 2.5222 no . .
O3 H10A 2.6767 no . .
O3 H10B 2.6608 no . .
O5 H6A 3.5681 no . .
O5 H12A 2.5883 no . .
O5 H12B 2.6134 no . .
O5 H12C 3.5796 no . .
O5 H14B 3.4685 no . .
O6 H6A 3.0199 no . .
O6 H6C 2.7753 no . .
O7 H5A 2.8137 no . .
O7 H5B 2.7152 no . .
O7 H14A 2.6580 no . .
O7 H14B 2.6606 no . .
C1 H5A 3.0409 no . .
C1 H5C 3.2910 no . .
C2 H6A 3.3732 no . .
C2 H6B 3.1978 no . .
C3 H6A 3.0347 no . .
C3 H6C 3.4183 no . .
C4 H5A 3.2482 no . .
C4 H5B 3.2468 no . .
C5 H8B 3.5403 no . .
C7 H5A 2.9334 no . .
C7 H5C 3.0222 no . .
C7 H8A 2.4476 no . .
C7 H8B 2.7214 no . .
C7 H8C 3.1189 no . .
C8 H5C 3.2727 no . .
C9 H6A 3.5836 no . .
C9 H6B 3.0321 no . .
C9 H10A 2.6034 no . .
C9 H10B 2.6060 no . .
C9 H10C 3.1607 no . .
C11 H6A 2.9900 no . .
C11 H6C 3.3707 no . .
C11 H12A 2.5604 no . .
C11 H12B 2.5617 no . .
C11 H12C 3.1441 no . .
C12 H6C 3.4930 no . .
C13 H5A 3.3448 no . .
C13 H5B 3.0601 no . .
C13 H14A 2.5742 no . .
C13 H14B 2.5805 no . .
C13 H14C 3.1393 no . .
H5A H8B 3.5474 no . .
H5C H8B 2.7814 no . .
H6A H12B 3.4315 no . .
H6C H12B 3.4414 no . .
H6C H12C 3.5416 no . .
Au1 H8A 3.5420 no . 2_766
Au1 H8C 3.5840 no . 2_766
Au1 H10C 3.4375 no . 2_766
Au2 H8B 3.3653 no . 1_565
Au2 H8C 3.5252 no . 1_565
Cl1 H5B 2.9621 no . 2_676
Cl1 H6B 3.2249 no . 2_776
Cl1 H6C 2.9924 no . 2_776
Cl1 H8A 2.8311 no . 2_766
Cl1 H10B 3.5990 no . 2_766
Cl1 H10C 3.1860 no . 2_766
Cl1 H14A 3.3919 no . 2_676
Cl2 H5B 3.1801 no . 2_676
Cl2 H5C 3.1715 no . 2_676
Cl2 H6B 3.0729 no . 2_776
Cl2 H8B 3.3379 no . 1_565
Cl2 H8C 3.1295 no . 1_565
Cl2 H10A 3.2698 no . 2_776
Cl2 H10C 3.4110 no . 1_465
O1 H12A 3.0899 no . 2_775
O1 H12B 3.0749 no . 2_775
O1 H12C 2.7025 no . 1_545
O1 H14A 3.1532 no . 1_645
O1 H14C 2.9590 no . 1_645
O2 H8C 3.3416 no . 2_766
O3 H5B 3.2653 no . 1_655
O3 H5C 3.5776 no . 1_655
O3 H14B 2.6484 no . 2_775
O3 H14C 3.5061 no . 2_775
O4 H8C 2.9984 no . 2_766
O5 H6A 2.7708 no . 2_775
O6 H8B 3.5637 no . 1_565
O6 H10B 3.4897 no . 1_465
O7 H6A 2.5818 no . 2_775
O7 H6B 3.4984 no . 1_455
O7 H6C 3.5384 no . 2_775
O7 H12B 3.4852 no . 2_775
O7 H14A 3.1434 no . 2_675
O7 H14B 3.2916 no . 2_675
O8 H6A 3.4932 no . 2_775
O8 H10B 2.7152 no . 1_465
C1 H8C 3.5264 no . 2_766
C1 H12B 3.5966 no . 2_775
C2 H8C 3.4361 no . 2_766
C5 H6B 3.1927 no . 1_455
C6 H5B 3.1799 no . 1_655
C6 H14A 3.5001 no . 1_655
C6 H14B 3.3696 no . 2_775
C7 H12C 3.5539 no . 1_545
C12 H12C 3.4017 no . 2_785
C12 H14C 3.3588 no . 2_685
C13 H6A 3.0042 no . 2_775
C14 H6A 3.5597 no . 2_775
C14 H10B 3.4936 no . 1_465
C14 H12A 3.2392 no . 2_685
H5A H6B 3.5300 no . 1_455
H5A H12B 3.0658 no . 2_775
H5A H12C 3.0563 no . 1_545
H5A H14B 3.2060 no . 2_675
H5B Cl1 2.9621 no . 2_676
H5B Cl2 3.1801 no . 2_676
H5B O3 3.2653 no . 1_455
H5B C6 3.1799 no . 1_455
H5B H6A 3.5946 no . 1_455
H5B H6B 2.2716 no . 1_455
H5B H6C 3.4156 no . 1_455
H5B H14B 3.3291 no . 2_675
H5C Cl2 3.1715 no . 2_676
H5C O3 3.5776 no . 1_455
H5C H6B 3.5171 no . 1_455
H5C H10A 3.1408 no . 1_455
H6A O5 2.7708 no . 2_775
H6A O7 2.5818 no . 2_775
H6A O8 3.4932 no . 2_775
H6A C13 3.0042 no . 2_775
H6A C14 3.5597 no . 2_775
H6A H5B 3.5946 no . 1_655
H6A H14A 3.4634 no . 1_655
H6A H14B 2.8444 no . 2_775
H6B Cl1 3.2249 no . 2_776
H6B Cl2 3.0729 no . 2_776
H6B O7 3.4984 no . 1_655
H6B C5 3.1927 no . 1_655
H6B H5A 3.5300 no . 1_655
H6B H5B 2.2716 no . 1_655
H6B H5C 3.5171 no . 1_655
H6B H14B 3.0041 no . 2_775
H6C Cl1 2.9924 no . 2_776
H6C O7 3.5384 no . 2_775
H6C H5B 3.4156 no . 1_655
H6C H8A 3.0346 no . 1_565
H6C H14A 2.8502 no . 1_655
H8A Au1 3.5420 no . 2_766
H8A Cl1 2.8311 no . 2_766
H8A H6C 3.0346 no . 1_545
H8B Au2 3.3653 no . 1_545
H8B Cl2 3.3379 no . 1_545
H8B O6 3.5637 no . 1_545
H8B H10A 3.2016 no . 1_455
H8B H12C 3.4785 no . 1_545
H8C Au1 3.5840 no . 2_766
H8C Au2 3.5252 no . 1_545
H8C Cl2 3.1295 no . 1_545
H8C O2 3.3416 no . 2_766
H8C O4 2.9984 no . 2_766
H8C C1 3.5264 no . 2_766
H8C C2 3.4361 no . 2_766
H10A Cl2 3.2698 no . 2_776
H10A H5C 3.1408 no . 1_655
H10A H8B 3.2016 no . 1_655
H10B Cl1 3.5990 no . 2_766
H10B O6 3.4897 no . 1_645
H10B O8 2.7152 no . 1_645
H10B C14 3.4936 no . 1_645
H10B H14C 3.2005 no . 1_645
H10C Au1 3.4375 no . 2_766
H10C Cl1 3.1860 no . 2_766
H10C Cl2 3.4110 no . 1_645
H12A O1 3.0899 no . 2_775
H12A C14 3.2392 no . 2_685
H12A H12C 3.5620 no . 2_785
H12A H14A 3.4506 no . 2_685
H12A H14B 3.3879 no . 2_685
H12A H14C 2.4653 no . 2_685
H12B O1 3.0749 no . 2_775
H12B O7 3.4852 no . 2_775
H12B C1 3.5966 no . 2_775
H12B H5A 3.0658 no . 2_775
H12B H12C 3.0932 no . 2_785
H12B H14A 3.5150 no . 1_655
H12C O1 2.7025 no . 1_565
H12C C7 3.5539 no . 1_565
H12C C12 3.4017 no . 2_785
H12C H5A 3.0563 no . 1_565
H12C H8B 3.4785 no . 1_565
H12C H12A 3.5620 no . 2_785
H12C H12B 3.0932 no . 2_785
H12C H12C 3.0232 no . 2_785
H12C H14C 3.5518 no . 2_685
H14A Cl1 3.3919 no . 2_676
H14A O1 3.1532 no . 1_465
H14A O7 3.1434 no . 2_675
H14A C6 3.5001 no . 1_455
H14A H6A 3.4634 no . 1_455
H14A H6C 2.8502 no . 1_455
H14A H12A 3.4506 no . 2_685
H14A H12B 3.5150 no . 1_455
H14B O3 2.6484 no . 2_775
H14B O7 3.2916 no . 2_675
H14B C6 3.3696 no . 2_775
H14B H5A 3.2060 no . 2_675
H14B H5B 3.3291 no . 2_675
H14B H6A 2.8444 no . 2_775
H14B H6B 3.0041 no . 2_775
H14B H12A 3.3879 no . 2_685
H14C O1 2.9590 no . 1_465
H14C O3 3.5061 no . 2_775
H14C C12 3.3588 no . 2_685
H14C H10B 3.2005 no . 1_465
H14C H12A 2.4653 no . 2_685
H14C H12C 3.5518 no . 2_685

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



