#------------------------------------------------------------------------------
#$Date: 2021-06-05 20:16:42 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265834 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/83/7128373.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7128373
loop_
_publ_author_name
'Kobayashi, Ryosuke'
'Yumura, Takashi'
'Imoto, Hiroaki'
'Naka, Kensuke'
_publ_section_title
;
 Homo- and hetero-metallophilicity-driven synthesis of highly emissive and
 stimuli-responsive Au(I)-Cu(I) double salts.
;
_journal_issue                   44
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5382
_journal_page_last               5385
_journal_paper_doi               10.1039/d1cc01316e
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C50 H44 As4 Au2 Cl4 Cu2'
_chemical_formula_sum            'C50 H44 As4 Au2 Cl4 Cu2'
_chemical_formula_weight         1607.34
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2020-12-16
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_audit_update_record
;
2021-02-24 deposited with the CCDC.	2021-04-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.380(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.036(4)
_cell_length_b                   15.6209(18)
_cell_length_c                   16.343(3)
_cell_measurement_reflns_used    4514
_cell_measurement_temperature    298.15
_cell_measurement_theta_max      54.971
_cell_measurement_theta_min      6.133
_cell_volume                     5124.0(15)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      298.15
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'XtaLAB mini'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0610
_diffrn_reflns_av_unetI/netI     0.0427
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26763
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         3.067
_exptl_absorpt_coefficient_mu    9.333
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.6673
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS(Rigaku, 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.084
_exptl_crystal_description       prism
_exptl_crystal_F_000             3040
_exptl_crystal_recrystallization_method
'The material was recrystallised from a mixture of DCM and methanol by solvent layering.'
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.384
_refine_diff_density_min         -1.171
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         5856
_refine_ls_number_restraints     168
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0618P)²+13.5666P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1168
_refine_ls_wR_factor_ref         0.1364
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3803
_reflns_number_total             5856
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc01316e2.cif
_cod_data_source_block           As-AuCuCl_c
_cod_depositor_comments
'Adding full bibliography for 7128370--7128375.cif.'
_cod_original_cell_volume        5124.0(13)
_cod_database_code               7128373
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.257
_shelx_estimated_absorpt_t_min   0.257
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C24B-C19B \\sim C24A-C19A
 with sigma of 0.02
 C24B-C23B \\sim C24A-C23A
 with sigma of 0.02
 C19B-C20B \\sim C19A-C20A
 with sigma of 0.02
 As2-C19B \\sim As2-C19A
 with sigma of 0.02
 C19B-C21B \\sim C19A-C21A
 with sigma of 0.04
 C20B-C21B \\sim C20A-C21A
 with sigma of 0.02
 C21B-C22B \\sim C21A-C22A
 with sigma of 0.02
 C21B-C23B \\sim C21A-C23A
 with sigma of 0.04
 C19B-C23B \\sim C19A-C23A
 with sigma of 0.04
 C22B-C23B \\sim C22A-C23A
 with sigma of 0.02
 C20B-C22B \\sim C20A-C22A
 with sigma of 0.04
 As2-C24B \\sim As2-C24A
 with sigma of 0.04
 As2-C20B \\sim As2-C20A
 with sigma of 0.04
 C24B-C20B \\sim C24A-C20A
 with sigma of 0.04
 C24B-C22B \\sim C24A-C22A
 with sigma of 0.04
3. Restrained planarity
 C20A, C19A, C24A, C23A, C22A, C21A
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C20B \\sim C20A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
5. Rigid body (RIGU) restrains
 C19B, C22B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C19B, C24B, C23B, C22B, C21B, C20B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C11A, C9A, C8A, C10A, C12A, C7A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C7B, C8B, C9B, C10B, C11B, C12B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C24B, C19B, C22B, C20B, C23B, C21B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C19A, C20A, C23A, C21A, C24A, C22A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(C7B)=Sof(C8B)=Sof(H8B)=Sof(C9B)=Sof(H9B)=Sof(C10B)=Sof(H10B)=Sof(C11B)=
 Sof(H11B)=Sof(C12B)=Sof(H12B)=1-FVAR(1)
 Sof(C7A)=Sof(C8A)=Sof(H8A)=Sof(C9A)=Sof(H9A)=Sof(C10A)=Sof(H10A)=Sof(C11A)=
 Sof(H11A)=Sof(C12A)=Sof(H12A)=FVAR(1)
 Sof(C19A)=Sof(C20A)=Sof(H20A)=Sof(C21A)=Sof(H21A)=Sof(C22A)=Sof(H22A)=
 Sof(C23A)=Sof(H23A)=Sof(C24A)=Sof(H24A)=1-FVAR(2)
 Sof(C24B)=Sof(H24B)=Sof(C19B)=Sof(C20B)=Sof(H20B)=Sof(C21B)=Sof(H21B)=
 Sof(C22B)=Sof(H22B)=Sof(C23B)=Sof(H23B)=FVAR(2)
7.a Secondary CH2 refined with riding coordinates:
 C25(H25A,H25B)
7.b Aromatic/amide H refined with riding coordinates:
 C8B(H8B), C9B(H9B), C10B(H10B), C11B(H11B), C12B(H12B), C14(H14), C15(H15),
 C16(H16), C17(H17), C18(H18), C6(H6), C5(H5), C4(H4), C3(H3), C2(H2),
 C24B(H24B), C20B(H20B), C21B(H21B), C22B(H22B), C23B(H23B), C8A(H8A), C9A(H9A),
  C10A(H10A), C11A(H11A), C12A(H12A), C20A(H20A), C21A(H21A), C22A(H22A),
 C23A(H23A), C24A(H24A)
7.c Fitted hexagon refined as free rotating group:
 C7B(C8B,C9B,C10B,C11B,C12B), C13(C14,C15,C16,C17,C18), C24B(C19B,C20B,C21B,
 C22B,C23B), C7A(C8A,C9A,C10A,C11A,C12A), C19A(C20A,C21A,C22A,C23A,C24A)
;
_olex2_exptl_crystal_mounting_method
'The crystal was mounted on a glass fibre.'
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.19705(2) 0.70308(2) 0.02407(2) 0.06647(14) Uani 1 1 d . . . . .
As1 As 0.16810(4) 0.62828(5) -0.11578(5) 0.0600(2) Uani 1 1 d . . . . .
As2 As 0.20780(5) 0.79779(5) 0.14555(6) 0.0644(2) Uani 1 1 d D . . . .
Cu1 Cu 0.23438(9) 0.53531(8) 0.09799(9) 0.1043(5) Uani 1 1 d . . . . .
Cl2 Cl 0.1531(2) 0.5466(2) 0.1307(2) 0.1299(12) Uani 1 1 d . . . . .
Cl1 Cl 0.3204(2) 0.5164(2) 0.0782(2) 0.1297(11) Uani 1 1 d . . . . .
C7B C 0.112(2) 0.690(3) -0.228(2) 0.070(11) Uani 0.34(6) 1 d . U P A 2
C8B C 0.0967(19) 0.648(3) -0.309(3) 0.070(9) Uani 0.34(6) 1 d G U P A 2
H8B H 0.113722 0.593156 -0.308928 0.084 Uiso 0.34(6) 1 calc R . P A 2
C9B C 0.0560(18) 0.686(4) -0.390(2) 0.103(13) Uani 0.34(6) 1 d G U P A 2
H9B H 0.045878 0.657679 -0.443672 0.123 Uiso 0.34(6) 1 calc R . P A 2
C10B C 0.0305(17) 0.768(4) -0.390(3) 0.107(16) Uani 0.34(6) 1 d G U P A 2
H10B H 0.003325 0.793544 -0.443771 0.128 Uiso 0.34(6) 1 calc R . P A 2
C11B C 0.046(3) 0.810(4) -0.309(4) 0.114(18) Uani 0.34(6) 1 d G U P A 2
H11B H 0.028614 0.864886 -0.309124 0.137 Uiso 0.34(6) 1 calc R . P A 2
C12B C 0.086(3) 0.772(3) -0.228(3) 0.095(13) Uani 0.34(6) 1 d G U P A 2
H12B H 0.096458 0.800364 -0.174378 0.114 Uiso 0.34(6) 1 calc R . P A 2
C13 C 0.2490(4) 0.7606(4) 0.2670(3) 0.074(2) Uani 1 1 d . . . . .
C14 C 0.2519(4) 0.8159(4) 0.3352(5) 0.112(4) Uani 1 1 d G . . . .
H14 H 0.232175 0.869667 0.321070 0.135 Uiso 1 1 calc R . . . .
C15 C 0.2844(5) 0.7908(6) 0.4244(4) 0.144(6) Uani 1 1 d G . . . .
H15 H 0.286365 0.827795 0.470062 0.173 Uiso 1 1 calc R . . . .
C16 C 0.3139(4) 0.7105(6) 0.4455(4) 0.115(4) Uani 1 1 d G . . . .
H16 H 0.335622 0.693682 0.505216 0.138 Uiso 1 1 calc R . . . .
C17 C 0.3109(4) 0.6552(5) 0.3773(6) 0.113(4) Uani 1 1 d G . . . .
H17 H 0.330690 0.601440 0.391377 0.135 Uiso 1 1 calc R . . . .
C18 C 0.2785(4) 0.6803(4) 0.2880(5) 0.095(3) Uani 1 1 d G . . . .
H18 H 0.276500 0.643311 0.242384 0.114 Uiso 1 1 calc R . . . .
C1 C 0.1209(4) 0.5224(5) -0.1262(5) 0.0622(19) Uani 1 1 d . . . . .
C6 C 0.1432(5) 0.4473(6) -0.1464(7) 0.091(3) Uani 1 1 d . . . . .
H6 H 0.181453 0.446298 -0.157156 0.110 Uiso 1 1 calc R . . . .
C5 C 0.1080(8) 0.3720(7) -0.1508(9) 0.118(4) Uani 1 1 d . . . . .
H5 H 0.123058 0.320102 -0.163270 0.141 Uiso 1 1 calc R . . . .
C4 C 0.0511(9) 0.3751(11) -0.1367(9) 0.135(6) Uani 1 1 d . . . . .
H4 H 0.026972 0.325341 -0.140481 0.162 Uiso 1 1 calc R . . . .
C3 C 0.0302(7) 0.4494(11) -0.1174(10) 0.128(5) Uani 1 1 d . . . . .
H3 H -0.008799 0.450922 -0.108312 0.154 Uiso 1 1 calc R . . . .
C2 C 0.0650(5) 0.5233(7) -0.1109(8) 0.098(3) Uani 1 1 d . . . . .
H2 H 0.050267 0.574328 -0.095869 0.117 Uiso 1 1 calc R . . . .
C25 C 0.2429(4) 0.6002(5) -0.1436(6) 0.0636(19) Uani 1 1 d . . . . .
H25A H 0.226907 0.572234 -0.201760 0.076 Uiso 1 1 calc R . . . .
H25B H 0.272088 0.560638 -0.098976 0.076 Uiso 1 1 calc R . . . .
C24B C 0.0698(6) 0.7969(8) 0.0963(9) 0.084(5) Uani 0.509(11) 1 d D U P B 3
H24B H 0.071624 0.747607 0.065523 0.101 Uiso 0.509(11) 1 calc R . P B 3
C19B C 0.1280(5) 0.8413(8) 0.1469(11) 0.060(5) Uani 0.509(11) 1 d DG U P B 3
C20B C 0.1252(6) 0.9150(9) 0.1929(12) 0.121(9) Uani 0.509(11) 1 d DG U P B 3
H20B H 0.164156 0.944735 0.226750 0.145 Uiso 0.509(11) 1 calc R . P B 3
C21B C 0.0644(7) 0.9443(9) 0.1885(12) 0.132(10) Uani 0.509(11) 1 d DG U P B 3
H21B H 0.062571 0.993561 0.219286 0.159 Uiso 0.509(11) 1 calc R . P B 3
C22B C 0.0062(5) 0.8998(11) 0.1379(12) 0.102(7) Uani 0.509(11) 1 d DG U P B 3
H22B H -0.034488 0.919410 0.134940 0.123 Uiso 0.509(11) 1 calc R . P B 3
C23B C 0.0089(5) 0.8262(10) 0.0919(10) 0.100(7) Uani 0.509(11) 1 d DG U P B 3
H23B H -0.029963 0.796434 0.058059 0.120 Uiso 0.509(11) 1 calc R . P B 3
C7A C 0.1126(10) 0.6966(13) -0.2109(14) 0.078(6) Uani 0.66(6) 1 d . U P A 1
C8A C 0.0818(13) 0.6652(11) -0.2980(15) 0.096(7) Uani 0.66(6) 1 d G U P A 1
H8A H 0.085321 0.607463 -0.309249 0.115 Uiso 0.66(6) 1 calc R . P A 1
C9A C 0.0459(11) 0.7201(17) -0.3683(15) 0.105(7) Uani 0.66(6) 1 d G U P A 1
H9A H 0.025292 0.699041 -0.426653 0.126 Uiso 0.66(6) 1 calc R . P A 1
C10A C 0.0407(11) 0.8064(17) -0.352(2) 0.124(9) Uani 0.66(6) 1 d G U P A 1
H10A H 0.016612 0.843089 -0.398603 0.149 Uiso 0.66(6) 1 calc R . P A 1
C11A C 0.0714(15) 0.8378(12) -0.264(2) 0.119(8) Uani 0.66(6) 1 d G U P A 1
H11A H 0.067960 0.895560 -0.253149 0.142 Uiso 0.66(6) 1 calc R . P A 1
C12A C 0.1074(13) 0.7829(14) -0.1941(17) 0.095(6) Uani 0.66(6) 1 d G U P A 1
H12A H 0.127988 0.803983 -0.135744 0.114 Uiso 0.66(6) 1 calc R . P A 1
C19A C 0.1205(5) 0.8468(8) 0.1240(11) 0.062(5) Uani 0.491(11) 1 d D U P B 4
C20A C 0.0938(7) 0.9178(8) 0.0697(11) 0.088(6) Uani 0.491(11) 1 d DG U P B 4
H20A H 0.116566 0.942812 0.038934 0.105 Uiso 0.491(11) 1 calc R . P B 4
C21A C 0.0331(7) 0.9513(9) 0.0612(11) 0.105(7) Uani 0.491(11) 1 d DG U P B 4
H21A H 0.015213 0.998800 0.024872 0.127 Uiso 0.491(11) 1 calc R . P B 4
C22A C -0.0010(6) 0.9139(12) 0.1072(13) 0.121(9) Uani 0.491(11) 1 d DG U P B 4
H22A H -0.041593 0.936365 0.101529 0.145 Uiso 0.491(11) 1 calc R . P B 4
C23A C 0.0257(8) 0.8430(12) 0.1615(13) 0.130(10) Uani 0.491(11) 1 d DG U P B 4
H23A H 0.002955 0.817940 0.192247 0.156 Uiso 0.491(11) 1 calc R . P B 4
C24A C 0.0865(8) 0.8094(10) 0.1699(12) 0.125(10) Uani 0.491(11) 1 d DG U P B 4
H24A H 0.104309 0.761951 0.206311 0.150 Uiso 0.491(11) 1 calc R . P B 4
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'
As As 0.0499 2.0058 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
As1 Au1 Au1 85.49(2) . 7_565 ?
As1 Au1 As2 168.12(3) . . ?
As1 Au1 Cu1 82.74(3) . . ?
As2 Au1 Au1 95.16(3) . 7_565 ?
As2 Au1 Cu1 107.54(4) . . ?
Cu1 Au1 Au1 114.98(4) . 7_565 ?
C7B As1 Au1 117.4(13) . . ?
C1 As1 Au1 115.1(2) . . ?
C1 As1 C7B 103.2(15) . . ?
C1 As1 C25 105.4(4) . . ?
C25 As1 Au1 114.6(2) . . ?
C25 As1 C7B 99.2(13) . . ?
C7A As1 Au1 109.8(7) . . ?
C7A As1 C1 105.9(8) . . ?
C7A As1 C25 105.3(8) . . ?
C13 As2 Au1 121.0(2) . . ?
C13 As2 C25 103.8(3) . 7_565 ?
C13 As2 C19A 108.4(5) . . ?
C25 As2 Au1 110.9(2) 7_565 . ?
C25 As2 C19A 101.0(5) 7_565 . ?
C19B As2 Au1 117.0(4) . . ?
C19B As2 C13 98.2(5) . . ?
C19B As2 C25 103.6(5) . 7_565 ?
C19A As2 Au1 109.7(5) . . ?
Cl2 Cu1 Au1 84.42(12) . . ?
Cl1 Cu1 Au1 100.76(11) . . ?
Cl1 Cu1 Cl2 173.74(16) . . ?
C8B C7B As1 117.1(17) . . ?
C8B C7B C12B 120.0 . . ?
C12B C7B As1 122.9(17) . . ?
C7B C8B H8B 120.0 . . ?
C7B C8B C9B 120.0 . . ?
C9B C8B H8B 120.0 . . ?
C8B C9B H9B 120.0 . . ?
C8B C9B C10B 120.0 . . ?
C10B C9B H9B 120.0 . . ?
C9B C10B H10B 120.0 . . ?
C9B C10B C11B 120.0 . . ?
C11B C10B H10B 120.0 . . ?
C10B C11B H11B 120.0 . . ?
C12B C11B C10B 120.0 . . ?
C12B C11B H11B 120.0 . . ?
C7B C12B H12B 120.0 . . ?
C11B C12B C7B 120.0 . . ?
C11B C12B H12B 120.0 . . ?
C14 C13 As2 119.5(4) . . ?
C14 C13 C18 120.0 . . ?
C18 C13 As2 120.5(4) . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C18 C17 H17 120.0 . . ?
C13 C18 H18 120.0 . . ?
C17 C18 C13 120.0 . . ?
C17 C18 H18 120.0 . . ?
C6 C1 As1 121.8(7) . . ?
C2 C1 As1 118.3(7) . . ?
C2 C1 C6 119.9(9) . . ?
C1 C6 H6 120.3 . . ?
C1 C6 C5 119.4(11) . . ?
C5 C6 H6 120.3 . . ?
C6 C5 H5 120.3 . . ?
C4 C5 C6 119.4(13) . . ?
C4 C5 H5 120.3 . . ?
C5 C4 H4 119.9 . . ?
C3 C4 C5 120.2(12) . . ?
C3 C4 H4 119.9 . . ?
C4 C3 H3 119.5 . . ?
C4 C3 C2 121.1(14) . . ?
C2 C3 H3 119.5 . . ?
C1 C2 C3 120.1(12) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
As1 C25 As2 110.8(4) . 7_565 ?
As1 C25 H25A 109.5 . . ?
As1 C25 H25B 109.5 . . ?
As2 C25 H25A 109.5 7_565 . ?
As2 C25 H25B 109.5 7_565 . ?
H25A C25 H25B 108.1 . . ?
C19B C24B H24B 120.0 . . ?
C19B C24B C23B 120.0 . . ?
C23B C24B H24B 120.0 . . ?
C24B C19B As2 116.5(7) . . ?
C20B C19B As2 123.4(7) . . ?
C20B C19B C24B 120.0 . . ?
C19B C20B H20B 120.0 . . ?
C19B C20B C21B 120.0 . . ?
C21B C20B H20B 120.0 . . ?
C20B C21B H21B 120.0 . . ?
C22B C21B C20B 120.0 . . ?
C22B C21B H21B 120.0 . . ?
C21B C22B H22B 120.0 . . ?
C21B C22B C23B 120.0 . . ?
C23B C22B H22B 120.0 . . ?
C24B C23B H23B 120.0 . . ?
C22B C23B C24B 120.0 . . ?
C22B C23B H23B 120.0 . . ?
C8A C7A As1 121.7(13) . . ?
C8A C7A C12A 120.0 . . ?
C12A C7A As1 118.0(13) . . ?
C7A C8A H8A 120.0 . . ?
C9A C8A C7A 120.0 . . ?
C9A C8A H8A 120.0 . . ?
C8A C9A H9A 120.0 . . ?
C8A C9A C10A 120.0 . . ?
C10A C9A H9A 120.0 . . ?
C9A C10A H10A 120.0 . . ?
C11A C10A C9A 120.0 . . ?
C11A C10A H10A 120.0 . . ?
C10A C11A H11A 120.0 . . ?
C10A C11A C12A 120.0 . . ?
C12A C11A H11A 120.0 . . ?
C7A C12A H12A 120.0 . . ?
C11A C12A C7A 120.0 . . ?
C11A C12A H12A 120.0 . . ?
C20A C19A As2 123.4(8) . . ?
C20A C19A C24A 120.0 . . ?
C24A C19A As2 116.5(8) . . ?
C19A C20A H20A 120.0 . . ?
C19A C20A C21A 120.0 . . ?
C21A C20A H20A 120.0 . . ?
C20A C21A H21A 120.0 . . ?
C20A C21A C22A 120.0 . . ?
C22A C21A H21A 120.0 . . ?
C21A C22A H22A 120.0 . . ?
C23A C22A C21A 120.0 . . ?
C23A C22A H22A 120.0 . . ?
C22A C23A H23A 120.0 . . ?
C22A C23A C24A 120.0 . . ?
C24A C23A H23A 120.0 . . ?
C19A C24A H24A 120.0 . . ?
C23A C24A C19A 120.0 . . ?
C23A C24A H24A 120.0 . . ?
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 Au1 3.1193(7) 7_565 ?
Au1 As1 2.4067(9) . ?
Au1 As2 2.4080(9) . ?
Au1 Cu1 2.8607(14) . ?
As1 C7B 1.99(2) . ?
As1 C1 1.923(8) . ?
As1 C25 1.932(8) . ?
As1 C7A 1.866(14) . ?
As2 C13 1.900(5) . ?
As2 C25 1.937(8) 7_565 ?
As2 C19B 1.895(8) . ?
As2 C19A 1.963(9) . ?
Cu1 Cl2 2.078(4) . ?
Cu1 Cl1 2.072(4) . ?
C7B C8B 1.3900 . ?
C7B C12B 1.3900 . ?
C8B H8B 0.9300 . ?
C8B C9B 1.3900 . ?
C9B H9B 0.9300 . ?
C9B C10B 1.3900 . ?
C10B H10B 0.9300 . ?
C10B C11B 1.3900 . ?
C11B H11B 0.9300 . ?
C11B C12B 1.3900 . ?
C12B H12B 0.9300 . ?
C13 C14 1.3900 . ?
C13 C18 1.3900 . ?
C14 H14 0.9300 . ?
C14 C15 1.3900 . ?
C15 H15 0.9300 . ?
C15 C16 1.3900 . ?
C16 H16 0.9300 . ?
C16 C17 1.3900 . ?
C17 H17 0.9300 . ?
C17 C18 1.3900 . ?
C18 H18 0.9300 . ?
C1 C6 1.364(13) . ?
C1 C2 1.357(12) . ?
C6 H6 0.9300 . ?
C6 C5 1.395(15) . ?
C5 H5 0.9300 . ?
C5 C4 1.36(2) . ?
C4 H4 0.9300 . ?
C4 C3 1.33(2) . ?
C3 H3 0.9300 . ?
C3 C2 1.365(16) . ?
C2 H2 0.9300 . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C24B H24B 0.9300 . ?
C24B C19B 1.3900 . ?
C24B C23B 1.3900 . ?
C19B C20B 1.3900 . ?
C20B H20B 0.9300 . ?
C20B C21B 1.3900 . ?
C21B H21B 0.9300 . ?
C21B C22B 1.3900 . ?
C22B H22B 0.9300 . ?
C22B C23B 1.3900 . ?
C23B H23B 0.9300 . ?
C7A C8A 1.3900 . ?
C7A C12A 1.3900 . ?
C8A H8A 0.9300 . ?
C8A C9A 1.3900 . ?
C9A H9A 0.9300 . ?
C9A C10A 1.3900 . ?
C10A H10A 0.9300 . ?
C10A C11A 1.3900 . ?
C11A H11A 0.9300 . ?
C11A C12A 1.3900 . ?
C12A H12A 0.9300 . ?
C19A C20A 1.3900 . ?
C19A C24A 1.3900 . ?
C20A H20A 0.9300 . ?
C20A C21A 1.3900 . ?
C21A H21A 0.9300 . ?
C21A H21A 1.58(3) 5_575 ?
C21A C22A 1.3900 . ?
C22A H22A 0.9300 . ?
C22A C23A 1.3900 . ?
C23A H23A 0.9300 . ?
C23A C24A 1.3900 . ?
C24A H24A 0.9300 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 As1 C7A C8A -172.0(11) . . . . ?
Au1 As1 C7A C12A 13.9(15) . . . . ?
Au1 As2 C19B C24B 19.3(11) . . . . ?
Au1 As2 C19B C20B -158.9(7) . . . . ?
As1 C7B C8B C9B 178(3) . . . . ?
As1 C7B C12B C11B -178(3) . . . . ?
As1 C1 C6 C5 178.3(8) . . . . ?
As1 C1 C2 C3 -179.9(10) . . . . ?
As1 C7A C8A C9A -174.1(18) . . . . ?
As1 C7A C12A C11A 174.3(17) . . . . ?
As2 C13 C14 C15 -177.3(5) . . . . ?
As2 C13 C18 C17 177.2(5) . . . . ?
As2 C19B C20B C21B 178.1(12) . . . . ?
As2 C19A C20A C21A -176.8(12) . . . . ?
As2 C19A C24A C23A 177.0(11) . . . . ?
C7B C8B C9B C10B 0.0 . . . . ?
C8B C7B C12B C11B 0.0 . . . . ?
C8B C9B C10B C11B 0.0 . . . . ?
C9B C10B C11B C12B 0.0 . . . . ?
C10B C11B C12B C7B 0.0 . . . . ?
C12B C7B C8B C9B 0.0 . . . . ?
C13 As2 C19B C24B -111.9(9) . . . . ?
C13 As2 C19B C20B 70.0(9) . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C14 C13 C18 C17 0.0 . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C16 C17 C18 C13 0.0 . . . . ?
C18 C13 C14 C15 0.0 . . . . ?
C1 As1 C7A C8A -47.2(13) . . . . ?
C1 As1 C7A C12A 138.6(12) . . . . ?
C1 C6 C5 C4 1.4(18) . . . . ?
C6 C1 C2 C3 -1.3(17) . . . . ?
C6 C5 C4 C3 -1(2) . . . . ?
C5 C4 C3 C2 0(2) . . . . ?
C4 C3 C2 C1 2(2) . . . . ?
C2 C1 C6 C5 -0.2(15) . . . . ?
C25 As1 C7A C8A 64.2(13) . . . . ?
C25 As1 C7A C12A -110.0(13) . . . . ?
C25 As2 C19B C24B 141.7(8) 7_565 . . . ?
C25 As2 C19B C20B -36.5(9) 7_565 . . . ?
C24B C19B C20B C21B 0.0 . . . . ?
C19B C24B C23B C22B 0.0 . . . . ?
C19B C20B C21B C22B 0.0 . . . . ?
C20B C21B C22B C23B 0.0 . . . . ?
C21B C22B C23B C24B 0.0 . . . . ?
C23B C24B C19B As2 -178.2(11) . . . . ?
C23B C24B C19B C20B 0.0 . . . . ?
C7A C8A C9A C10A 0.0 . . . . ?
C8A C7A C12A C11A 0.0 . . . . ?
C8A C9A C10A C11A 0.0 . . . . ?
C9A C10A C11A C12A 0.0 . . . . ?
C10A C11A C12A C7A 0.0 . . . . ?
C12A C7A C8A C9A 0.0 . . . . ?
C19A C20A C21A C22A 0.0 . . . . ?
C20A C19A C24A C23A 0.0 . . . . ?
C20A C21A C22A C23A 0.0 . . . . ?
C21A C22A C23A C24A 0.0 . . . . ?
C22A C23A C24A C19A 0.0 . . . . ?
C24A C19A C20A C21A 0.0 . . . . ?
