#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:44:30 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179075 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/37/4303786.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_4303786
loop_
_publ_author_name
'Vincent J. Catalano'
'Adam L. Moore'
'Jason Shearer'
'Jineun Kim'
_publ_contact_author_address
;
Department of Chemistry
University of Nevada
Reno, NV  89557
;
_publ_contact_author_email       vjc@unr.edu
_publ_contact_author_name        'Professor Vincent J. Catalano'
_publ_contact_author_phone       '775 784 1329'
_publ_section_title
;
Luminescent Copper(I) Halide Butterfly Dimers Coordinated to
[Au(CH3imCH2py)2]BF4 and [Au(CH3imCH2quin)2]BF4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11362
_journal_page_last               11375
_journal_paper_doi               10.1021/ic901914n
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C20 H22 Au B Cl2 Cu2 F4 N6'
_chemical_formula_weight         828.19
_chemical_name_common            9
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2009-09-25 # Formatted by publCIF
;
_cell_angle_alpha                98.906(3)
_cell_angle_beta                 100.388(3)
_cell_angle_gamma                99.722(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9580(5)
_cell_length_b                   10.3384(5)
_cell_length_c                   12.7149(6)
_cell_measurement_reflns_used    7434
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1245.66(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_sigmaI/netI    0.0569
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25999
_diffrn_reflns_theta_full        30.96
_diffrn_reflns_theta_max         30.96
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    7.834
_exptl_absorpt_correction_T_max  0.7876
_exptl_absorpt_correction_T_min  0.4385
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.208
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.737
_refine_diff_density_min         -1.601
_refine_diff_density_rms         0.186
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         7747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0239P)²+0.1189P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0650
_refine_ls_wR_factor_ref         0.0676
_reflns_number_gt                6533
_reflns_number_total             7747
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901914n_si_001_6.cif
_cod_data_source_block           alm142
_cod_original_cell_volume        1245.66(10)
_cod_database_code               4303786
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 1.405141(15) 1.457897(13) 1.349933(11) 0.01390(4) Uani 1 1 d . . .
Cu1 Cu 1.22713(5) 1.48701(4) 1.15036(4) 0.02032(10) Uani 1 1 d . . .
Cu2 Cu 1.15015(5) 1.27625(4) 1.24408(4) 0.01954(10) Uani 1 1 d . . .
Cl1 Cl 1.03790(9) 1.44985(8) 1.24316(7) 0.01680(17) Uani 1 1 d . . .
Cl2 Cl 1.22579(10) 1.27618(8) 1.07040(7) 0.01929(18) Uani 1 1 d . . .
C1 C 1.5170(4) 1.5303(4) 1.2468(3) 0.0172(7) Uani 1 1 d . . .
C2 C 1.6588(4) 1.5530(4) 1.1290(3) 0.0256(9) Uani 1 1 d . . .
H2A H 1.7182 1.5317 1.0811 0.031 Uiso 1 1 calc R . .
C3 C 1.6210(4) 1.6720(4) 1.1529(3) 0.0238(8) Uani 1 1 d . . .
H3A H 1.6484 1.7503 1.1252 0.029 Uiso 1 1 calc R . .
C4 C 1.4557(4) 1.7564(4) 1.2617(3) 0.0191(8) Uani 1 1 d . . .
H4A H 1.5204 1.8424 1.2954 0.023 Uiso 1 1 calc R . .
H4B H 1.4056 1.7265 1.3170 0.023 Uiso 1 1 calc R . .
C5 C 1.3531(4) 1.7750(3) 1.1660(3) 0.0159(7) Uani 1 1 d . . .
C6 C 1.3608(4) 1.8977(4) 1.1335(3) 0.0199(8) Uani 1 1 d . . .
H6A H 1.4292 1.9729 1.1739 0.024 Uiso 1 1 calc R . .
C7 C 1.2684(4) 1.9101(4) 1.0419(3) 0.0235(9) Uani 1 1 d . . .
H7A H 1.2723 1.9932 1.0184 0.028 Uiso 1 1 calc R . .
C8 C 1.1701(4) 1.7982(4) 0.9856(3) 0.0235(9) Uani 1 1 d . . .
H8A H 1.1066 1.8026 0.9215 0.028 Uiso 1 1 calc R . .
C9 C 1.1656(4) 1.6808(4) 1.0237(3) 0.0193(8) Uani 1 1 d . . .
H9A H 1.0958 1.6056 0.9854 0.023 Uiso 1 1 calc R . .
C10 C 1.6070(5) 1.3291(4) 1.1805(4) 0.0289(10) Uani 1 1 d . . .
H10A H 1.5550 1.2894 1.2302 0.043 Uiso 1 1 calc R . .
H10B H 1.7053 1.3240 1.2012 0.043 Uiso 1 1 calc R . .
H10C H 1.5684 1.2801 1.1058 0.043 Uiso 1 1 calc R . .
C11 C 1.2946(4) 1.3947(3) 1.4574(3) 0.0153(7) Uani 1 1 d . . .
C12 C 1.1584(4) 1.3976(4) 1.5794(3) 0.0238(9) Uani 1 1 d . . .
H12A H 1.1036 1.4290 1.6279 0.029 Uiso 1 1 calc R . .
C13 C 1.1837(4) 1.2735(4) 1.5599(3) 0.0230(8) Uani 1 1 d . . .
H13A H 1.1498 1.2003 1.5913 0.028 Uiso 1 1 calc R . .
C14 C 1.3204(4) 1.1578(3) 1.4388(3) 0.0181(8) Uani 1 1 d . . .
H14A H 1.3615 1.1163 1.4988 0.022 Uiso 1 1 calc R . .
H14B H 1.3952 1.1884 1.4012 0.022 Uiso 1 1 calc R . .
C15 C 1.2077(4) 1.0538(3) 1.3592(3) 0.0154(7) Uani 1 1 d . . .
C16 C 1.1858(4) 0.9227(4) 1.3725(3) 0.0205(8) Uani 1 1 d . . .
H16A H 1.2380 0.8982 1.4339 0.025 Uiso 1 1 calc R . .
C17 C 1.0871(4) 0.8264(3) 1.2960(3) 0.0205(8) Uani 1 1 d . . .
H17A H 1.0712 0.7355 1.3038 0.025 Uiso 1 1 calc R . .
C18 C 1.0125(4) 0.8660(4) 1.2083(3) 0.0222(8) Uani 1 1 d . . .
H18A H 0.9450 0.8027 1.1538 0.027 Uiso 1 1 calc R . .
C19 C 1.0384(4) 0.9995(4) 1.2016(3) 0.0210(8) Uani 1 1 d . . .
H19A H 0.9850 1.0266 1.1422 0.025 Uiso 1 1 calc R . .
C20 C 1.2266(5) 1.6117(4) 1.5151(3) 0.0254(9) Uani 1 1 d . . .
H20A H 1.2009 1.6236 1.4396 0.038 Uiso 1 1 calc R . .
H20B H 1.3201 1.6647 1.5484 0.038 Uiso 1 1 calc R . .
H20C H 1.1594 1.6416 1.5561 0.038 Uiso 1 1 calc R . .
N1 N 1.5952(3) 1.4691(3) 1.1869(3) 0.0213(7) Uani 1 1 d . . .
N2 N 1.5343(3) 1.6567(3) 1.2260(2) 0.0165(6) Uani 1 1 d . . .
N3 N 1.2544(3) 1.6660(3) 1.1122(2) 0.0156(6) Uani 1 1 d . . .
N4 N 1.2257(3) 1.4703(3) 1.5167(3) 0.0173(6) Uani 1 1 d . . .
N5 N 1.2690(3) 1.2734(3) 1.4849(2) 0.0156(6) Uani 1 1 d . . .
N6 N 1.1351(3) 1.0937(3) 1.2744(2) 0.0160(6) Uani 1 1 d . . .
B1 B 0.7348(5) 1.0643(4) 1.3018(4) 0.0235(10) Uani 1 1 d . . .
F1 F 0.7653(4) 0.9596(4) 1.3505(4) 0.0358(5) Uani 0.67 1 d P A .
F2 F 0.6885(5) 1.0148(4) 1.1888(4) 0.0358(5) Uani 0.67 1 d P A .
F3 F 0.8398(5) 1.1694(5) 1.3199(4) 0.0358(5) Uani 0.67 1 d P A .
F4 F 0.6203(3) 1.0975(2) 1.3403(2) 0.0392(7) Uani 1 1 d . A .
F1A F 0.8275(9) 1.0179(8) 1.3839(7) 0.0358(5) Uani 0.33 1 d P A 3
F2A F 0.7062(10) 0.9680(8) 1.2069(8) 0.0358(5) Uani 0.33 1 d P A 3
F3A F 0.8208(12) 1.1803(10) 1.2814(8) 0.0358(5) Uani 0.33 1 d P A 3
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Au Au -2.0133 8.8022 '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
C1 Au1 C11 177.16(14) . . ?
C1 Au1 Cu2 114.07(10) . . ?
C11 Au1 Cu2 67.89(10) . . ?
C1 Au1 Cu1 68.09(11) . . ?
C11 Au1 Cu1 112.40(11) . . ?
Cu2 Au1 Cu1 55.973(14) . . ?
N3 Cu1 Cl2 137.22(9) . . ?
N3 Cu1 Cl1 112.01(9) . . ?
Cl2 Cu1 Cl1 101.02(4) . . ?
N3 Cu1 Cu2 163.20(9) . . ?
Cl2 Cu1 Cu2 58.56(3) . . ?
Cl1 Cu1 Cu2 52.31(2) . . ?
N3 Cu1 Au1 116.55(9) . . ?
Cl2 Cu1 Au1 91.36(3) . . ?
Cl1 Cu1 Au1 86.07(3) . . ?
Cu2 Cu1 Au1 61.020(15) . . ?
N6 Cu2 Cl1 142.91(10) . . ?
N6 Cu2 Cl2 107.80(9) . . ?
Cl1 Cu2 Cl2 99.03(4) . . ?
N6 Cu2 Cu1 158.18(9) . . ?
Cl1 Cu2 Cu1 57.02(3) . . ?
Cl2 Cu2 Cu1 51.50(2) . . ?
N6 Cu2 Au1 115.34(9) . . ?
Cl1 Cu2 Au1 89.94(3) . . ?
Cl2 Cu2 Au1 88.61(3) . . ?
Cu1 Cu2 Au1 63.007(15) . . ?
Cu2 Cl1 Cu1 70.67(3) . . ?
Cu1 Cl2 Cu2 69.94(3) . . ?
N1 C1 N2 104.4(3) . . ?
N1 C1 Au1 128.9(3) . . ?
N2 C1 Au1 126.6(3) . . ?
C3 C2 N1 107.1(4) . . ?
C3 C2 H2A 126.5 . . ?
N1 C2 H2A 126.5 . . ?
C2 C3 N2 106.2(4) . . ?
C2 C3 H3A 126.9 . . ?
N2 C3 H3A 126.9 . . ?
N2 C4 C5 109.8(3) . . ?
N2 C4 H4A 109.7 . . ?
C5 C4 H4A 109.7 . . ?
N2 C4 H4B 109.7 . . ?
C5 C4 H4B 109.7 . . ?
H4A C4 H4B 108.2 . . ?
N3 C5 C6 122.0(3) . . ?
N3 C5 C4 116.9(3) . . ?
C6 C5 C4 121.1(3) . . ?
C7 C6 C5 119.7(3) . . ?
C7 C6 H6A 120.2 . . ?
C5 C6 H6A 120.2 . . ?
C8 C7 C6 118.3(4) . . ?
C8 C7 H7A 120.9 . . ?
C6 C7 H7A 120.9 . . ?
C9 C8 C7 119.1(4) . . ?
C9 C8 H8A 120.5 . . ?
C7 C8 H8A 120.5 . . ?
N3 C9 C8 123.8(4) . . ?
N3 C9 H9A 118.1 . . ?
C8 C9 H9A 118.1 . . ?
N1 C10 H10A 109.5 . . ?
N1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N5 C11 N4 104.9(3) . . ?
N5 C11 Au1 129.9(2) . . ?
N4 C11 Au1 125.1(3) . . ?
C13 C12 N4 107.4(3) . . ?
C13 C12 H12A 126.3 . . ?
N4 C12 H12A 126.3 . . ?
C12 C13 N5 106.4(4) . . ?
C12 C13 H13A 126.8 . . ?
N5 C13 H13A 126.8 . . ?
N5 C14 C15 112.9(3) . . ?
N5 C14 H14A 109.0 . . ?
C15 C14 H14A 109.0 . . ?
N5 C14 H14B 109.0 . . ?
C15 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
N6 C15 C16 122.3(3) . . ?
N6 C15 C14 117.6(3) . . ?
C16 C15 C14 120.1(3) . . ?
C15 C16 C17 119.8(4) . . ?
C15 C16 H16A 120.1 . . ?
C17 C16 H16A 120.1 . . ?
C18 C17 C16 118.4(3) . . ?
C18 C17 H17A 120.8 . . ?
C16 C17 H17A 120.8 . . ?
C19 C18 C17 118.4(4) . . ?
C19 C18 H18A 120.8 . . ?
C17 C18 H18A 120.8 . . ?
N6 C19 C18 123.8(4) . . ?
N6 C19 H19A 118.1 . . ?
C18 C19 H19A 118.1 . . ?
N4 C20 H20A 109.5 . . ?
N4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C1 N1 C2 111.6(3) . . ?
C1 N1 C10 124.7(3) . . ?
C2 N1 C10 123.7(3) . . ?
C1 N2 C3 110.8(3) . . ?
C1 N2 C4 124.7(3) . . ?
C3 N2 C4 123.9(3) . . ?
C9 N3 C5 117.1(3) . . ?
C9 N3 Cu1 116.2(2) . . ?
C5 N3 Cu1 126.7(3) . . ?
C11 N4 C12 110.9(3) . . ?
C11 N4 C20 124.2(3) . . ?
C12 N4 C20 124.9(3) . . ?
C11 N5 C13 110.4(3) . . ?
C11 N5 C14 124.4(3) . . ?
C13 N5 C14 125.2(3) . . ?
C15 N6 C19 117.2(3) . . ?
C15 N6 Cu2 127.7(2) . . ?
C19 N6 Cu2 115.1(3) . . ?
F3 B1 F1 115.0(5) . . ?
F3 B1 F2A 120.9(6) . . ?
F1 B1 F2A 83.0(5) . . ?
F3 B1 F4 112.0(4) . . ?
F1 B1 F4 104.8(4) . . ?
F2A B1 F4 116.6(5) . . ?
F3 B1 F2 110.0(4) . . ?
F1 B1 F2 107.8(4) . . ?
F2A B1 F2 25.0(4) . . ?
F4 B1 F2 106.7(4) . . ?
F3 B1 F3A 21.5(4) . . ?
F1 B1 F3A 132.7(6) . . ?
F2A B1 F3A 106.5(6) . . ?
F4 B1 F3A 111.0(5) . . ?
F2 B1 F3A 90.6(5) . . ?
F3 B1 F1A 83.9(5) . . ?
F1 B1 F1A 32.3(3) . . ?
F2A B1 F1A 106.8(6) . . ?
F4 B1 F1A 111.3(5) . . ?
F2 B1 F1A 130.4(5) . . ?
F3A B1 F1A 103.9(6) . . ?
F1A F1 B1 79.5(8) . . ?
F2A F2 B1 75.6(12) . . ?
F3A F3 B1 90.4(17) . . ?
F1 F1A B1 68.2(8) . . ?
F2 F2A B1 79.4(11) . . ?
F3 F3A B1 68.1(15) . . ?
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 2.017(4) . ?
Au1 C11 2.021(4) . ?
Au1 Cu2 2.8566(5) . ?
Au1 Cu1 2.9097(5) . ?
Cu1 N3 1.972(3) . ?
Cu1 Cl2 2.2547(9) . ?
Cu1 Cl1 2.4059(10) . ?
Cu1 Cu2 2.7063(7) . ?
Cu2 N6 1.970(3) . ?
Cu2 Cl1 2.2694(9) . ?
Cu2 Cl2 2.4582(10) . ?
C1 N1 1.348(5) . ?
C1 N2 1.363(5) . ?
C2 C3 1.353(6) . ?
C2 N1 1.370(5) . ?
C2 H2A 0.9500 . ?
C3 N2 1.386(5) . ?
C3 H3A 0.9500 . ?
C4 N2 1.462(5) . ?
C4 C5 1.500(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 N3 1.360(4) . ?
C5 C6 1.388(5) . ?
C6 C7 1.385(6) . ?
C6 H6A 0.9500 . ?
C7 C8 1.385(5) . ?
C7 H7A 0.9500 . ?
C8 C9 1.371(5) . ?
C8 H8A 0.9500 . ?
C9 N3 1.346(5) . ?
C9 H9A 0.9500 . ?
C10 N1 1.462(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 N5 1.349(4) . ?
C11 N4 1.354(4) . ?
C12 C13 1.344(6) . ?
C12 N4 1.362(5) . ?
C12 H12A 0.9500 . ?
C13 N5 1.386(5) . ?
C13 H13A 0.9500 . ?
C14 N5 1.460(4) . ?
C14 C15 1.512(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 N6 1.347(5) . ?
C15 C16 1.378(5) . ?
C16 C17 1.389(5) . ?
C16 H16A 0.9500 . ?
C17 C18 1.381(6) . ?
C17 H17A 0.9500 . ?
C18 C19 1.380(5) . ?
C18 H18A 0.9500 . ?
C19 N6 1.347(5) . ?
C19 H19A 0.9500 . ?
C20 N4 1.465(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
B1 F3 1.334(7) . ?
B1 F1 1.378(6) . ?
B1 F2A 1.391(10) . ?
B1 F4 1.393(5) . ?
B1 F2 1.412(7) . ?
B1 F3A 1.438(12) . ?
B1 F1A 1.459(10) . ?
F1 F1A 0.792(8) . ?
F2 F2A 0.606(8) . ?
F3 F3A 0.528(10) . ?
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
C1 Au1 Cu1 N3 -55.48(14) . . . . ?
C11 Au1 Cu1 N3 121.50(14) . . . . ?
Cu2 Au1 Cu1 N3 161.19(10) . . . . ?
C1 Au1 Cu1 Cl2 90.89(11) . . . . ?
C11 Au1 Cu1 Cl2 -92.14(10) . . . . ?
Cu2 Au1 Cu1 Cl2 -52.45(3) . . . . ?
C1 Au1 Cu1 Cl1 -168.16(11) . . . . ?
C11 Au1 Cu1 Cl1 8.81(10) . . . . ?
Cu2 Au1 Cu1 Cl1 48.50(2) . . . . ?
C1 Au1 Cu1 Cu2 143.33(11) . . . . ?
C11 Au1 Cu1 Cu2 -39.69(10) . . . . ?
N3 Cu1 Cu2 N6 -177.3(4) . . . . ?
Cl2 Cu1 Cu2 N6 20.6(3) . . . . ?
Cl1 Cu1 Cu2 N6 159.7(3) . . . . ?
Au1 Cu1 Cu2 N6 -91.1(3) . . . . ?
N3 Cu1 Cu2 Cl1 23.0(3) . . . . ?
Cl2 Cu1 Cu2 Cl1 -139.05(4) . . . . ?
Au1 Cu1 Cu2 Cl1 109.21(3) . . . . ?
N3 Cu1 Cu2 Cl2 162.1(3) . . . . ?
Cl1 Cu1 Cu2 Cl2 139.05(4) . . . . ?
Au1 Cu1 Cu2 Cl2 -111.74(3) . . . . ?
N3 Cu1 Cu2 Au1 -86.2(3) . . . . ?
Cl2 Cu1 Cu2 Au1 111.74(3) . . . . ?
Cl1 Cu1 Cu2 Au1 -109.21(3) . . . . ?
C1 Au1 Cu2 N6 118.36(15) . . . . ?
C11 Au1 Cu2 N6 -63.87(14) . . . . ?
Cu1 Au1 Cu2 N6 155.72(10) . . . . ?
C1 Au1 Cu2 Cl1 -89.75(11) . . . . ?
C11 Au1 Cu2 Cl1 88.02(11) . . . . ?
Cu1 Au1 Cu2 Cl1 -52.39(3) . . . . ?
C1 Au1 Cu2 Cl2 9.29(11) . . . . ?
C11 Au1 Cu2 Cl2 -172.95(11) . . . . ?
Cu1 Au1 Cu2 Cl2 46.65(2) . . . . ?
C1 Au1 Cu2 Cu1 -37.36(11) . . . . ?
C11 Au1 Cu2 Cu1 140.41(11) . . . . ?
N6 Cu2 Cl1 Cu1 -167.63(15) . . . . ?
Cl2 Cu2 Cl1 Cu1 -31.29(3) . . . . ?
Au1 Cu2 Cl1 Cu1 57.29(2) . . . . ?
N3 Cu1 Cl1 Cu2 -173.00(10) . . . . ?
Cl2 Cu1 Cl1 Cu2 34.73(4) . . . . ?
Au1 Cu1 Cl1 Cu2 -55.90(2) . . . . ?
N3 Cu1 Cl2 Cu2 -172.47(14) . . . . ?
Cl1 Cu1 Cl2 Cu2 -31.89(3) . . . . ?
Au1 Cu1 Cl2 Cu2 54.37(2) . . . . ?
N6 Cu2 Cl2 Cu1 -172.11(10) . . . . ?
Cl1 Cu2 Cl2 Cu1 33.82(4) . . . . ?
Au1 Cu2 Cl2 Cu1 -55.89(2) . . . . ?
C11 Au1 C1 N1 151(3) . . . . ?
Cu2 Au1 C1 N1 -75.5(4) . . . . ?
Cu1 Au1 C1 N1 -108.3(4) . . . . ?
C11 Au1 C1 N2 -26(3) . . . . ?
Cu2 Au1 C1 N2 107.5(3) . . . . ?
Cu1 Au1 C1 N2 74.7(3) . . . . ?
N1 C2 C3 N2 0.1(5) . . . . ?
N2 C4 C5 N3 60.9(4) . . . . ?
N2 C4 C5 C6 -118.1(4) . . . . ?
N3 C5 C6 C7 -1.8(6) . . . . ?
C4 C5 C6 C7 177.1(4) . . . . ?
C5 C6 C7 C8 0.2(6) . . . . ?
C6 C7 C8 C9 1.5(6) . . . . ?
C7 C8 C9 N3 -1.8(6) . . . . ?
C1 Au1 C11 N5 -156(3) . . . . ?
Cu2 Au1 C11 N5 70.3(3) . . . . ?
Cu1 Au1 C11 N5 105.2(3) . . . . ?
C1 Au1 C11 N4 26(3) . . . . ?
Cu2 Au1 C11 N4 -107.9(3) . . . . ?
Cu1 Au1 C11 N4 -73.0(3) . . . . ?
N4 C12 C13 N5 0.6(4) . . . . ?
N5 C14 C15 N6 55.7(4) . . . . ?
N5 C14 C15 C16 -126.7(4) . . . . ?
N6 C15 C16 C17 0.9(6) . . . . ?
C14 C15 C16 C17 -176.6(3) . . . . ?
C15 C16 C17 C18 -0.4(6) . . . . ?
C16 C17 C18 C19 -0.8(6) . . . . ?
C17 C18 C19 N6 1.7(6) . . . . ?
N2 C1 N1 C2 -0.7(4) . . . . ?
Au1 C1 N1 C2 -178.2(3) . . . . ?
N2 C1 N1 C10 -178.4(4) . . . . ?
Au1 C1 N1 C10 4.1(6) . . . . ?
C3 C2 N1 C1 0.4(5) . . . . ?
C3 C2 N1 C10 178.1(4) . . . . ?
N1 C1 N2 C3 0.8(4) . . . . ?
Au1 C1 N2 C3 178.4(3) . . . . ?
N1 C1 N2 C4 171.7(3) . . . . ?
Au1 C1 N2 C4 -10.6(5) . . . . ?
C2 C3 N2 C1 -0.5(5) . . . . ?
C2 C3 N2 C4 -171.6(3) . . . . ?
C5 C4 N2 C1 -107.2(4) . . . . ?
C5 C4 N2 C3 62.7(4) . . . . ?
C8 C9 N3 C5 0.3(6) . . . . ?
C8 C9 N3 Cu1 -179.8(3) . . . . ?
C6 C5 N3 C9 1.6(5) . . . . ?
C4 C5 N3 C9 -177.4(3) . . . . ?
C6 C5 N3 Cu1 -178.4(3) . . . . ?
C4 C5 N3 Cu1 2.7(5) . . . . ?
Cl2 Cu1 N3 C9 58.8(3) . . . . ?
Cl1 Cu1 N3 C9 -78.9(3) . . . . ?
Cu2 Cu1 N3 C9 -98.4(4) . . . . ?
Au1 Cu1 N3 C9 -175.8(2) . . . . ?
Cl2 Cu1 N3 C5 -121.2(3) . . . . ?
Cl1 Cu1 N3 C5 101.0(3) . . . . ?
Cu2 Cu1 N3 C5 81.5(4) . . . . ?
Au1 Cu1 N3 C5 4.1(3) . . . . ?
N5 C11 N4 C12 -0.2(4) . . . . ?
Au1 C11 N4 C12 178.4(3) . . . . ?
N5 C11 N4 C20 178.6(3) . . . . ?
Au1 C11 N4 C20 -2.9(5) . . . . ?
C13 C12 N4 C11 -0.2(5) . . . . ?
C13 C12 N4 C20 -179.0(4) . . . . ?
N4 C11 N5 C13 0.6(4) . . . . ?
Au1 C11 N5 C13 -177.9(3) . . . . ?
N4 C11 N5 C14 178.7(3) . . . . ?
Au1 C11 N5 C14 0.2(5) . . . . ?
C12 C13 N5 C11 -0.7(4) . . . . ?
C12 C13 N5 C14 -178.8(3) . . . . ?
C15 C14 N5 C11 -106.3(4) . . . . ?
C15 C14 N5 C13 71.5(5) . . . . ?
C16 C15 N6 C19 0.0(5) . . . . ?
C14 C15 N6 C19 177.6(3) . . . . ?
C16 C15 N6 Cu2 178.8(3) . . . . ?
C14 C15 N6 Cu2 -3.6(5) . . . . ?
C18 C19 N6 C15 -1.3(6) . . . . ?
C18 C19 N6 Cu2 179.7(3) . . . . ?
Cl1 Cu2 N6 C15 -107.9(3) . . . . ?
Cl2 Cu2 N6 C15 117.8(3) . . . . ?
Cu1 Cu2 N6 C15 101.0(3) . . . . ?
Au1 Cu2 N6 C15 20.7(3) . . . . ?
Cl1 Cu2 N6 C19 70.9(3) . . . . ?
Cl2 Cu2 N6 C19 -63.3(3) . . . . ?
Cu1 Cu2 N6 C19 -80.1(4) . . . . ?
Au1 Cu2 N6 C19 -160.4(2) . . . . ?
F3 B1 F1 F1A 16.9(8) . . . . ?
F2A B1 F1 F1A 137.8(9) . . . . ?
F4 B1 F1 F1A -106.5(8) . . . . ?
F2 B1 F1 F1A 140.0(8) . . . . ?
F3A B1 F1 F1A 31.9(11) . . . . ?
F3 B1 F2 F2A 120.8(13) . . . . ?
F1 B1 F2 F2A -5.3(13) . . . . ?
F4 B1 F2 F2A -117.4(12) . . . . ?
F3A B1 F2 F2A 130.4(13) . . . . ?
F1A B1 F2 F2A 21.5(15) . . . . ?
F1 B1 F3 F3A 149.0(15) . . . . ?
F2A B1 F3 F3A 52.0(17) . . . . ?
F4 B1 F3 F3A -91.5(16) . . . . ?
F2 B1 F3 F3A 27.0(16) . . . . ?
F1A B1 F3 F3A 158.0(15) . . . . ?
F3 B1 F1A F1 -164.6(8) . . . . ?
F2A B1 F1A F1 -44.1(9) . . . . ?
F4 B1 F1A F1 84.1(7) . . . . ?
F2 B1 F1A F1 -53.4(10) . . . . ?
F3A B1 F1A F1 -156.4(8) . . . . ?
F3 B1 F2A F2 -70.1(13) . . . . ?
F1 B1 F2A F2 175.0(12) . . . . ?
F4 B1 F2A F2 71.9(13) . . . . ?
F3A B1 F2A F2 -52.5(13) . . . . ?
F1A B1 F2A F2 -163.0(12) . . . . ?
F1 B1 F3A F3 -39.5(18) . . . . ?
F2A B1 F3A F3 -135.1(15) . . . . ?
F4 B1 F3A F3 97.1(15) . . . . ?
F2 B1 F3A F3 -154.7(15) . . . . ?
F1A B1 F3A F3 -22.6(16) . . . . ?
