#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:44:30 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179075 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/37/4303787.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_4303787
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 Br2 Cu2 F4 N6'
_chemical_formula_weight         917.11
_chemical_name_common            10
_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                98.4330(10)
_cell_angle_beta                 102.0750(10)
_cell_angle_gamma                97.5990(10)
_cell_formula_units_Z            2
_cell_length_a                   9.9074(2)
_cell_length_b                   10.2809(2)
_cell_length_c                   13.1628(2)
_cell_measurement_reflns_used    7604
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.71
_cell_measurement_theta_min      2.35
_cell_volume                     1278.36(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0544
_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       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25565
_diffrn_reflns_theta_full        31.00
_diffrn_reflns_theta_max         31.00
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    10.550
_exptl_absorpt_correction_T_max  0.8088
_exptl_absorpt_correction_T_min  0.2316
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.383
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.646
_refine_diff_density_min         -1.236
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         8061
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0206P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0531
_refine_ls_wR_factor_ref         0.0562
_reflns_number_gt                6539
_reflns_number_total             8061
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901914n_si_001_7.cif
_cod_data_source_block           alm114
_cod_database_code               4303787
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 0.088114(14) 0.539499(13) 0.148468(10) 0.01157(4) Uani 1 1 d . . .
Cu1 Cu 0.26782(5) 0.50395(4) 0.34043(4) 0.01828(10) Uani 1 1 d . . .
Cu2 Cu 0.32985(5) 0.72206(4) 0.26728(3) 0.01729(10) Uani 1 1 d . . .
Br1 Br 0.47048(4) 0.54695(3) 0.26045(3) 0.01629(8) Uani 1 1 d . . .
Br2 Br 0.25731(4) 0.71859(3) 0.43672(3) 0.01925(8) Uani 1 1 d . . .
C1 C -0.0282(4) 0.4663(3) 0.2433(3) 0.0132(7) Uani 1 1 d . . .
C2 C -0.1762(4) 0.4440(4) 0.3498(3) 0.0205(8) Uani 1 1 d . . .
H2A H -0.2387 0.4652 0.3931 0.025 Uiso 1 1 calc R . .
C3 C -0.1349(4) 0.3251(4) 0.3290(3) 0.0186(8) Uani 1 1 d . . .
H3A H -0.1624 0.2465 0.3547 0.022 Uiso 1 1 calc R . .
C4 C 0.0390(4) 0.2405(3) 0.2339(3) 0.0151(7) Uani 1 1 d . . .
H4A H 0.0915 0.2701 0.1828 0.018 Uiso 1 1 calc R . .
H4B H -0.0235 0.1552 0.1995 0.018 Uiso 1 1 calc R . .
C5 C 0.1396(4) 0.2199(3) 0.3303(3) 0.0137(7) Uani 1 1 d . . .
C6 C 0.1288(4) 0.1012(3) 0.3669(3) 0.0177(7) Uani 1 1 d . . .
H6A H 0.0609 0.0272 0.3275 0.021 Uiso 1 1 calc R . .
C7 C 0.2161(4) 0.0889(4) 0.4605(3) 0.0210(8) Uani 1 1 d . . .
H7A H 0.2078 0.0081 0.4873 0.025 Uiso 1 1 calc R . .
C8 C 0.3158(4) 0.1977(4) 0.5138(3) 0.0201(8) Uani 1 1 d . . .
H8A H 0.3775 0.1934 0.5786 0.024 Uiso 1 1 calc R . .
C9 C 0.3244(4) 0.3126(4) 0.4714(3) 0.0175(7) Uani 1 1 d . . .
H9A H 0.3950 0.3860 0.5076 0.021 Uiso 1 1 calc R . .
C10 C -0.1239(4) 0.6701(4) 0.3016(3) 0.0234(9) Uani 1 1 d . . .
H10A H -0.0783 0.7070 0.2504 0.035 Uiso 1 1 calc R . .
H10B H -0.0791 0.7195 0.3729 0.035 Uiso 1 1 calc R . .
H10C H -0.2233 0.6782 0.2851 0.035 Uiso 1 1 calc R . .
C11 C 0.2034(4) 0.5995(3) 0.0484(2) 0.0115(7) Uani 1 1 d . . .
C12 C 0.3470(4) 0.5907(4) -0.0620(3) 0.0185(8) Uani 1 1 d . . .
H12A H 0.4040 0.5564 -0.1057 0.022 Uiso 1 1 calc R . .
C13 C 0.3242(4) 0.7167(4) -0.0443(3) 0.0198(8) Uani 1 1 d . . .
H13A H 0.3618 0.7891 -0.0730 0.024 Uiso 1 1 calc R . .
C14 C 0.1815(4) 0.8395(3) 0.0628(3) 0.0160(7) Uani 1 1 d . . .
H14A H 0.1039 0.8122 0.0960 0.019 Uiso 1 1 calc R . .
H14B H 0.1430 0.8812 0.0023 0.019 Uiso 1 1 calc R . .
C15 C 0.2911(4) 0.9409(3) 0.1417(3) 0.0125(7) Uani 1 1 d . . .
C16 C 0.3234(4) 1.0697(3) 0.1239(3) 0.0191(8) Uani 1 1 d . . .
H16A H 0.2796 1.0935 0.0594 0.023 Uiso 1 1 calc R . .
C17 C 0.4188(4) 1.1628(3) 0.1994(3) 0.0205(8) Uani 1 1 d . . .
H17A H 0.4411 1.2515 0.1880 0.025 Uiso 1 1 calc R . .
C18 C 0.4818(4) 1.1256(3) 0.2924(3) 0.0181(8) Uani 1 1 d . . .
H18A H 0.5475 1.1879 0.3465 0.022 Uiso 1 1 calc R . .
C19 C 0.4462(4) 0.9954(3) 0.3040(3) 0.0173(7) Uani 1 1 d . . .
H19A H 0.4903 0.9694 0.3674 0.021 Uiso 1 1 calc R . .
C20 C 0.2651(4) 0.3768(3) -0.0045(3) 0.0218(8) Uani 1 1 d . . .
H20A H 0.2822 0.3612 0.0684 0.033 Uiso 1 1 calc R . .
H20B H 0.3364 0.3440 -0.0383 0.033 Uiso 1 1 calc R . .
H20C H 0.1721 0.3293 -0.0435 0.033 Uiso 1 1 calc R . .
N1 N -0.1106(3) 0.5290(3) 0.2965(2) 0.0159(6) Uani 1 1 d . . .
N2 N -0.0443(3) 0.3402(3) 0.2628(2) 0.0147(6) Uani 1 1 d . . .
N3 N 0.2380(3) 0.3262(3) 0.3817(2) 0.0146(6) Uani 1 1 d . . .
N4 N 0.2720(3) 0.5202(3) -0.0047(2) 0.0140(6) Uani 1 1 d . . .
N5 N 0.2355(3) 0.7208(3) 0.0238(2) 0.0131(6) Uani 1 1 d . . .
N6 N 0.3531(3) 0.9028(3) 0.2313(2) 0.0137(6) Uani 1 1 d . . .
B1 B 0.7572(5) 0.9420(4) 0.1904(4) 0.0201(9) Uani 1 1 d . . .
F1 F 0.7939(3) 0.9750(3) 0.29889(19) 0.0446(7) Uani 1 1 d . . .
F2 F 0.7248(3) 1.0533(3) 0.1501(2) 0.0456(7) Uani 1 1 d . . .
F3 F 0.6451(3) 0.8405(2) 0.1591(2) 0.0460(7) Uani 1 1 d . . .
F4 F 0.8716(2) 0.9056(2) 0.15327(19) 0.0308(6) Uani 1 1 d . . .
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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 175.99(13) . . ?
C1 Au1 Cu2 111.56(10) . . ?
C11 Au1 Cu2 71.15(9) . . ?
C1 Au1 Cu1 70.01(9) . . ?
C11 Au1 Cu1 110.35(9) . . ?
Cu2 Au1 Cu1 54.496(12) . . ?
N3 Cu1 Br2 128.92(8) . . ?
N3 Cu1 Br1 115.08(8) . . ?
Br2 Cu1 Br1 104.05(2) . . ?
N3 Cu1 Cu2 171.22(8) . . ?
Br2 Cu1 Cu2 59.159(16) . . ?
Br1 Cu1 Cu2 56.692(16) . . ?
N3 Cu1 Au1 117.04(9) . . ?
Br2 Cu1 Au1 94.314(16) . . ?
Br1 Cu1 Au1 88.846(16) . . ?
Cu2 Cu1 Au1 62.204(14) . . ?
N6 Cu2 Br1 132.32(8) . . ?
N6 Cu2 Br2 112.72(8) . . ?
Br1 Cu2 Br2 103.232(19) . . ?
N6 Cu2 Cu1 168.10(8) . . ?
Br1 Cu2 Cu1 58.674(16) . . ?
Br2 Cu2 Cu1 56.158(16) . . ?
N6 Cu2 Au1 116.57(8) . . ?
Br1 Cu2 Au1 90.569(16) . . ?
Br2 Cu2 Au1 93.256(17) . . ?
Cu1 Cu2 Au1 63.300(14) . . ?
Cu2 Br1 Cu1 64.635(17) . . ?
Cu1 Br2 Cu2 64.684(16) . . ?
N1 C1 N2 105.1(3) . . ?
N1 C1 Au1 128.2(2) . . ?
N2 C1 Au1 126.7(2) . . ?
C3 C2 N1 107.1(3) . . ?
C3 C2 H2A 126.5 . . ?
N1 C2 H2A 126.5 . . ?
C2 C3 N2 106.4(3) . . ?
C2 C3 H3A 126.8 . . ?
N2 C3 H3A 126.8 . . ?
N2 C4 C5 110.2(3) . . ?
N2 C4 H4A 109.6 . . ?
C5 C4 H4A 109.6 . . ?
N2 C4 H4B 109.6 . . ?
C5 C4 H4B 109.6 . . ?
H4A C4 H4B 108.1 . . ?
N3 C5 C6 121.7(3) . . ?
N3 C5 C4 116.3(3) . . ?
C6 C5 C4 121.9(3) . . ?
C5 C6 C7 120.4(3) . . ?
C5 C6 H6A 119.8 . . ?
C7 C6 H6A 119.8 . . ?
C8 C7 C6 118.0(3) . . ?
C8 C7 H7A 121.0 . . ?
C6 C7 H7A 121.0 . . ?
C9 C8 C7 118.9(3) . . ?
C9 C8 H8A 120.6 . . ?
C7 C8 H8A 120.6 . . ?
N3 C9 C8 123.5(3) . . ?
N3 C9 H9A 118.3 . . ?
C8 C9 H9A 118.3 . . ?
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 . . ?
N4 C11 N5 105.1(3) . . ?
N4 C11 Au1 124.2(2) . . ?
N5 C11 Au1 130.6(2) . . ?
C13 C12 N4 106.8(3) . . ?
C13 C12 H12A 126.6 . . ?
N4 C12 H12A 126.6 . . ?
C12 C13 N5 106.6(3) . . ?
C12 C13 H13A 126.7 . . ?
N5 C13 H13A 126.7 . . ?
N5 C14 C15 113.0(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 121.7(3) . . ?
N6 C15 C14 117.5(3) . . ?
C16 C15 C14 120.8(3) . . ?
C17 C16 C15 119.9(3) . . ?
C17 C16 H16A 120.0 . . ?
C15 C16 H16A 120.0 . . ?
C16 C17 C18 119.0(3) . . ?
C16 C17 H17A 120.5 . . ?
C18 C17 H17A 120.5 . . ?
C19 C18 C17 117.9(3) . . ?
C19 C18 H18A 121.1 . . ?
C17 C18 H18A 121.1 . . ?
N6 C19 C18 124.1(3) . . ?
N6 C19 H19A 118.0 . . ?
C18 C19 H19A 118.0 . . ?
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 110.8(3) . . ?
C1 N1 C10 125.0(3) . . ?
C2 N1 C10 124.2(3) . . ?
C1 N2 C3 110.6(3) . . ?
C1 N2 C4 124.9(3) . . ?
C3 N2 C4 123.7(3) . . ?
C9 N3 C5 117.5(3) . . ?
C9 N3 Cu1 115.5(2) . . ?
C5 N3 Cu1 127.0(2) . . ?
C11 N4 C12 110.9(3) . . ?
C11 N4 C20 124.7(3) . . ?
C12 N4 C20 124.4(3) . . ?
C11 N5 C13 110.6(3) . . ?
C11 N5 C14 124.5(3) . . ?
C13 N5 C14 125.0(3) . . ?
C19 N6 C15 117.4(3) . . ?
C19 N6 Cu2 114.9(2) . . ?
C15 N6 Cu2 127.6(2) . . ?
F3 B1 F2 110.5(4) . . ?
F3 B1 F1 110.0(4) . . ?
F2 B1 F1 108.6(3) . . ?
F3 B1 F4 110.8(3) . . ?
F2 B1 F4 107.4(3) . . ?
F1 B1 F4 109.5(3) . . ?
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 2.025(3) . ?
Au1 C11 2.026(3) . ?
Au1 Cu2 2.8439(5) . ?
Au1 Cu1 2.8720(5) . ?
Cu1 N3 1.985(3) . ?
Cu1 Br2 2.4046(5) . ?
Cu1 Br1 2.4741(6) . ?
Cu1 Cu2 2.6171(6) . ?
Cu2 N6 1.981(3) . ?
Cu2 Br1 2.4205(5) . ?
Cu2 Br2 2.4857(6) . ?
C1 N1 1.348(4) . ?
C1 N2 1.353(4) . ?
C2 C3 1.348(5) . ?
C2 N1 1.378(4) . ?
C2 H2A 0.9500 . ?
C3 N2 1.385(4) . ?
C3 H3A 0.9500 . ?
C4 N2 1.456(4) . ?
C4 C5 1.502(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 N3 1.352(4) . ?
C5 C6 1.375(5) . ?
C6 C7 1.382(5) . ?
C6 H6A 0.9500 . ?
C7 C8 1.381(5) . ?
C7 H7A 0.9500 . ?
C8 C9 1.378(5) . ?
C8 H8A 0.9500 . ?
C9 N3 1.343(4) . ?
C9 H9A 0.9500 . ?
C10 N1 1.468(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 N4 1.338(4) . ?
C11 N5 1.348(4) . ?
C12 C13 1.340(5) . ?
C12 N4 1.378(4) . ?
C12 H12A 0.9500 . ?
C13 N5 1.381(4) . ?
C13 H13A 0.9500 . ?
C14 N5 1.464(4) . ?
C14 C15 1.502(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 N6 1.347(4) . ?
C15 C16 1.387(5) . ?
C16 C17 1.373(5) . ?
C16 H16A 0.9500 . ?
C17 C18 1.385(5) . ?
C17 H17A 0.9500 . ?
C18 C19 1.377(5) . ?
C18 H18A 0.9500 . ?
C19 N6 1.344(4) . ?
C19 H19A 0.9500 . ?
C20 N4 1.468(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
B1 F3 1.367(5) . ?
B1 F2 1.377(5) . ?
B1 F1 1.377(5) . ?
B1 F4 1.397(5) . ?
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 52.14(14) . . . . ?
C11 Au1 Cu1 N3 -123.60(13) . . . . ?
Cu2 Au1 Cu1 N3 -170.15(10) . . . . ?
C1 Au1 Cu1 Br2 -86.10(10) . . . . ?
C11 Au1 Cu1 Br2 98.16(10) . . . . ?
Cu2 Au1 Cu1 Br2 51.615(17) . . . . ?
C1 Au1 Cu1 Br1 169.90(10) . . . . ?
C11 Au1 Cu1 Br1 -5.85(10) . . . . ?
Cu2 Au1 Cu1 Br1 -52.390(16) . . . . ?
C1 Au1 Cu1 Cu2 -137.71(10) . . . . ?
C11 Au1 Cu1 Cu2 46.54(10) . . . . ?
N3 Cu1 Cu2 N6 179.7(7) . . . . ?
Br2 Cu1 Cu2 N6 -22.1(4) . . . . ?
Br1 Cu1 Cu2 N6 -159.0(4) . . . . ?
Au1 Cu1 Cu2 N6 92.4(4) . . . . ?
N3 Cu1 Cu2 Br1 -21.2(6) . . . . ?
Br2 Cu1 Cu2 Br1 136.95(2) . . . . ?
Au1 Cu1 Cu2 Br1 -108.610(16) . . . . ?
N3 Cu1 Cu2 Br2 -158.2(6) . . . . ?
Br1 Cu1 Cu2 Br2 -136.95(2) . . . . ?
Au1 Cu1 Cu2 Br2 114.443(17) . . . . ?
N3 Cu1 Cu2 Au1 87.4(6) . . . . ?
Br2 Cu1 Cu2 Au1 -114.443(17) . . . . ?
Br1 Cu1 Cu2 Au1 108.610(16) . . . . ?
C1 Au1 Cu2 N6 -123.84(13) . . . . ?
C11 Au1 Cu2 N6 59.31(13) . . . . ?
Cu1 Au1 Cu2 N6 -166.68(9) . . . . ?
C1 Au1 Cu2 Br1 96.89(10) . . . . ?
C11 Au1 Cu2 Br1 -79.96(10) . . . . ?
Cu1 Au1 Cu2 Br1 54.056(16) . . . . ?
C1 Au1 Cu2 Br2 -6.40(10) . . . . ?
C11 Au1 Cu2 Br2 176.75(10) . . . . ?
Cu1 Au1 Cu2 Br2 -49.232(16) . . . . ?
C1 Au1 Cu2 Cu1 42.84(10) . . . . ?
C11 Au1 Cu2 Cu1 -134.01(10) . . . . ?
N6 Cu2 Br1 Cu1 174.27(12) . . . . ?
Br2 Cu2 Br1 Cu1 35.625(19) . . . . ?
Au1 Cu2 Br1 Cu1 -57.854(15) . . . . ?
N3 Cu1 Br1 Cu2 176.50(10) . . . . ?
Br2 Cu1 Br1 Cu2 -37.173(19) . . . . ?
Au1 Cu1 Br1 Cu2 56.985(15) . . . . ?
N3 Cu1 Br2 Cu2 175.82(11) . . . . ?
Br1 Cu1 Br2 Cu2 36.025(18) . . . . ?
Au1 Cu1 Br2 Cu2 -53.864(15) . . . . ?
N6 Cu2 Br2 Cu1 175.18(9) . . . . ?
Br1 Cu2 Br2 Cu1 -36.803(19) . . . . ?
Au1 Cu2 Br2 Cu1 54.549(15) . . . . ?
C11 Au1 C1 N1 -154.5(17) . . . . ?
Cu2 Au1 C1 N1 73.5(3) . . . . ?
Cu1 Au1 C1 N1 109.6(3) . . . . ?
C11 Au1 C1 N2 22(2) . . . . ?
Cu2 Au1 C1 N2 -109.7(3) . . . . ?
Cu1 Au1 C1 N2 -73.6(3) . . . . ?
N1 C2 C3 N2 0.0(4) . . . . ?
N2 C4 C5 N3 -63.5(4) . . . . ?
N2 C4 C5 C6 113.9(4) . . . . ?
N3 C5 C6 C7 2.4(5) . . . . ?
C4 C5 C6 C7 -174.8(3) . . . . ?
C5 C6 C7 C8 -1.7(5) . . . . ?
C6 C7 C8 C9 -0.3(5) . . . . ?
C7 C8 C9 N3 1.8(6) . . . . ?
C1 Au1 C11 N4 -22(2) . . . . ?
Cu2 Au1 C11 N4 111.4(3) . . . . ?
Cu1 Au1 C11 N4 72.8(3) . . . . ?
C1 Au1 C11 N5 162.3(17) . . . . ?
Cu2 Au1 C11 N5 -64.7(3) . . . . ?
Cu1 Au1 C11 N5 -103.4(3) . . . . ?
N4 C12 C13 N5 0.0(4) . . . . ?
N5 C14 C15 N6 -60.3(4) . . . . ?
N5 C14 C15 C16 121.6(3) . . . . ?
N6 C15 C16 C17 -1.3(5) . . . . ?
C14 C15 C16 C17 176.6(3) . . . . ?
C15 C16 C17 C18 0.4(5) . . . . ?
C16 C17 C18 C19 0.6(5) . . . . ?
C17 C18 C19 N6 -0.8(5) . . . . ?
N2 C1 N1 C2 0.8(4) . . . . ?
Au1 C1 N1 C2 178.1(3) . . . . ?
N2 C1 N1 C10 177.9(3) . . . . ?
Au1 C1 N1 C10 -4.7(5) . . . . ?
C3 C2 N1 C1 -0.5(4) . . . . ?
C3 C2 N1 C10 -177.7(3) . . . . ?
N1 C1 N2 C3 -0.8(4) . . . . ?
Au1 C1 N2 C3 -178.2(2) . . . . ?
N1 C1 N2 C4 -171.1(3) . . . . ?
Au1 C1 N2 C4 11.5(5) . . . . ?
C2 C3 N2 C1 0.5(4) . . . . ?
C2 C3 N2 C4 171.0(3) . . . . ?
C5 C4 N2 C1 106.5(4) . . . . ?
C5 C4 N2 C3 -62.5(4) . . . . ?
C8 C9 N3 C5 -1.1(5) . . . . ?
C8 C9 N3 Cu1 177.8(3) . . . . ?
C6 C5 N3 C9 -1.0(5) . . . . ?
C4 C5 N3 C9 176.4(3) . . . . ?
C6 C5 N3 Cu1 -179.8(3) . . . . ?
C4 C5 N3 Cu1 -2.5(4) . . . . ?
Br2 Cu1 N3 C9 -59.1(3) . . . . ?
Br1 Cu1 N3 C9 77.2(2) . . . . ?
Cu2 Cu1 N3 C9 96.7(6) . . . . ?
Au1 Cu1 N3 C9 179.6(2) . . . . ?
Br2 Cu1 N3 C5 119.8(3) . . . . ?
Br1 Cu1 N3 C5 -103.9(3) . . . . ?
Cu2 Cu1 N3 C5 -84.4(7) . . . . ?
Au1 Cu1 N3 C5 -1.6(3) . . . . ?
N5 C11 N4 C12 0.2(4) . . . . ?
Au1 C11 N4 C12 -176.8(2) . . . . ?
N5 C11 N4 C20 -178.1(3) . . . . ?
Au1 C11 N4 C20 4.9(5) . . . . ?
C13 C12 N4 C11 -0.1(4) . . . . ?
C13 C12 N4 C20 178.2(3) . . . . ?
N4 C11 N5 C13 -0.1(4) . . . . ?
Au1 C11 N5 C13 176.5(3) . . . . ?
N4 C11 N5 C14 178.9(3) . . . . ?
Au1 C11 N5 C14 -4.4(5) . . . . ?
C12 C13 N5 C11 0.1(4) . . . . ?
C12 C13 N5 C14 -179.0(3) . . . . ?
C15 C14 N5 C11 109.1(4) . . . . ?
C15 C14 N5 C13 -72.0(4) . . . . ?
C18 C19 N6 C15 -0.1(5) . . . . ?
C18 C19 N6 Cu2 177.4(3) . . . . ?
C16 C15 N6 C19 1.2(5) . . . . ?
C14 C15 N6 C19 -176.9(3) . . . . ?
C16 C15 N6 Cu2 -175.9(3) . . . . ?
C14 C15 N6 Cu2 6.0(4) . . . . ?
Br1 Cu2 N6 C19 -77.9(3) . . . . ?
Br2 Cu2 N6 C19 57.9(2) . . . . ?
Cu1 Cu2 N6 C19 77.7(5) . . . . ?
Au1 Cu2 N6 C19 164.0(2) . . . . ?
Br1 Cu2 N6 C15 99.3(3) . . . . ?
Br2 Cu2 N6 C15 -124.9(3) . . . . ?
Cu1 Cu2 N6 C15 -105.2(4) . . . . ?
Au1 Cu2 N6 C15 -18.8(3) . . . . ?
