#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/76/1517624.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_1517624
loop_
_publ_author_name
'Jeffrey S. Ovens'
'Kimberley N. Truong'
'Daniel B. Leznoff'
_publ_section_title
;
 Targeting [AuCl2(CN)2]- units as halophilic building blocks in
 coordination polymers
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              127
_journal_page_last               135
_journal_volume                  403
_journal_year                    2013
_chemical_formula_moiety         'C32 H24 Au2 Cl4 Cu1 N8'
_chemical_formula_sum            'C32 H24 Au2 Cl4 Cu N8'
_chemical_formula_weight         1119.89
_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
_cell_angle_alpha                96.691(5)
_cell_angle_beta                 104.985(5)
_cell_angle_gamma                105.427(5)
_cell_formula_units_Z            2
_cell_length_a                   10.2610(8)
_cell_length_b                   10.7330(9)
_cell_length_c                   17.0463(14)
_cell_measurement_reflns_used    8313
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.90
_cell_measurement_theta_min      2.45
_cell_volume                     1713.2(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution
; 
 SIR92 (Altomare et al, 1994)
 CRYSTALS (Watkin, 1988) 
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24506
_diffrn_reflns_theta_full        27.656
_diffrn_reflns_theta_max         28.220
_diffrn_reflns_theta_min         2.009
_exptl_absorpt_coefficient_mu    9.506
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5095
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.171
_exptl_crystal_description       plate
_exptl_crystal_F_000             1054
_exptl_crystal_size_max          0.195
_exptl_crystal_size_mid          0.099
_exptl_crystal_size_min          0.037
_refine_diff_density_max         0.77
_refine_diff_density_min         -0.85
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0722
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         5365
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0373
_refine_ls_shift/su_max          0.0009615
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[σ²(F) + ( 0.01P)² + 0.00P] 
 ,where P=(max(Fo,0) + 2Fc)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0544
_refine_ls_wR_factor_gt          0.0301
_refine_ls_wR_factor_ref         0.0293
_reflns_limit_h_max              12
_reflns_limit_h_min              -13
_reflns_limit_k_max              14
_reflns_limit_k_min              -14
_reflns_limit_l_max              22
_reflns_limit_l_min              0
_reflns_number_gt                5656
_reflns_number_total             8396
_reflns_threshold_expression     I>2.0σ(I)
_cod_data_source_file            ICA-2013-403-127-135-3.cif
_cod_data_source_block           Cu_Me2phen_Au3Cl-3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_formula_sum        'C32 H24 Au2 Cl4 Cu1 N8'
_cod_database_code               1517624
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
Au1 Au 0.5000 0.5000 0.5000 0.0408 1.0000 Uani S
Au2 Au 1.0000 0.5000 1.0000 0.0414 1.0000 Uani S
Au3 Au 0.85766(3) 0.50517(2) 0.749325(16) 0.0367 1.0000 Uani .
Cu1 Cu 0.39849(8) 0.15180(7) 0.73699(5) 0.0349 1.0000 Uani .
Cl1 Cl 0.6036(2) 0.59600(19) 0.63679(11) 0.0593 1.0000 Uani .
Cl2 Cl 1.1706(2) 0.5134(2) 0.93568(14) 0.0747 1.0000 Uani .
Cl3 Cl 0.8231(2) 0.63215(19) 0.85425(12) 0.0603 1.0000 Uani .
Cl4 Cl 0.90089(19) 0.37834(18) 0.64825(13) 0.0627 1.0000 Uani .
N1 N 0.5266(7) 0.2257(7) 0.5303(4) 0.0676 1.0000 Uani .
N2 N 0.8538(7) 0.2072(7) 0.9040(4) 0.0688 1.0000 Uani .
N3 N 1.0887(7) 0.7481(6) 0.7335(4) 0.0695 1.0000 Uani .
N4 N 0.5957(6) 0.2735(5) 0.7496(4) 0.0473 1.0000 Uani .
N5 N 0.3429(5) 0.3151(5) 0.7285(3) 0.0345 1.0000 Uani .
N6 N 0.2650(5) 0.0982(5) 0.6082(3) 0.0336 1.0000 Uani .
N7 N 0.2695(5) 0.0699(5) 0.8075(3) 0.0358 1.0000 Uani .
N8 N 0.4847(5) 0.0107(5) 0.7667(3) 0.0384 1.0000 Uani .
C1 C 0.5203(7) 0.3234(8) 0.5213(4) 0.0453 1.0000 Uani .
C2 C 0.9059(7) 0.3117(7) 0.9384(4) 0.0448 1.0000 Uani .
C3 C 1.0081(7) 0.6596(7) 0.7413(4) 0.0447 1.0000 Uani .
C4 C 0.6951(7) 0.3533(6) 0.7514(4) 0.0419 1.0000 Uani .
C11 C 0.2362(6) 0.2081(6) 0.5857(4) 0.0328 1.0000 Uani .
C12 C 0.2226(7) -0.0110(6) 0.5507(4) 0.0420 1.0000 Uani .
C13 C 0.2463(7) -0.1328(6) 0.5751(5) 0.0532 1.0000 Uani .
C14 C 0.1558(7) -0.0113(8) 0.4679(5) 0.0515 1.0000 Uani .
C15 C 0.1297(7) 0.0977(9) 0.4450(5) 0.0579 1.0000 Uani .
C16 C 0.1660(7) 0.2130(7) 0.5043(4) 0.0430 1.0000 Uani .
C17 C 0.1411(7) 0.3329(8) 0.4872(5) 0.0559 1.0000 Uani .
C18 C 0.1767(7) 0.4387(8) 0.5462(5) 0.0571 1.0000 Uani .
C19 C 0.2446(7) 0.4373(6) 0.6300(5) 0.0447 1.0000 Uani .
C20 C 0.2833(8) 0.5427(7) 0.6971(6) 0.0590 1.0000 Uani .
C21 C 0.3462(8) 0.5328(7) 0.7745(6) 0.0587 1.0000 Uani .
C22 C 0.3787(7) 0.4186(6) 0.7901(5) 0.0464 1.0000 Uani .
C23 C 0.4539(8) 0.4082(7) 0.8758(5) 0.0636 1.0000 Uani .
C24 C 0.2768(6) 0.3230(6) 0.6505(4) 0.0365 1.0000 Uani .
C31 C 0.3319(6) -0.0068(5) 0.8516(4) 0.0367 1.0000 Uani .
C32 C 0.1523(7) 0.0898(6) 0.8200(4) 0.0424 1.0000 Uani .
C33 C 0.0729(7) 0.1635(7) 0.7686(5) 0.0544 1.0000 Uani .
C34 C 0.0998(8) 0.0369(7) 0.8831(4) 0.0532 1.0000 Uani .
C35 C 0.1660(8) -0.0360(7) 0.9284(5) 0.0554 1.0000 Uani .
C36 C 0.2848(7) -0.0627(6) 0.9141(4) 0.0450 1.0000 Uani .
C37 C 0.3540(8) -0.1434(7) 0.9561(5) 0.0554 1.0000 Uani .
C38 C 0.4639(8) -0.1701(6) 0.9385(5) 0.0550 1.0000 Uani .
C39 C 0.5142(7) -0.1185(6) 0.8743(5) 0.0470 1.0000 Uani .
C40 C 0.6220(8) -0.1493(7) 0.8472(5) 0.0576 1.0000 Uani .
C41 C 0.6551(8) -0.1043(7) 0.7822(5) 0.0595 1.0000 Uani .
C42 C 0.5851(7) -0.0243(6) 0.7408(4) 0.0449 1.0000 Uani .
C43 C 0.6193(8) 0.0207(7) 0.6662(5) 0.0598 1.0000 Uani .
C44 C 0.4481(6) -0.0383(6) 0.8320(4) 0.0366 1.0000 Uani .
H131 H 0.3375 -0.1351 0.5720 0.097(16) 1.0000 Uiso R
H132 H 0.2430 -0.1340 0.6307 0.096(16) 1.0000 Uiso R
H133 H 0.1752 -0.2086 0.5378 0.097(16) 1.0000 Uiso R
H141 H 0.1290 -0.0886 0.4283 0.024(15) 1.0000 Uiso R
H151 H 0.0872 0.0973 0.3899 0.034(17) 1.0000 Uiso R
H171 H 0.0975 0.3369 0.4324 0.041(18) 1.0000 Uiso R
H181 H 0.1580 0.5156 0.5330 0.046(19) 1.0000 Uiso R
H201 H 0.2655 0.6209 0.6869 0.036(16) 1.0000 Uiso R
H211 H 0.3690 0.6025 0.8189 0.06(2) 1.0000 Uiso R
H231 H 0.5121 0.3524 0.8729 0.16(3) 1.0000 Uiso R
H232 H 0.3853 0.3713 0.9024 0.16(3) 1.0000 Uiso R
H233 H 0.5114 0.4945 0.9067 0.16(3) 1.0000 Uiso R
H331 H 0.0827 0.1499 0.7140 0.069(13) 1.0000 Uiso R
H332 H 0.1106 0.2559 0.7933 0.069(13) 1.0000 Uiso R
H333 H -0.0257 0.1325 0.7651 0.069(13) 1.0000 Uiso R
H341 H 0.0191 0.0521 0.8919 0.10(3) 1.0000 Uiso R
H351 H 0.1319 -0.0687 0.9704 0.06(2) 1.0000 Uiso R
H371 H 0.3225 -0.1790 0.9977 0.08(3) 1.0000 Uiso R
H381 H 0.5103 -0.2219 0.9679 0.05(2) 1.0000 Uiso R
H401 H 0.6713 -0.2003 0.8755 0.048(19) 1.0000 Uiso R
H411 H 0.7257 -0.1274 0.7639 0.07(2) 1.0000 Uiso R
H431 H 0.5499 0.0591 0.6390 0.101(17) 1.0000 Uiso R
H432 H 0.7112 0.0855 0.6837 0.101(17) 1.0000 Uiso R
H433 H 0.6187 -0.0535 0.6284 0.101(17) 1.0000 Uiso R
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cl 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cu 0.3201 1.2651 13.3380 3.5828 7.1676 0.2470 5.6158 11.3966 1.6735 64.8126
1.1910 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Au -2.0133 8.8022 16.8819 0.4611 18.5913 8.6216 25.5582 1.4826 5.8600 36.3956
12.0658 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl1 2_666 Au1 C1 2_666 92.0(2) yes
Cl1 2_666 Au1 Cl1 . 179.995 yes
C1 2_666 Au1 Cl1 . 88.0(2) yes
Cl1 2_666 Au1 C1 . 88.0(2) yes
C1 2_666 Au1 C1 . 179.994 yes
Cl1 . Au1 C1 . 92.0(2) yes
Cl2 2_767 Au2 C2 2_767 88.61(18) yes
Cl2 2_767 Au2 Cl3 2_767 90.08(7) yes
C2 2_767 Au2 Cl3 2_767 95.4(2) yes
Cl2 2_767 Au2 Cl2 . 179.995 yes
C2 2_767 Au2 Cl2 . 91.39(18) yes
Cl3 2_767 Au2 Cl2 . 89.92(7) yes
Cl2 2_767 Au2 Cl3 . 89.92(7) yes
C2 2_767 Au2 Cl3 . 84.6(2) yes
Cl3 2_767 Au2 Cl3 . 179.997 yes
Cl2 . Au2 Cl3 . 90.08(7) yes
Cl2 2_767 Au2 C2 . 91.39(18) yes
C2 2_767 Au2 C2 . 179.994 yes
Cl3 2_767 Au2 C2 . 84.6(2) yes
Cl2 . Au2 C2 . 88.61(18) yes
Cl3 . Au2 C2 . 95.4(2) yes
Cl1 . Au3 Cl2 . 159.03(4) yes
Cl1 . Au3 Cl3 . 82.34(6) yes
Cl2 . Au3 Cl3 . 78.28(6) yes
Cl1 . Au3 Cl4 . 99.99(6) yes
Cl2 . Au3 Cl4 . 99.34(6) yes
Cl3 . Au3 Cl4 . 177.61(7) yes
Cl1 . Au3 C3 . 93.0(2) yes
Cl2 . Au3 C3 . 79.1(2) yes
Cl3 . Au3 C3 . 89.8(2) yes
Cl4 . Au3 C3 . 89.46(19) yes
Cl1 . Au3 C4 . 82.78(19) yes
Cl2 . Au3 C4 . 105.03(19) yes
Cl3 . Au3 C4 . 90.07(19) yes
Cl4 . Au3 C4 . 90.79(18) yes
C3 . Au3 C4 . 175.7(3) yes
N4 . Cu1 N5 . 83.7(2) yes
N4 . Cu1 N6 . 111.6(2) yes
N5 . Cu1 N6 . 80.7(2) yes
N4 . Cu1 N7 . 141.5(2) yes
N5 . Cu1 N7 . 98.34(19) yes
N6 . Cu1 N7 . 106.60(18) yes
N4 . Cu1 N8 . 88.9(2) yes
N5 . Cu1 N8 . 168.2(2) yes
N6 . Cu1 N8 . 110.69(19) yes
N7 . Cu1 N8 . 81.7(2) yes
N4 . Cu1 C24 . 89.79(19) yes
N5 . Cu1 C24 . 25.81(18) yes
N6 . Cu1 C24 . 55.36(18) yes
N7 . Cu1 C24 . 108.67(18) yes
N8 . Cu1 C24 . 164.0(2) yes
N4 . Cu1 C31 . 124.5(2) yes
N5 . Cu1 C31 . 121.88(19) yes
N6 . Cu1 C31 . 120.08(17) yes
N7 . Cu1 C31 . 26.96(18) yes
N8 . Cu1 C31 . 55.90(19) yes
N4 . Cu1 C44 . 104.5(2) yes
N5 . Cu1 C44 . 147.88(19) yes
N6 . Cu1 C44 . 122.42(17) yes
N7 . Cu1 C44 . 55.97(19) yes
N8 . Cu1 C44 . 27.08(18) yes
C24 . Cu1 C31 . 135.58(17) yes
C24 . Cu1 C44 . 164.34(16) yes
C31 . Cu1 C44 . 29.28(17) yes
Au1 . Cl1 Au3 . 120.15(7) yes
Au1 . Cl1 Cl3 . 156.46(8) yes
Au3 . Cl1 Cl3 . 37.40(3) yes
Au2 . Cl2 Au3 . 80.71(6) yes
Au3 . Cl3 Au2 . 92.71(6) yes
Au3 . Cl3 Cl1 . 60.27(5) yes
Au2 . Cl3 Cl1 . 148.85(6) yes
Cu1 . N4 C4 . 169.7(6) yes
Cu1 . N5 C22 . 125.8(5) yes
Cu1 . N5 C24 . 114.3(4) yes
C22 . N5 C24 . 119.4(6) yes
Cu1 . N6 C11 . 108.1(4) yes
Cu1 . N6 C12 . 132.8(4) yes
C11 . N6 C12 . 118.7(6) yes
Cu1 . N7 C31 . 108.3(4) yes
Cu1 . N7 C32 . 132.3(4) yes
C31 . N7 C32 . 119.1(5) yes
Cu1 . N8 C42 . 128.6(4) yes
Cu1 . N8 C44 . 111.7(4) yes
C42 . N8 C44 . 118.8(6) yes
Au1 . C1 N1 . 177.3(7) yes
Au2 . C2 N2 . 179.8(6) yes
Au3 . C3 N3 . 176.6(7) yes
Au3 . C4 N4 . 174.0(6) yes
N6 . C11 C16 . 123.5(6) yes
N6 . C11 C24 . 117.3(6) yes
C16 . C11 C24 . 119.2(6) yes
N6 . C12 C13 . 119.3(6) yes
N6 . C12 C14 . 120.6(6) yes
C13 . C12 C14 . 120.2(6) yes
C12 . C13 H131 . 109.0 no
C12 . C13 H132 . 109.8 no
H131 . C13 H132 . 109.5 no
C12 . C13 H133 . 109.8 no
H131 . C13 H133 . 108.7 no
H132 . C13 H133 . 110.0 no
C12 . C14 C15 . 121.0(7) yes
C12 . C14 H141 . 119.1 no
C15 . C14 H141 . 120.0 no
C14 . C15 C16 . 120.3(7) yes
C14 . C15 H151 . 120.5 no
C16 . C15 H151 . 119.2 no
C11 . C16 C15 . 115.9(7) yes
C11 . C16 C17 . 119.1(7) yes
C15 . C16 C17 . 125.0(7) yes
C16 . C17 C18 . 122.3(8) yes
C16 . C17 H171 . 118.8 no
C18 . C17 H171 . 118.9 no
C17 . C18 C19 . 120.7(7) yes
C17 . C18 H181 . 120.1 no
C19 . C18 H181 . 119.2 no
C18 . C19 C20 . 125.0(7) yes
C18 . C19 C24 . 119.7(7) yes
C20 . C19 C24 . 115.2(7) yes
C19 . C20 C21 . 121.2(7) yes
C19 . C20 H201 . 118.7 no
C21 . C20 H201 . 120.0 no
C20 . C21 C22 . 120.6(7) yes
C20 . C21 H211 . 120.6 no
C22 . C21 H211 . 118.8 no
C21 . C22 N5 . 120.5(7) yes
C21 . C22 C23 . 121.1(7) yes
N5 . C22 C23 . 118.4(6) yes
C22 . C23 H231 . 109.7 no
C22 . C23 H232 . 109.3 no
H231 . C23 H232 . 109.3 no
C22 . C23 H233 . 109.2 no
H231 . C23 H233 . 110.0 no
H232 . C23 H233 . 109.4 no
C11 . C24 C19 . 119.0(6) yes
C11 . C24 N5 . 118.0(6) yes
C19 . C24 N5 . 123.0(6) yes
C11 . C24 Cu1 . 78.5(4) yes
C19 . C24 Cu1 . 161.9(5) yes
N5 . C24 Cu1 . 39.9(3) yes
N7 . C31 Cu1 . 44.8(3) yes
N7 . C31 C36 . 123.6(6) yes
Cu1 . C31 C36 . 166.5(5) yes
N7 . C31 C44 . 118.8(6) yes
Cu1 . C31 C44 . 74.8(4) yes
C36 . C31 C44 . 117.6(6) yes
N7 . C32 C33 . 121.4(6) yes
N7 . C32 C34 . 120.0(7) yes
C33 . C32 C34 . 118.6(6) yes
C32 . C33 H331 . 109.0 no
C32 . C33 H332 . 109.4 no
H331 . C33 H332 . 109.8 no
C32 . C33 H333 . 109.9 no
H331 . C33 H333 . 109.4 no
H332 . C33 H333 . 109.4 no
C32 . C34 C35 . 120.1(7) yes
C32 . C34 H341 . 119.5 no
C35 . C34 H341 . 120.5 no
C34 . C35 C36 . 121.0(7) yes
C34 . C35 H351 . 119.5 no
C36 . C35 H351 . 119.5 no
C31 . C36 C35 . 116.1(7) yes
C31 . C36 C37 . 120.0(7) yes
C35 . C36 C37 . 123.9(7) yes
C36 . C37 C38 . 122.0(7) yes
C36 . C37 H371 . 119.2 no
C38 . C37 H371 . 118.8 no
C37 . C38 C39 . 120.4(7) yes
C37 . C38 H381 . 121.0 no
C39 . C38 H381 . 118.6 no
C38 . C39 C40 . 124.5(7) yes
C38 . C39 C44 . 118.8(6) yes
C40 . C39 C44 . 116.6(7) yes
C39 . C40 C41 . 120.5(7) yes
C39 . C40 H401 . 119.0 no
C41 . C40 H401 . 120.5 no
C40 . C41 C42 . 121.2(7) yes
C40 . C41 H411 . 119.6 no
C42 . C41 H411 . 119.2 no
C41 . C42 N8 . 120.0(6) yes
C41 . C42 C43 . 120.5(6) yes
N8 . C42 C43 . 119.5(6) yes
C42 . C43 H431 . 109.7 no
C42 . C43 H432 . 109.1 no
H431 . C43 H432 . 109.3 no
C42 . C43 H433 . 109.5 no
H431 . C43 H433 . 109.4 no
H432 . C43 H433 . 109.9 no
C31 . C44 C39 . 121.2(6) yes
C31 . C44 N8 . 115.9(6) yes
C39 . C44 N8 . 122.9(6) yes
C31 . C44 Cu1 . 76.0(4) yes
C39 . C44 Cu1 . 161.6(5) yes
N8 . C44 Cu1 . 41.2(3) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 Cl1 2_666 2.2813(18) yes
Au1 C1 2_666 2.024(8) yes
Au1 Cl1 . 2.2813(18) yes
Au1 C1 . 2.024(8) yes
Au2 Cl2 2_767 2.2770(17) yes
Au2 C2 2_767 2.016(8) yes
Au2 Cl3 2_767 3.3674(19) yes
Au2 Cl2 . 2.2770(17) yes
Au2 Cl3 . 3.3674(19) yes
Au2 C2 . 2.016(8) yes
Au3 Cl1 . 3.2604(19) yes
Au3 Cl2 . 3.863(2) yes
Au3 Cl3 . 2.2804(18) yes
Au3 Cl4 . 2.2777(17) yes
Au3 C3 . 1.988(7) yes
Au3 C4 . 2.010(7) yes
Cu1 N4 . 2.037(5) yes
Cu1 N5 . 1.991(5) yes
Cu1 N6 . 2.181(5) yes
Cu1 N7 . 2.102(5) yes
Cu1 N8 . 1.998(5) yes
Cu1 C24 . 2.830(7) yes
Cu1 C31 . 2.834(6) yes
Cu1 C44 . 2.818(6) yes
Cl1 Cl3 . 3.721(3) yes
N1 C1 . 1.094(8) yes
N2 C2 . 1.119(8) yes
N3 C3 . 1.128(7) yes
N4 C4 . 1.135(7) yes
N5 C22 . 1.335(7) yes
N5 C24 . 1.352(8) yes
N6 C11 . 1.363(7) yes
N6 C12 . 1.328(7) yes
N7 C31 . 1.353(7) yes
N7 C32 . 1.340(7) yes
N8 C42 . 1.341(7) yes
N8 C44 . 1.381(7) yes
C11 C16 . 1.403(8) yes
C11 C24 . 1.444(8) yes
C12 C13 . 1.478(9) yes
C12 C14 . 1.400(9) yes
C13 H131 . 0.958 no
C13 H132 . 0.958 no
C13 H133 . 0.960 no
C14 C15 . 1.345(10) yes
C14 H141 . 0.934 no
C15 C16 . 1.401(10) yes
C15 H151 . 0.927 no
C16 C17 . 1.425(10) yes
C17 C18 . 1.326(10) yes
C17 H171 . 0.937 no
C18 C19 . 1.422(10) yes
C18 H181 . 0.934 no
C19 C20 . 1.404(10) yes
C19 C24 . 1.411(8) yes
C20 C21 . 1.341(10) yes
C20 H201 . 0.931 no
C21 C22 . 1.390(10) yes
C21 H211 . 0.933 no
C22 C23 . 1.497(10) yes
C23 H231 . 0.958 no
C23 H232 . 0.958 no
C23 H233 . 0.958 no
C31 C36 . 1.411(8) yes
C31 C44 . 1.429(8) yes
C32 C33 . 1.481(9) yes
C32 C34 . 1.430(9) yes
C33 H331 . 0.961 no
C33 H332 . 0.961 no
C33 H333 . 0.961 no
C34 C35 . 1.350(10) yes
C34 H341 . 0.930 no
C35 C36 . 1.397(9) yes
C35 H351 . 0.939 no
C36 C37 . 1.405(9) yes
C37 C38 . 1.330(10) yes
C37 H371 . 0.933 no
C38 C39 . 1.433(9) yes
C38 H381 . 0.932 no
C39 C40 . 1.404(9) yes
C39 C44 . 1.386(9) yes
C40 C41 . 1.344(10) yes
C40 H401 . 0.933 no
C41 C42 . 1.401(10) yes
C41 H411 . 0.937 no
C42 C43 . 1.502(9) yes
C43 H431 . 0.960 no
C43 H432 . 0.959 no
C43 H433 . 0.961 no
