#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:55:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179518 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/15/4341529.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_4341529
loop_
_publ_author_name
'Liu, Bo'
'Pan, Shanfei'
'Liu, Bin'
'Chen, Wanzhi'
_publ_section_title
;
 Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked
 dicarbene ligands.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10485
_journal_page_last               10497
_journal_paper_doi               10.1021/ic501544d
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C72 H64 Cu4 I4 N12'
_chemical_formula_weight         1859.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.245(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.1152(17)
_cell_length_b                   16.0855(8)
_cell_length_c                   23.063(2)
_cell_measurement_reflns_used    3499
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.3975
_cell_measurement_theta_min      2.9365
_cell_volume                     7085.2(11)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'multiwire proportional'
_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  0.0385
_diffrn_reflns_av_sigmaI/netI    0.0589
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            13593
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    2.978
_exptl_absorpt_correction_T_max  0.7164
_exptl_absorpt_correction_T_min  0.6636
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3632
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.155
_refine_diff_density_min         -0.917
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         6233
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.1046
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0300P)²+19.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.1162
_reflns_number_gt                3612
_reflns_number_total             6233
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501544d_si_002.cif
_cod_data_source_block           9a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 
;
_cod_original_cell_volume        7085.2(10)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4341529
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.07688(4) 0.91815(5) 0.27293(3) 0.0557(2) Uani 1 1 d U
Cu2 Cu 0.05704(7) 0.55411(6) 0.00922(5) 0.1009(4) Uani 1 1 d .
C1 C 0.1349(3) 1.0701(4) 0.1935(3) 0.0534(16) Uani 1 1 d .
C2 C 0.0940(4) 1.1344(4) 0.1553(3) 0.0614(18) Uani 1 1 d .
C3 C 0.1096(4) 1.2141(4) 0.1784(4) 0.072(2) Uani 1 1 d .
H3 H 0.0832 1.2576 0.1530 0.086 Uiso 1 1 calc R
C4 C 0.1621(4) 1.2321(4) 0.2369(4) 0.072(2) Uani 1 1 d .
C5 C 0.2023(4) 1.1672(5) 0.2737(3) 0.0680(19) Uani 1 1 d .
H5 H 0.2384 1.1791 0.3136 0.082 Uiso 1 1 calc R
C6 C 0.1906(4) 1.0852(4) 0.2534(3) 0.0595(17) Uani 1 1 d .
C7 C 0.0351(4) 1.1180(5) 0.0894(3) 0.083(2) Uani 1 1 d .
H7A H 0.0057 1.1663 0.0753 0.125 Uiso 1 1 calc R
H7B H 0.0078 1.0715 0.0918 0.125 Uiso 1 1 calc R
H7C H 0.0545 1.1059 0.0596 0.125 Uiso 1 1 calc R
C8 C 0.1778(5) 1.3214(4) 0.2616(4) 0.102(3) Uani 1 1 d .
H8A H 0.2203 1.3398 0.2600 0.153 Uiso 1 1 calc R
H8B H 0.1832 1.3235 0.3051 0.153 Uiso 1 1 calc R
H8C H 0.1399 1.3569 0.2353 0.153 Uiso 1 1 calc R
C9 C 0.2378(4) 1.0180(4) 0.2944(3) 0.078(2) Uani 1 1 d .
H9A H 0.2758 1.0425 0.3304 0.117 Uiso 1 1 calc R
H9B H 0.2560 0.9864 0.2696 0.117 Uiso 1 1 calc R
H9C H 0.2117 0.9819 0.3094 0.117 Uiso 1 1 calc R
C10 C 0.1328(4) 0.9524(5) 0.1221(3) 0.076(2) Uani 1 1 d .
H10 H 0.1499 0.9813 0.0968 0.091 Uiso 1 1 calc R
C11 C 0.1169(4) 0.8724(5) 0.1176(4) 0.080(2) Uani 1 1 d .
H11 H 0.1207 0.8344 0.0888 0.096 Uiso 1 1 calc R
C12 C 0.0951(3) 0.9267(4) 0.1987(3) 0.0461(14) Uani 1 1 d .
C13 C 0.0750(3) 0.7773(4) 0.1807(3) 0.0510(15) Uani 1 1 d .
C14 C 0.0960(4) 0.7040(4) 0.1613(3) 0.070(2) Uani 1 1 d .
H14 H 0.1213 0.7059 0.1367 0.084 Uiso 1 1 calc R
C15 C 0.0788(4) 0.6306(4) 0.1790(4) 0.076(2) Uani 1 1 d .
H15 H 0.0932 0.5812 0.1674 0.092 Uiso 1 1 calc R
C16 C 0.0395(3) 0.6287(4) 0.2144(3) 0.0556(17) Uani 1 1 d .
C17 C 0.0189(4) 0.5525(4) 0.2333(3) 0.072(2) Uani 1 1 d .
H17 H 0.0322 0.5022 0.2220 0.087 Uiso 1 1 calc R
C18 C 0.0207(3) 0.7058(3) 0.2318(3) 0.0460(15) Uani 1 1 d .
C19 C 0.1550(3) 0.7662(4) 0.4000(3) 0.0524(16) Uani 1 1 d .
C20 C 0.1198(3) 0.7137(5) 0.4242(3) 0.0634(18) Uani 1 1 d .
C21 C 0.1236(4) 0.6287(6) 0.4151(4) 0.088(3) Uani 1 1 d .
H21 H 0.1001 0.5925 0.4306 0.106 Uiso 1 1 calc R
C22 C 0.1611(5) 0.5961(5) 0.3835(4) 0.083(2) Uani 1 1 d .
C23 C 0.1954(4) 0.6508(5) 0.3614(3) 0.077(2) Uani 1 1 d .
H23 H 0.2205 0.6300 0.3399 0.092 Uiso 1 1 calc R
C24 C 0.1939(3) 0.7358(4) 0.3699(3) 0.0594(17) Uani 1 1 d .
C25 C 0.2359(4) 0.7919(5) 0.3465(4) 0.096(3) Uani 1 1 d .
H25A H 0.2046 0.8244 0.3109 0.144 Uiso 1 1 calc R
H25B H 0.2651 0.7586 0.3332 0.144 Uiso 1 1 calc R
H25C H 0.2647 0.8282 0.3806 0.144 Uiso 1 1 calc R
C26 C 0.0789(4) 0.7477(6) 0.4594(4) 0.101(3) Uani 1 1 d .
H26A H 0.1100 0.7562 0.5037 0.152 Uiso 1 1 calc R
H26B H 0.0431 0.7087 0.4562 0.152 Uiso 1 1 calc R
H26C H 0.0577 0.7996 0.4405 0.152 Uiso 1 1 calc R
C27 C 0.1637(5) 0.5022(5) 0.3763(4) 0.128(4) Uani 1 1 d .
H27A H 0.1600 0.4893 0.3344 0.193 Uiso 1 1 calc R
H27B H 0.1255 0.4769 0.3819 0.193 Uiso 1 1 calc R
H27C H 0.2072 0.4812 0.4081 0.193 Uiso 1 1 calc R
C28 C 0.1894(4) 0.8903(5) 0.4699(3) 0.091(3) Uani 1 1 d .
H28 H 0.2175 0.8631 0.5078 0.110 Uiso 1 1 calc R
C29 C 0.1761(4) 0.9712(6) 0.4626(3) 0.090(3) Uani 1 1 d .
H29 H 0.1926 1.0114 0.4946 0.108 Uiso 1 1 calc R
C30 C 0.1186(3) 0.9121(4) 0.3643(3) 0.0446(14) Uani 1 1 d .
C31 C 0.1065(4) 1.0627(4) 0.3683(3) 0.0546(16) Uani 1 1 d .
C32 C 0.1362(4) 1.1366(5) 0.4018(4) 0.080(2) Uani 1 1 d .
H32 H 0.1731 1.1348 0.4425 0.097 Uiso 1 1 calc R
C33 C 0.1096(5) 1.2095(5) 0.3735(4) 0.084(2) Uani 1 1 d .
H33 H 0.1281 1.2591 0.3948 0.101 Uiso 1 1 calc R
C34 C 0.0536(4) 1.2114(4) 0.3112(4) 0.0667(19) Uani 1 1 d .
C35 C 0.0286(3) 1.1344(3) 0.2817(3) 0.0512(16) Uani 1 1 d .
C36 C 0.0251(4) 1.2880(4) 0.2793(4) 0.089(3) Uani 1 1 d .
H36 H 0.0421 1.3381 0.3002 0.106 Uiso 1 1 calc R
I1 I 0.06683(4) 0.42788(3) 0.08107(3) 0.1105(3) Uani 1 1 d .
I2 I 0.15480(4) 0.65398(5) 0.02456(3) 0.1157(3) Uani 1 1 d .
N1 N 0.1194(3) 0.9853(3) 0.1715(2) 0.0548(13) Uani 1 1 d .
N2 N 0.0934(3) 0.8565(3) 0.1643(2) 0.0546(13) Uani 1 1 d .
N3 N 0.0387(2) 0.7796(3) 0.2151(2) 0.0462(12) Uani 1 1 d U
N4 N 0.1533(3) 0.8542(3) 0.4101(2) 0.0541(13) Uani 1 1 d .
N5 N 0.1327(3) 0.9845(3) 0.3978(2) 0.0573(14) Uani 1 1 d .
N6 N 0.0555(3) 1.0603(3) 0.3110(2) 0.0487(12) 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'
N N 0.0061 0.0033 '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'
I I -0.4742 1.8119 '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
C30 Cu1 C12 144.8(2) . .
C30 Cu1 N3 115.3(2) . .
C12 Cu1 N3 74.5(2) . .
C30 Cu1 N6 74.5(2) . .
C12 Cu1 N6 112.0(2) . .
N3 Cu1 N6 154.16(16) . .
C30 Cu1 Cu1 108.34(17) . 2
C12 Cu1 Cu1 106.80(18) . 2
N3 Cu1 Cu1 76.02(11) . 2
N6 Cu1 Cu1 78.18(11) . 2
I2 Cu2 I1 122.10(5) . 5_565
I2 Cu2 I1 125.24(5) . .
I1 Cu2 I1 112.65(5) 5_565 .
I2 Cu2 Cu2 177.96(7) . 5_565
I1 Cu2 Cu2 56.33(4) 5_565 5_565
I1 Cu2 Cu2 56.31(4) . 5_565
C2 C1 C6 121.9(6) . .
C2 C1 N1 119.5(6) . .
C6 C1 N1 118.6(6) . .
C3 C2 C1 117.8(7) . .
C3 C2 C7 120.5(7) . .
C1 C2 C7 121.7(6) . .
C4 C3 C2 122.8(7) . .
C3 C4 C5 118.3(7) . .
C3 C4 C8 121.7(8) . .
C5 C4 C8 120.1(8) . .
C4 C5 C6 122.4(7) . .
C5 C6 C1 116.8(7) . .
C5 C6 C9 119.9(7) . .
C1 C6 C9 123.3(6) . .
C11 C10 N1 107.5(6) . .
C10 C11 N2 106.4(6) . .
N1 C12 N2 103.0(5) . .
N1 C12 Cu1 136.8(4) . .
N2 C12 Cu1 119.6(4) . .
N3 C13 C14 124.2(6) . .
N3 C13 N2 115.5(5) . .
C14 C13 N2 120.3(6) . .
C15 C14 C13 118.5(7) . .
C14 C15 C16 120.2(6) . .
C15 C16 C18 117.3(6) . .
C15 C16 C17 122.3(6) . .
C18 C16 C17 120.4(6) . .
C17 C17 C16 121.0(4) 2 .
N3 C18 C16 122.9(5) . .
N3 C18 C18 118.5(3) . 2
C16 C18 C18 118.6(4) . 2
C24 C19 C20 121.7(6) . .
C24 C19 N4 119.7(6) . .
C20 C19 N4 118.5(6) . .
C19 C20 C21 117.4(7) . .
C19 C20 C26 121.4(7) . .
C21 C20 C26 121.2(8) . .
C22 C21 C20 122.3(8) . .
C23 C22 C21 117.6(8) . .
C23 C22 C27 123.2(10) . .
C21 C22 C27 119.2(9) . .
C22 C23 C24 122.4(8) . .
C19 C24 C23 118.5(7) . .
C19 C24 C25 122.3(6) . .
C23 C24 C25 119.2(7) . .
C29 C28 N4 106.8(6) . .
C28 C29 N5 107.1(6) . .
N5 C30 N4 103.2(5) . .
N5 C30 Cu1 118.1(4) . .
N4 C30 Cu1 137.1(4) . .
N6 C31 C32 124.3(7) . .
N6 C31 N5 116.3(5) . .
C32 C31 N5 119.4(6) . .
C33 C32 C31 118.3(7) . .
C32 C33 C34 120.3(7) . .
C35 C34 C33 116.8(7) . .
C35 C34 C36 121.5(7) . .
C33 C34 C36 121.7(6) . .
N6 C35 C34 122.6(6) . .
N6 C35 C35 119.4(3) . 2
C34 C35 C35 118.0(4) . 2
C36 C36 C34 120.4(4) 2 .
Cu2 I1 Cu2 67.35(5) 5_565 .
C12 N1 C10 111.5(5) . .
C12 N1 C1 124.7(5) . .
C10 N1 C1 123.6(5) . .
C12 N2 C11 111.6(5) . .
C12 N2 C13 121.4(5) . .
C11 N2 C13 126.7(5) . .
C13 N3 C18 117.0(5) . .
C13 N3 Cu1 101.8(3) . .
C18 N3 Cu1 133.2(4) . .
C30 N4 C28 111.7(5) . .
C30 N4 C19 126.0(5) . .
C28 N4 C19 122.3(6) . .
C30 N5 C29 111.2(6) . .
C30 N5 C31 122.6(5) . .
C29 N5 C31 126.2(6) . .
C31 N6 C35 117.7(5) . .
C31 N6 Cu1 100.7(4) . .
C35 N6 Cu1 135.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 C30 1.908(6) .
Cu1 C12 1.912(6) .
Cu1 N3 2.546(4) .
Cu1 N6 2.557(5) .
Cu1 Cu1 2.9545(16) 2
Cu2 I2 2.5189(15) .
Cu2 I1 2.5721(14) 5_565
Cu2 I1 2.5727(12) .
Cu2 Cu2 2.853(3) 5_565
C1 C2 1.394(9) .
C1 C6 1.402(9) .
C1 N1 1.444(7) .
C2 C3 1.373(9) .
C2 C7 1.521(9) .
C3 C4 1.363(10) .
C4 C5 1.384(10) .
C4 C8 1.528(9) .
C5 C6 1.387(9) .
C6 C9 1.501(9) .
C10 C11 1.323(9) .
C10 N1 1.391(8) .
C11 N2 1.388(8) .
C12 N1 1.350(7) .
C12 N2 1.372(7) .
C13 N3 1.316(7) .
C13 C14 1.400(8) .
C13 N2 1.430(7) .
C14 C15 1.349(9) .
C15 C16 1.390(9) .
C16 C18 1.412(8) .
C16 C17 1.430(8) .
C17 C17 1.325(14) 2
C18 N3 1.352(7) .
C18 C18 1.449(11) 2
C19 C24 1.372(9) .
C19 C20 1.390(9) .
C19 N4 1.438(8) .
C20 C21 1.390(10) .
C20 C26 1.517(10) .
C21 C22 1.387(11) .
C22 C23 1.369(11) .
C22 C27 1.523(10) .
C23 C24 1.383(9) .
C24 C25 1.517(9) .
C28 C29 1.326(10) .
C28 N4 1.386(8) .
C29 N5 1.396(8) .
C30 N5 1.360(7) .
C30 N4 1.364(7) .
C31 N6 1.302(8) .
C31 C32 1.410(9) .
C31 N5 1.424(8) .
C32 C33 1.344(10) .
C33 C34 1.420(10) .
C34 C35 1.403(8) .
C34 C36 1.429(9) .
C35 N6 1.369(7) .
C35 C35 1.446(12) 2
C36 C36 1.315(15) 2
I1 Cu2 2.5721(14) 5_565
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_4
C6 C1 C2 C3 -0.5(9) . .
N1 C1 C2 C3 178.8(5) . .
C6 C1 C2 C7 178.1(6) . .
N1 C1 C2 C7 -2.5(9) . .
C1 C2 C3 C4 -1.0(10) . .
C7 C2 C3 C4 -179.7(6) . .
C2 C3 C4 C5 1.5(11) . .
C2 C3 C4 C8 -179.5(7) . .
C3 C4 C5 C6 -0.5(10) . .
C8 C4 C5 C6 -179.5(6) . .
C4 C5 C6 C1 -0.9(10) . .
C4 C5 C6 C9 177.6(6) . .
C2 C1 C6 C5 1.5(9) . .
N1 C1 C6 C5 -177.9(5) . .
C2 C1 C6 C9 -177.0(6) . .
N1 C1 C6 C9 3.6(9) . .
N1 C10 C11 N2 0.2(8) . .
C30 Cu1 C12 N1 -70.1(8) . .
N3 Cu1 C12 N1 177.7(7) . .
N6 Cu1 C12 N1 24.1(7) . .
Cu1 Cu1 C12 N1 107.9(6) 2 .
C30 Cu1 C12 N2 99.1(6) . .
N3 Cu1 C12 N2 -13.1(4) . .
N6 Cu1 C12 N2 -166.6(4) . .
Cu1 Cu1 C12 N2 -82.9(5) 2 .
N3 C13 C14 C15 -0.5(10) . .
N2 C13 C14 C15 178.6(6) . .
C13 C14 C15 C16 1.6(11) . .
C14 C15 C16 C18 -1.6(10) . .
C14 C15 C16 C17 178.9(7) . .
C15 C16 C17 C17 -179.6(9) . 2
C18 C16 C17 C17 0.9(12) . 2
C15 C16 C18 N3 0.6(9) . .
C17 C16 C18 N3 -179.8(6) . .
C15 C16 C18 C18 179.4(7) . 2
C17 C16 C18 C18 -1.0(10) . 2
C24 C19 C20 C21 -2.0(9) . .
N4 C19 C20 C21 -178.5(5) . .
C24 C19 C20 C26 177.9(6) . .
N4 C19 C20 C26 1.4(9) . .
C19 C20 C21 C22 0.5(10) . .
C26 C20 C21 C22 -179.5(7) . .
C20 C21 C22 C23 0.3(11) . .
C20 C21 C22 C27 179.1(6) . .
C21 C22 C23 C24 0.4(11) . .
C27 C22 C23 C24 -178.3(6) . .
C20 C19 C24 C23 2.7(9) . .
N4 C19 C24 C23 179.2(5) . .
C20 C19 C24 C25 -176.5(6) . .
N4 C19 C24 C25 0.0(9) . .
C22 C23 C24 C19 -1.9(10) . .
C22 C23 C24 C25 177.3(7) . .
N4 C28 C29 N5 -1.1(10) . .
C12 Cu1 C30 N5 88.2(6) . .
N3 Cu1 C30 N5 -172.6(4) . .
N6 Cu1 C30 N5 -18.1(4) . .
Cu1 Cu1 C30 N5 -89.7(4) 2 .
C12 Cu1 C30 N4 -74.7(8) . .
N3 Cu1 C30 N4 24.5(7) . .
N6 Cu1 C30 N4 178.9(7) . .
Cu1 Cu1 C30 N4 107.3(6) 2 .
N6 C31 C32 C33 1.1(11) . .
N5 C31 C32 C33 -178.7(6) . .
C31 C32 C33 C34 -0.4(11) . .
C32 C33 C34 C35 -0.4(11) . .
C32 C33 C34 C36 -178.9(7) . .
C33 C34 C35 N6 0.8(9) . .
C36 C34 C35 N6 179.3(6) . .
C33 C34 C35 C35 180.0(7) . 2
C36 C34 C35 C35 -1.5(11) . 2
C35 C34 C36 C36 -1.1(15) . 2
C33 C34 C36 C36 177.3(10) . 2
I2 Cu2 I1 Cu2 178.39(8) . 5_565
I1 Cu2 I1 Cu2 0.0 5_565 5_565
N2 C12 N1 C10 -0.4(7) . .
Cu1 C12 N1 C10 170.0(6) . .
N2 C12 N1 C1 -176.0(5) . .
Cu1 C12 N1 C1 -5.6(10) . .
C11 C10 N1 C12 0.1(8) . .
C11 C10 N1 C1 175.8(6) . .
C2 C1 N1 C12 -112.6(7) . .
C6 C1 N1 C12 66.7(8) . .
C2 C1 N1 C10 72.3(8) . .
C6 C1 N1 C10 -108.4(7) . .
N1 C12 N2 C11 0.5(7) . .
Cu1 C12 N2 C11 -171.9(5) . .
N1 C12 N2 C13 175.5(5) . .
Cu1 C12 N2 C13 3.1(8) . .
C10 C11 N2 C12 -0.5(8) . .
C10 C11 N2 C13 -175.2(6) . .
N3 C13 N2 C12 21.4(8) . .
C14 C13 N2 C12 -157.8(6) . .
N3 C13 N2 C11 -164.4(6) . .
C14 C13 N2 C11 16.4(10) . .
C14 C13 N3 C18 -0.4(8) . .
N2 C13 N3 C18 -179.6(5) . .
C14 C13 N3 Cu1 152.5(5) . .
N2 C13 N3 Cu1 -26.7(5) . .
C16 C18 N3 C13 0.4(8) . .
C18 C18 N3 C13 -178.4(6) 2 .
C16 C18 N3 Cu1 -141.9(5) . .
C18 C18 N3 Cu1 39.3(9) 2 .
C30 Cu1 N3 C13 -121.5(4) . .
C12 Cu1 N3 C13 22.3(4) . .
N6 Cu1 N3 C13 131.1(4) . .
Cu1 Cu1 N3 C13 134.5(4) 2 .
C30 Cu1 N3 C18 24.7(6) . .
C12 Cu1 N3 C18 168.5(5) . .
N6 Cu1 N3 C18 -82.7(6) . .
Cu1 Cu1 N3 C18 -79.3(5) 2 .
N5 C30 N4 C28 -1.7(7) . .
Cu1 C30 N4 C28 162.9(6) . .
N5 C30 N4 C19 179.4(5) . .
Cu1 C30 N4 C19 -16.0(10) . .
C29 C28 N4 C30 1.8(9) . .
C29 C28 N4 C19 -179.3(7) . .
C24 C19 N4 C30 73.5(8) . .
C20 C19 N4 C30 -109.9(7) . .
C24 C19 N4 C28 -105.3(7) . .
C20 C19 N4 C28 71.2(8) . .
N4 C30 N5 C29 1.0(7) . .
Cu1 C30 N5 C29 -167.2(5) . .
N4 C30 N5 C31 179.8(5) . .
Cu1 C30 N5 C31 11.6(7) . .
C28 C29 N5 C30 0.0(9) . .
C28 C29 N5 C31 -178.7(7) . .
N6 C31 N5 C30 15.5(8) . .
C32 C31 N5 C30 -164.7(6) . .
N6 C31 N5 C29 -165.9(7) . .
C32 C31 N5 C29 13.9(10) . .
C32 C31 N6 C35 -0.7(9) . .
N5 C31 N6 C35 179.1(5) . .
C32 C31 N6 Cu1 154.9(6) . .
N5 C31 N6 Cu1 -25.3(6) . .
C34 C35 N6 C31 -0.3(9) . .
C35 C35 N6 C31 -179.4(6) 2 .
C34 C35 N6 Cu1 -145.3(5) . .
C35 C35 N6 Cu1 35.5(10) 2 .
C30 Cu1 N6 C31 24.3(4) . .
C12 Cu1 N6 C31 -119.1(4) . .
N3 Cu1 N6 C31 140.8(4) . .
Cu1 Cu1 N6 C31 137.4(4) 2 .
C30 Cu1 N6 C35 173.2(6) . .
C12 Cu1 N6 C35 29.8(6) . .
N3 Cu1 N6 C35 -70.3(7) . .
Cu1 Cu1 N6 C35 -73.7(5) 2 .
