#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:06:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179231 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/51/4315156.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_4315156
loop_
_publ_author_name
'Gerald F. Manbeck'
'William W. Brennessel'
'Christopher M. Evans'
'Richard Eisenberg'
_publ_section_title
;
 Tetranuclear Copper(I) Iodide Complexes of Chelating
 Bis(1-benzyl-1H-1,2,3-triazole) Ligands: Structural Characterization and
 Solid State Photoluminescence
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2834
_journal_page_last               2843
_journal_paper_doi               10.1021/ic902236n
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C48 H36 Cu4 F4 I4 N12'
_chemical_formula_sum            'C48 H36 Cu4 F4 I4 N12'
_chemical_formula_weight         1618.65
_chemical_name_common            eisjfm30
_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
_cell_angle_alpha                114.113(1)
_cell_angle_beta                 91.823(1)
_cell_angle_gamma                101.446(1)
_cell_formula_units_Z            1
_cell_length_a                   9.1964(6)
_cell_length_b                   11.7435(8)
_cell_length_c                   12.9597(8)
_cell_measurement_reflns_used    7710
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      37.92
_cell_measurement_theta_min      2.28
_cell_volume                     1242.08(14)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100.0(1)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD Platform'
_diffrn_measurement_method       'area detector, ω scans per φ'
_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  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0659
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28875
_diffrn_reflns_theta_full        36.32
_diffrn_reflns_theta_max         36.32
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    4.239
_exptl_absorpt_correction_T_max  0.6565
_exptl_absorpt_correction_T_min  0.5783
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.164
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.409
_refine_diff_density_min         -0.786
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         11823
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.956
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0382
_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)+(0.0302P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0799
_reflns_number_gt                8428
_reflns_number_total             11823
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic902236n_si_003_3.cif
_cod_data_source_block           3
_cod_database_code               4315156
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
Cu1 Cu 0.98638(4) 0.96815(3) 0.69065(3) 0.01432(7) Uani 1 1 d . . .
Cu2 Cu 0.86238(4) 0.93683(3) 0.43767(3) 0.01479(7) Uani 1 1 d . . .
I1 I 1.04086(2) 0.806851(17) 0.481665(15) 0.01490(4) Uani 1 1 d . . .
I2 I 0.78153(2) 0.844617(17) 0.220498(14) 0.01468(4) Uani 1 1 d . . .
F1 F 0.6807(2) 1.17565(17) 1.19340(14) 0.0205(4) Uani 1 1 d . . .
F2 F 0.50073(19) 1.23626(16) 1.06637(14) 0.0193(3) Uani 1 1 d . . .
N1 N 0.9300(3) 0.8596(2) 0.77846(19) 0.0130(4) Uani 1 1 d . . .
N2 N 0.9819(3) 0.7565(2) 0.7562(2) 0.0145(4) Uani 1 1 d . . .
N3 N 0.9252(3) 0.7059(2) 0.8259(2) 0.0150(4) Uani 1 1 d . . .
N4 N 0.7639(3) 0.9641(2) 0.65545(19) 0.0126(4) Uani 1 1 d . . .
N5 N 0.7095(3) 0.9165(2) 0.54722(19) 0.0127(4) Uani 1 1 d . . .
N6 N 0.5596(3) 0.8827(2) 0.54069(19) 0.0124(4) Uani 1 1 d . . .
C1 C 0.8356(3) 0.7746(3) 0.8923(2) 0.0152(5) Uani 1 1 d . . .
H1 H 0.7821 0.7579 0.9480 0.018 Uiso 1 1 calc R . .
C2 C 0.8386(3) 0.8750(3) 0.8619(2) 0.0126(5) Uani 1 1 d . . .
C3 C 0.7585(3) 0.9780(3) 0.9098(2) 0.0126(5) Uani 1 1 d . . .
C4 C 0.7633(3) 1.0357(3) 1.0287(2) 0.0151(5) Uani 1 1 d . . .
H4 H 0.8259 1.0143 1.0744 0.018 Uiso 1 1 calc R . .
C5 C 0.6787(3) 1.1224(3) 1.0797(2) 0.0142(5) Uani 1 1 d . . .
C6 C 0.5865(3) 1.1537(3) 1.0147(2) 0.0150(5) Uani 1 1 d . . .
C7 C 0.5816(3) 1.1007(3) 0.8988(2) 0.0142(5) Uani 1 1 d . . .
H7 H 0.5185 1.1236 0.8547 0.017 Uiso 1 1 calc R . .
C8 C 0.6675(3) 1.0137(2) 0.8443(2) 0.0116(4) Uani 1 1 d . . .
C9 C 0.6490(3) 0.9606(2) 0.7192(2) 0.0125(5) Uani 1 1 d . . .
C10 C 0.5177(3) 0.9088(3) 0.6453(2) 0.0125(5) Uani 1 1 d . . .
H10 H 0.4187 0.8945 0.6641 0.015 Uiso 1 1 calc R . .
C11 C 0.9559(3) 0.5844(3) 0.8159(3) 0.0183(5) Uani 1 1 d . . .
H11A H 0.9896 0.5415 0.7407 0.022 Uiso 1 1 calc R . .
H11B H 0.8615 0.5282 0.8182 0.022 Uiso 1 1 calc R . .
C12 C 1.0723(3) 0.5972(3) 0.9075(2) 0.0155(5) Uani 1 1 d . . .
C13 C 1.0661(3) 0.6680(3) 1.0226(3) 0.0177(5) Uani 1 1 d . . .
H13 H 0.9909 0.7151 1.0452 0.021 Uiso 1 1 calc R . .
C14 C 1.1678(4) 0.6705(3) 1.1039(3) 0.0219(6) Uani 1 1 d . . .
H14 H 1.1619 0.7187 1.1823 0.026 Uiso 1 1 calc R . .
C15 C 1.2790(4) 0.6029(3) 1.0719(3) 0.0237(6) Uani 1 1 d . . .
H15 H 1.3503 0.6061 1.1283 0.028 Uiso 1 1 calc R . .
C16 C 1.2854(3) 0.5308(3) 0.9577(3) 0.0237(6) Uani 1 1 d . . .
H16 H 1.3604 0.4834 0.9356 0.028 Uiso 1 1 calc R . .
C17 C 1.1826(3) 0.5276(3) 0.8755(3) 0.0213(6) Uani 1 1 d . . .
H17 H 1.1872 0.4779 0.7971 0.026 Uiso 1 1 calc R . .
C18 C 0.4666(3) 0.8050(3) 0.4297(2) 0.0137(5) Uani 1 1 d . . .
H18A H 0.5164 0.8228 0.3695 0.016 Uiso 1 1 calc R . .
H18B H 0.3687 0.8285 0.4322 0.016 Uiso 1 1 calc R . .
C19 C 0.4426(3) 0.6641(3) 0.4017(2) 0.0155(5) Uani 1 1 d . . .
C20 C 0.3293(3) 0.6045(3) 0.4437(3) 0.0208(6) Uani 1 1 d . . .
H20 H 0.2645 0.6524 0.4890 0.025 Uiso 1 1 calc R . .
C21 C 0.3096(4) 0.4759(3) 0.4202(3) 0.0257(7) Uani 1 1 d . . .
H21 H 0.2317 0.4360 0.4493 0.031 Uiso 1 1 calc R . .
C22 C 0.4037(4) 0.4059(3) 0.3545(3) 0.0290(8) Uani 1 1 d . . .
H22 H 0.3904 0.3177 0.3383 0.035 Uiso 1 1 calc R . .
C23 C 0.5175(4) 0.4639(3) 0.3122(3) 0.0287(7) Uani 1 1 d . . .
H23 H 0.5819 0.4155 0.2668 0.034 Uiso 1 1 calc R . .
C24 C 0.5372(4) 0.5929(3) 0.3362(3) 0.0229(6) Uani 1 1 d . . .
H24 H 0.6158 0.6327 0.3076 0.027 Uiso 1 1 calc R . .
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'
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'
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
_geom_angle_publ_flag
N1 Cu1 N4 90.94(9) . . ?
N1 Cu1 I2 116.19(7) . 2_776 ?
N4 Cu1 I2 131.72(6) . 2_776 ?
N1 Cu1 Cu2 159.10(7) . 2_776 ?
N4 Cu1 Cu2 106.84(6) . 2_776 ?
I2 Cu1 Cu2 59.468(12) 2_776 2_776 ?
N1 Cu1 I1 106.60(7) . . ?
N4 Cu1 I1 100.61(6) . . ?
I2 Cu1 I1 107.743(13) 2_776 . ?
Cu2 Cu1 I1 60.135(12) 2_776 . ?
N5 Cu2 I2 120.95(6) . . ?
N5 Cu2 Cu1 159.63(7) . 2_776 ?
I2 Cu2 Cu1 58.927(12) . 2_776 ?
N5 Cu2 I1 96.16(6) . . ?
I2 Cu2 I1 110.401(14) . . ?
Cu1 Cu2 I1 102.771(15) 2_776 . ?
N5 Cu2 I1 102.81(6) . 2_776 ?
I2 Cu2 I1 108.397(13) . 2_776 ?
Cu1 Cu2 I1 61.486(12) 2_776 2_776 ?
I1 Cu2 I1 118.228(14) . 2_776 ?
N5 Cu2 Cu2 108.75(7) . 2_776 ?
I2 Cu2 Cu2 130.28(2) . 2_776 ?
Cu1 Cu2 Cu2 75.182(17) 2_776 2_776 ?
I1 Cu2 Cu2 59.977(14) . 2_776 ?
I1 Cu2 Cu2 58.251(13) 2_776 2_776 ?
Cu2 I1 Cu2 61.771(14) . 2_776 ?
Cu2 I1 Cu1 75.370(12) . . ?
Cu2 I1 Cu1 58.380(11) 2_776 . ?
Cu1 I2 Cu2 61.606(11) 2_776 . ?
N2 N1 C2 110.2(2) . . ?
N2 N1 Cu1 120.35(17) . . ?
C2 N1 Cu1 129.46(19) . . ?
N1 N2 N3 106.5(2) . . ?
N2 N3 C1 111.6(2) . . ?
N2 N3 C11 119.2(2) . . ?
C1 N3 C11 129.0(2) . . ?
N5 N4 C9 109.4(2) . . ?
N5 N4 Cu1 116.79(17) . . ?
C9 N4 Cu1 129.71(18) . . ?
N4 N5 N6 107.3(2) . . ?
N4 N5 Cu2 115.69(17) . . ?
N6 N5 Cu2 136.12(17) . . ?
N5 N6 C10 110.5(2) . . ?
N5 N6 C18 120.8(2) . . ?
C10 N6 C18 127.6(2) . . ?
N3 C1 C2 105.0(2) . . ?
N3 C1 H1 127.5 . . ?
C2 C1 H1 127.5 . . ?
N1 C2 C1 106.7(2) . . ?
N1 C2 C3 126.7(2) . . ?
C1 C2 C3 126.6(2) . . ?
C4 C3 C8 118.4(2) . . ?
C4 C3 C2 116.9(2) . . ?
C8 C3 C2 124.4(2) . . ?
C5 C4 C3 120.7(3) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
F1 C5 C4 120.8(3) . . ?
F1 C5 C6 118.7(2) . . ?
C4 C5 C6 120.4(2) . . ?
F2 C6 C7 120.5(3) . . ?
F2 C6 C5 119.5(2) . . ?
C7 C6 C5 120.1(3) . . ?
C6 C7 C8 121.0(3) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C7 C8 C3 119.3(2) . . ?
C7 C8 C9 115.9(2) . . ?
C3 C8 C9 124.8(2) . . ?
N4 C9 C10 107.3(2) . . ?
N4 C9 C8 124.3(2) . . ?
C10 C9 C8 128.2(2) . . ?
N6 C10 C9 105.4(2) . . ?
N6 C10 H10 127.3 . . ?
C9 C10 H10 127.3 . . ?
N3 C11 C12 114.6(2) . . ?
N3 C11 H11A 108.6 . . ?
C12 C11 H11A 108.6 . . ?
N3 C11 H11B 108.6 . . ?
C12 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
C13 C12 C17 119.1(3) . . ?
C13 C12 C11 122.1(3) . . ?
C17 C12 C11 118.7(3) . . ?
C14 C13 C12 120.6(3) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C13 C14 C15 120.3(3) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C16 C15 C14 119.7(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 120.1(3) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C12 120.2(3) . . ?
C16 C17 H17 119.9 . . ?
C12 C17 H17 119.9 . . ?
N6 C18 C19 110.3(2) . . ?
N6 C18 H18A 109.6 . . ?
C19 C18 H18A 109.6 . . ?
N6 C18 H18B 109.6 . . ?
C19 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
C20 C19 C24 118.9(3) . . ?
C20 C19 C18 120.8(3) . . ?
C24 C19 C18 120.2(3) . . ?
C21 C20 C19 120.8(3) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C22 C21 C20 119.7(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 120.2(3) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C22 C23 C24 119.9(3) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C19 120.4(3) . . ?
C23 C24 H24 119.8 . . ?
C19 C24 H24 119.8 . . ?
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
Cu1 N1 2.037(2) . ?
Cu1 N4 2.070(2) . ?
Cu1 I2 2.5746(4) 2_776 ?
Cu1 Cu2 2.6443(5) 2_776 ?
Cu1 I1 2.7286(4) . ?
Cu2 N5 2.079(2) . ?
Cu2 I2 2.5891(4) . ?
Cu2 Cu1 2.6443(5) 2_776 ?
Cu2 I1 2.6449(4) . ?
Cu2 I1 2.6929(4) 2_776 ?
Cu2 Cu2 2.7403(7) 2_776 ?
I1 Cu2 2.6929(4) 2_776 ?
I2 Cu1 2.5746(4) 2_776 ?
F1 C5 1.344(3) . ?
F2 C6 1.348(3) . ?
N1 N2 1.315(3) . ?
N1 C2 1.366(3) . ?
N2 N3 1.336(3) . ?
N3 C1 1.346(4) . ?
N3 C11 1.465(4) . ?
N4 N5 1.317(3) . ?
N4 C9 1.366(3) . ?
N5 N6 1.346(3) . ?
N6 C10 1.350(3) . ?
N6 C18 1.474(3) . ?
C1 C2 1.383(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.470(4) . ?
C3 C4 1.403(4) . ?
C3 C8 1.407(4) . ?
C4 C5 1.370(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.376(4) . ?
C6 C7 1.367(4) . ?
C7 C8 1.390(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.470(4) . ?
C9 C10 1.379(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.512(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.389(4) . ?
C12 C17 1.396(4) . ?
C13 C14 1.373(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.389(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.383(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.385(4) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.509(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.389(4) . ?
C19 C24 1.390(4) . ?
C20 C21 1.385(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.385(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
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
N5 Cu2 I1 Cu2 -108.12(7) . . . 2_776 ?
I2 Cu2 I1 Cu2 125.58(2) . . . 2_776 ?
Cu1 Cu2 I1 Cu2 64.286(15) 2_776 . . 2_776 ?
I1 Cu2 I1 Cu2 0.0 2_776 . . 2_776 ?
N5 Cu2 I1 Cu1 -46.47(6) . . . . ?
I2 Cu2 I1 Cu1 -172.772(16) . . . . ?
Cu1 Cu2 I1 Cu1 125.936(14) 2_776 . . . ?
I1 Cu2 I1 Cu1 61.650(14) 2_776 . . . ?
Cu2 Cu2 I1 Cu1 61.650(14) 2_776 . . . ?
N1 Cu1 I1 Cu2 132.06(7) . . . . ?
N4 Cu1 I1 Cu2 37.86(6) . . . . ?
I2 Cu1 I1 Cu2 -102.567(15) 2_776 . . . ?
Cu2 Cu1 I1 Cu2 -65.584(16) 2_776 . . . ?
N1 Cu1 I1 Cu2 -162.36(7) . . . 2_776 ?
N4 Cu1 I1 Cu2 103.44(6) . . . 2_776 ?
I2 Cu1 I1 Cu2 -36.983(13) 2_776 . . 2_776 ?
N5 Cu2 I2 Cu1 156.18(8) . . . 2_776 ?
I1 Cu2 I2 Cu1 -92.937(17) . . . 2_776 ?
I1 Cu2 I2 Cu1 38.021(13) 2_776 . . 2_776 ?
Cu2 Cu2 I2 Cu1 -25.55(3) 2_776 . . 2_776 ?
N4 Cu1 N1 N2 129.6(2) . . . . ?
I2 Cu1 N1 N2 -91.8(2) 2_776 . . . ?
Cu2 Cu1 N1 N2 -19.2(3) 2_776 . . . ?
I1 Cu1 N1 N2 28.2(2) . . . . ?
N4 Cu1 N1 C2 -49.2(2) . . . . ?
I2 Cu1 N1 C2 89.4(2) 2_776 . . . ?
Cu2 Cu1 N1 C2 161.97(16) 2_776 . . . ?
I1 Cu1 N1 C2 -150.6(2) . . . . ?
C2 N1 N2 N3 -0.5(3) . . . . ?
Cu1 N1 N2 N3 -179.54(17) . . . . ?
N1 N2 N3 C1 0.7(3) . . . . ?
N1 N2 N3 C11 176.2(2) . . . . ?
N1 Cu1 N4 N5 -121.83(19) . . . . ?
I2 Cu1 N4 N5 110.87(17) 2_776 . . . ?
Cu2 Cu1 N4 N5 47.05(19) 2_776 . . . ?
I1 Cu1 N4 N5 -14.74(19) . . . . ?
N1 Cu1 N4 C9 32.7(2) . . . . ?
I2 Cu1 N4 C9 -94.6(2) 2_776 . . . ?
Cu2 Cu1 N4 C9 -158.4(2) 2_776 . . . ?
I1 Cu1 N4 C9 139.8(2) . . . . ?
C9 N4 N5 N6 0.4(3) . . . . ?
Cu1 N4 N5 N6 159.84(16) . . . . ?
C9 N4 N5 Cu2 171.51(17) . . . . ?
Cu1 N4 N5 Cu2 -29.0(2) . . . . ?
I2 Cu2 N5 N4 178.27(15) . . . . ?
Cu1 Cu2 N5 N4 -98.3(2) 2_776 . . . ?
I1 Cu2 N5 N4 60.01(18) . . . . ?
I1 Cu2 N5 N4 -60.81(18) 2_776 . . . ?
Cu2 Cu2 N5 N4 -0.33(19) 2_776 . . . ?
I2 Cu2 N5 N6 -14.0(3) . . . . ?
Cu1 Cu2 N5 N6 69.5(3) 2_776 . . . ?
I1 Cu2 N5 N6 -132.2(2) . . . . ?
I1 Cu2 N5 N6 106.9(2) 2_776 . . . ?
Cu2 Cu2 N5 N6 167.4(2) 2_776 . . . ?
N4 N5 N6 C10 0.0(3) . . . . ?
Cu2 N5 N6 C10 -168.5(2) . . . . ?
N4 N5 N6 C18 -168.9(2) . . . . ?
Cu2 N5 N6 C18 22.7(4) . . . . ?
N2 N3 C1 C2 -0.5(3) . . . . ?
C11 N3 C1 C2 -175.5(3) . . . . ?
N2 N1 C2 C1 0.2(3) . . . . ?
Cu1 N1 C2 C1 179.12(19) . . . . ?
N2 N1 C2 C3 -179.6(3) . . . . ?
Cu1 N1 C2 C3 -0.7(4) . . . . ?
N3 C1 C2 N1 0.2(3) . . . . ?
N3 C1 C2 C3 180.0(3) . . . . ?
N1 C2 C3 C4 -135.2(3) . . . . ?
C1 C2 C3 C4 45.1(4) . . . . ?
N1 C2 C3 C8 50.9(4) . . . . ?
C1 C2 C3 C8 -128.9(3) . . . . ?
C8 C3 C4 C5 1.5(4) . . . . ?
C2 C3 C4 C5 -172.8(2) . . . . ?
C3 C4 C5 F1 178.5(2) . . . . ?
C3 C4 C5 C6 0.6(4) . . . . ?
F1 C5 C6 F2 -0.1(4) . . . . ?
C4 C5 C6 F2 178.0(2) . . . . ?
F1 C5 C6 C7 -179.7(2) . . . . ?
C4 C5 C6 C7 -1.7(4) . . . . ?
F2 C6 C7 C8 -178.9(2) . . . . ?
C5 C6 C7 C8 0.8(4) . . . . ?
C6 C7 C8 C3 1.3(4) . . . . ?
C6 C7 C8 C9 178.2(2) . . . . ?
C4 C3 C8 C7 -2.4(4) . . . . ?
C2 C3 C8 C7 171.5(2) . . . . ?
C4 C3 C8 C9 -179.0(2) . . . . ?
C2 C3 C8 C9 -5.1(4) . . . . ?
N5 N4 C9 C10 -0.5(3) . . . . ?
Cu1 N4 C9 C10 -156.53(19) . . . . ?
N5 N4 C9 C8 -175.8(2) . . . . ?
Cu1 N4 C9 C8 28.2(4) . . . . ?
C7 C8 C9 N4 125.9(3) . . . . ?
C3 C8 C9 N4 -57.4(4) . . . . ?
C7 C8 C9 C10 -48.4(4) . . . . ?
C3 C8 C9 C10 128.4(3) . . . . ?
N5 N6 C10 C9 -0.3(3) . . . . ?
C18 N6 C10 C9 167.6(2) . . . . ?
N4 C9 C10 N6 0.5(3) . . . . ?
C8 C9 C10 N6 175.5(3) . . . . ?
N2 N3 C11 C12 103.6(3) . . . . ?
C1 N3 C11 C12 -81.8(4) . . . . ?
N3 C11 C12 C13 50.0(4) . . . . ?
N3 C11 C12 C17 -135.1(3) . . . . ?
C17 C12 C13 C14 0.6(4) . . . . ?
C11 C12 C13 C14 175.5(3) . . . . ?
C12 C13 C14 C15 0.5(4) . . . . ?
C13 C14 C15 C16 -1.2(5) . . . . ?
C14 C15 C16 C17 0.9(5) . . . . ?
C15 C16 C17 C12 0.1(5) . . . . ?
C13 C12 C17 C16 -0.8(4) . . . . ?
C11 C12 C17 C16 -175.9(3) . . . . ?
N5 N6 C18 C19 91.0(3) . . . . ?
C10 N6 C18 C19 -75.8(3) . . . . ?
N6 C18 C19 C20 84.3(3) . . . . ?
N6 C18 C19 C24 -93.7(3) . . . . ?
C24 C19 C20 C21 -0.4(4) . . . . ?
C18 C19 C20 C21 -178.5(3) . . . . ?
C19 C20 C21 C22 0.1(5) . . . . ?
C20 C21 C22 C23 0.0(5) . . . . ?
C21 C22 C23 C24 0.2(5) . . . . ?
C22 C23 C24 C19 -0.5(5) . . . . ?
C20 C19 C24 C23 0.7(5) . . . . ?
C18 C19 C24 C23 178.7(3) . . . . ?
