#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:06:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179231 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/51/4315154.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_4315154
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 H40 Cu4 I4 N12'
_chemical_formula_sum            'C48 H40 Cu4 I4 N12'
_chemical_formula_weight         1546.68
_chemical_name_common            eisjfm43
_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                90.175(2)
_cell_angle_beta                 108.660(1)
_cell_angle_gamma                100.074(1)
_cell_formula_units_Z            1
_cell_length_a                   9.4633(7)
_cell_length_b                   11.0674(8)
_cell_length_c                   12.2561(9)
_cell_measurement_reflns_used    4076
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      37.41
_cell_measurement_theta_min      2.41
_cell_volume                     1195.01(15)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_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 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0395
_diffrn_reflns_av_sigmaI/netI    0.0548
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            26582
_diffrn_reflns_theta_full        35.63
_diffrn_reflns_theta_max         35.63
_diffrn_reflns_theta_min         1.76
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.389
_exptl_absorpt_correction_T_max  0.5809
_exptl_absorpt_correction_T_min  0.4539
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.149
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.210
_refine_diff_density_min         -1.168
_refine_diff_density_rms         0.201
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         10825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0388
_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)+(0.0450P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0821
_refine_ls_wR_factor_ref         0.0918
_reflns_number_gt                7836
_reflns_number_total             10825
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic902236n_si_003_1.cif
_cod_data_source_block           1
_cod_database_code               4315154
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 0.11584(4) 0.72593(3) 0.09985(3) 0.01716(8) Uani 1 1 d . . .
Cu2 Cu 0.10380(4) 0.42761(3) 0.05137(3) 0.01748(8) Uani 1 1 d . . .
I1 I -0.04003(2) 0.525466(17) 0.174879(17) 0.01683(5) Uani 1 1 d . . .
I2 I 0.08653(2) 0.191999(17) 0.059556(17) 0.01682(5) Uani 1 1 d . . .
N1 N 0.2268(3) 0.8440(2) 0.2415(2) 0.0174(5) Uani 1 1 d . . .
N2 N 0.1634(3) 0.8505(2) 0.3221(2) 0.0176(5) Uani 1 1 d . . .
N3 N 0.2530(3) 0.9407(2) 0.3989(2) 0.0167(5) Uani 1 1 d . . .
N4 N 0.3133(3) 0.6666(2) 0.1129(2) 0.0155(4) Uani 1 1 d . . .
N5 N 0.3122(3) 0.5469(2) 0.1145(2) 0.0170(5) Uani 1 1 d . . .
N6 N 0.4563(3) 0.5308(2) 0.1460(2) 0.0172(5) Uani 1 1 d . . .
C1 C 0.3718(3) 0.9932(3) 0.3674(3) 0.0170(5) Uani 1 1 d . . .
H1 H 0.4494 1.0604 0.4064 0.020 Uiso 1 1 calc R . .
C2 C 0.3575(3) 0.9292(3) 0.2667(3) 0.0158(5) Uani 1 1 d . . .
C3 C 0.4632(3) 0.9521(3) 0.1997(2) 0.0151(5) Uani 1 1 d . . .
C4 C 0.5320(4) 1.0756(3) 0.2010(3) 0.0186(5) Uani 1 1 d . . .
H4 H 0.4983 1.1378 0.2345 0.022 Uiso 1 1 calc R . .
C5 C 0.6478(4) 1.1089(3) 0.1548(3) 0.0219(6) Uani 1 1 d . . .
H5 H 0.6932 1.1930 0.1572 0.026 Uiso 1 1 calc R . .
C6 C 0.6971(4) 1.0189(3) 0.1049(3) 0.0204(6) Uani 1 1 d . . .
H6 H 0.7773 1.0408 0.0737 0.024 Uiso 1 1 calc R . .
C7 C 0.6287(3) 0.8973(3) 0.1009(3) 0.0185(5) Uani 1 1 d . . .
H7 H 0.6615 0.8363 0.0652 0.022 Uiso 1 1 calc R . .
C8 C 0.5126(3) 0.8616(3) 0.1481(3) 0.0156(5) Uani 1 1 d . . .
C9 C 0.4602(3) 0.7277(3) 0.1444(3) 0.0157(5) Uani 1 1 d . . .
C10 C 0.5513(3) 0.6405(3) 0.1653(3) 0.0182(5) Uani 1 1 d . . .
H10 H 0.6590 0.6546 0.1885 0.022 Uiso 1 1 calc R . .
C11 C 0.2101(4) 0.9737(3) 0.4978(3) 0.0178(5) Uani 1 1 d . . .
H11A H 0.2986 0.9797 0.5690 0.021 Uiso 1 1 calc R . .
H11B H 0.1286 0.9084 0.5057 0.021 Uiso 1 1 calc R . .
C12 C 0.1553(3) 1.0949(3) 0.4842(3) 0.0170(5) Uani 1 1 d . . .
C13 C 0.0883(3) 1.1345(3) 0.3763(3) 0.0189(6) Uani 1 1 d . . .
H13 H 0.0742 1.0842 0.3093 0.023 Uiso 1 1 calc R . .
C14 C 0.0413(4) 1.2475(3) 0.3650(3) 0.0209(6) Uani 1 1 d . . .
H14 H -0.0031 1.2750 0.2905 0.025 Uiso 1 1 calc R . .
C15 C 0.0597(4) 1.3202(3) 0.4637(3) 0.0233(6) Uani 1 1 d . . .
H15 H 0.0296 1.3981 0.4566 0.028 Uiso 1 1 calc R . .
C16 C 0.1214(4) 1.2788(3) 0.5711(3) 0.0244(7) Uani 1 1 d . . .
H16 H 0.1307 1.3271 0.6381 0.029 Uiso 1 1 calc R . .
C17 C 0.1705(4) 1.1664(3) 0.5826(3) 0.0205(6) Uani 1 1 d . . .
H17 H 0.2141 1.1387 0.6571 0.025 Uiso 1 1 calc R . .
C18 C 0.4949(3) 0.4091(3) 0.1680(3) 0.0197(6) Uani 1 1 d . . .
H18A H 0.5842 0.4034 0.1442 0.024 Uiso 1 1 calc R . .
H18B H 0.4090 0.3459 0.1211 0.024 Uiso 1 1 calc R . .
C19 C 0.5300(3) 0.3837(3) 0.2943(3) 0.0183(5) Uani 1 1 d . . .
C20 C 0.6760(4) 0.3752(3) 0.3620(3) 0.0223(6) Uani 1 1 d . . .
H20 H 0.7553 0.3858 0.3292 0.027 Uiso 1 1 calc R . .
C21 C 0.7072(4) 0.3511(3) 0.4784(3) 0.0267(7) Uani 1 1 d . . .
H21 H 0.8074 0.3452 0.5246 0.032 Uiso 1 1 calc R . .
C22 C 0.5914(4) 0.3360(3) 0.5261(3) 0.0247(7) Uani 1 1 d . . .
H22 H 0.6120 0.3192 0.6051 0.030 Uiso 1 1 calc R . .
C23 C 0.4456(4) 0.3455(3) 0.4590(3) 0.0254(7) Uani 1 1 d . . .
H23 H 0.3669 0.3362 0.4925 0.030 Uiso 1 1 calc R . .
C24 C 0.4135(4) 0.3683(3) 0.3434(3) 0.0236(6) Uani 1 1 d . . .
H24 H 0.3130 0.3734 0.2975 0.028 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'
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 90.17(10) . . ?
N1 Cu1 I2 115.21(8) . 2_565 ?
N4 Cu1 I2 135.70(7) . 2_565 ?
N1 Cu1 Cu2 159.85(7) . 2_565 ?
N4 Cu1 Cu2 106.58(7) . 2_565 ?
I2 Cu1 Cu2 59.841(13) 2_565 2_565 ?
N1 Cu1 I1 106.32(8) . . ?
N4 Cu1 I1 100.84(7) . . ?
I2 Cu1 I1 105.307(15) 2_565 . ?
Cu2 Cu1 I1 60.272(13) 2_565 . ?
N5 Cu2 I2 120.89(7) . . ?
N5 Cu2 Cu1 156.25(8) . 2_565 ?
I2 Cu2 Cu1 58.646(13) . 2_565 ?
N5 Cu2 I1 97.93(7) . . ?
I2 Cu2 I1 114.836(16) . . ?
Cu1 Cu2 I1 103.271(16) 2_565 . ?
N5 Cu2 I1 97.95(7) . 2_565 ?
I2 Cu2 I1 106.045(15) . 2_565 ?
Cu1 Cu2 I1 62.421(13) 2_565 2_565 ?
I1 Cu2 I1 118.702(15) . 2_565 ?
N5 Cu2 Cu2 105.71(7) . 2_565 ?
I2 Cu2 Cu2 132.99(2) . 2_565 ?
Cu1 Cu2 Cu2 76.450(18) 2_565 2_565 ?
I1 Cu2 Cu2 60.115(15) . 2_565 ?
I1 Cu2 Cu2 58.586(15) 2_565 2_565 ?
Cu2 I1 Cu2 61.299(15) . 2_565 ?
Cu2 I1 Cu1 75.372(13) . . ?
Cu2 I1 Cu1 57.308(12) 2_565 . ?
Cu1 I2 Cu2 61.513(13) 2_565 . ?
N2 N1 C2 110.1(2) . . ?
N2 N1 Cu1 118.94(19) . . ?
C2 N1 Cu1 130.7(2) . . ?
N1 N2 N3 106.4(2) . . ?
N2 N3 C1 111.3(3) . . ?
N2 N3 C11 119.7(2) . . ?
C1 N3 C11 128.9(3) . . ?
N5 N4 C9 108.9(2) . . ?
N5 N4 Cu1 118.12(18) . . ?
C9 N4 Cu1 131.5(2) . . ?
N4 N5 N6 107.8(2) . . ?
N4 N5 Cu2 118.18(19) . . ?
N6 N5 Cu2 133.4(2) . . ?
N5 N6 C10 110.2(2) . . ?
N5 N6 C18 121.3(2) . . ?
C10 N6 C18 128.0(3) . . ?
N3 C1 C2 105.5(3) . . ?
N3 C1 H1 127.3 . . ?
C2 C1 H1 127.3 . . ?
N1 C2 C1 106.6(3) . . ?
N1 C2 C3 127.7(3) . . ?
C1 C2 C3 125.7(3) . . ?
C8 C3 C4 118.5(3) . . ?
C8 C3 C2 125.7(3) . . ?
C4 C3 C2 115.3(3) . . ?
C5 C4 C3 121.6(3) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C4 C5 C6 119.6(3) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C7 C6 C5 119.5(3) . . ?
C7 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C6 C7 C8 121.8(3) . . ?
C6 C7 H7 119.1 . . ?
C8 C7 H7 119.1 . . ?
C7 C8 C3 118.9(3) . . ?
C7 C8 C9 114.8(3) . . ?
C3 C8 C9 126.1(3) . . ?
N4 C9 C10 107.3(3) . . ?
N4 C9 C8 126.8(3) . . ?
C10 C9 C8 125.8(3) . . ?
N6 C10 C9 105.8(3) . . ?
N6 C10 H10 127.1 . . ?
C9 C10 H10 127.1 . . ?
N3 C11 C12 111.3(2) . . ?
N3 C11 H11A 109.4 . . ?
C12 C11 H11A 109.4 . . ?
N3 C11 H11B 109.4 . . ?
C12 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
C13 C12 C17 119.8(3) . . ?
C13 C12 C11 121.1(3) . . ?
C17 C12 C11 119.1(3) . . ?
C12 C13 C14 120.5(3) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C13 C14 C15 119.6(3) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C16 C15 C14 119.9(3) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C17 120.5(3) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C16 C17 C12 119.6(3) . . ?
C16 C17 H17 120.2 . . ?
C12 C17 H17 120.2 . . ?
N6 C18 C19 111.5(3) . . ?
N6 C18 H18A 109.3 . . ?
C19 C18 H18A 109.3 . . ?
N6 C18 H18B 109.3 . . ?
C19 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
C20 C19 C24 119.5(3) . . ?
C20 C19 C18 120.7(3) . . ?
C24 C19 C18 119.7(3) . . ?
C19 C20 C21 120.3(3) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C22 C21 C20 119.7(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C23 C22 C21 120.1(3) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 120.5(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C19 119.8(3) . . ?
C23 C24 H24 120.1 . . ?
C19 C24 H24 120.1 . . ?
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 2.040(3) . ?
Cu1 N4 2.046(2) . ?
Cu1 I2 2.5564(4) 2_565 ?
Cu1 Cu2 2.6311(5) 2_565 ?
Cu1 I1 2.7711(4) . ?
Cu2 N5 2.083(2) . ?
Cu2 I2 2.5883(5) . ?
Cu2 Cu1 2.6310(5) 2_565 ?
Cu2 I1 2.6723(4) . ?
Cu2 I1 2.7148(5) 2_565 ?
Cu2 Cu2 2.7465(8) 2_565 ?
I1 Cu2 2.7149(5) 2_565 ?
I2 Cu1 2.5563(4) 2_565 ?
N1 N2 1.318(4) . ?
N1 C2 1.364(4) . ?
N2 N3 1.337(4) . ?
N3 C1 1.342(4) . ?
N3 C11 1.460(4) . ?
N4 N5 1.322(3) . ?
N4 C9 1.366(4) . ?
N5 N6 1.337(3) . ?
N6 C10 1.349(4) . ?
N6 C18 1.460(4) . ?
C1 C2 1.377(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.476(4) . ?
C3 C8 1.404(4) . ?
C3 C4 1.405(4) . ?
C4 C5 1.384(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.388(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.380(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.399(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.474(4) . ?
C9 C10 1.376(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.511(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.381(4) . ?
C12 C17 1.394(4) . ?
C13 C14 1.392(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.397(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.375(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.394(5) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.514(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.386(4) . ?
C19 C24 1.401(4) . ?
C20 C21 1.398(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.385(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.384(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.385(5) . ?
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 103.61(8) . . . 2_565 ?
I2 Cu2 I1 Cu2 -126.91(2) . . . 2_565 ?
Cu1 Cu2 I1 Cu2 -65.595(17) 2_565 . . 2_565 ?
I1 Cu2 I1 Cu2 0.0 2_565 . . 2_565 ?
N5 Cu2 I1 Cu1 43.19(7) . . . . ?
I2 Cu2 I1 Cu1 172.657(18) . . . . ?
Cu1 Cu2 I1 Cu1 -126.023(15) 2_565 . . . ?
I1 Cu2 I1 Cu1 -60.428(15) 2_565 . . . ?
Cu2 Cu2 I1 Cu1 -60.428(15) 2_565 . . . ?
N1 Cu1 I1 Cu2 -131.39(8) . . . . ?
N4 Cu1 I1 Cu2 -37.99(7) . . . . ?
I2 Cu1 I1 Cu2 105.901(16) 2_565 . . . ?
Cu2 Cu1 I1 Cu2 65.023(17) 2_565 . . . ?
N1 Cu1 I1 Cu2 163.58(8) . . . 2_565 ?
N4 Cu1 I1 Cu2 -103.02(7) . . . 2_565 ?
I2 Cu1 I1 Cu2 40.877(14) 2_565 . . 2_565 ?
N5 Cu2 I2 Cu1 -152.18(9) . . . 2_565 ?
I1 Cu2 I2 Cu1 90.814(19) . . . 2_565 ?
I1 Cu2 I2 Cu1 -42.324(14) 2_565 . . 2_565 ?
Cu2 Cu2 I2 Cu1 19.42(3) 2_565 . . 2_565 ?
N4 Cu1 N1 N2 -134.6(2) . . . . ?
I2 Cu1 N1 N2 83.0(2) 2_565 . . . ?
Cu2 Cu1 N1 N2 12.2(4) 2_565 . . . ?
I1 Cu1 N1 N2 -33.2(2) . . . . ?
N4 Cu1 N1 C2 51.0(3) . . . . ?
I2 Cu1 N1 C2 -91.5(3) 2_565 . . . ?
Cu2 Cu1 N1 C2 -162.26(18) 2_565 . . . ?
I1 Cu1 N1 C2 152.3(3) . . . . ?
C2 N1 N2 N3 0.5(3) . . . . ?
Cu1 N1 N2 N3 -175.06(19) . . . . ?
N1 N2 N3 C1 0.9(3) . . . . ?
N1 N2 N3 C11 177.9(3) . . . . ?
N1 Cu1 N4 N5 127.6(2) . . . . ?
I2 Cu1 N4 N5 -104.6(2) 2_565 . . . ?
Cu2 Cu1 N4 N5 -41.1(2) 2_565 . . . ?
I1 Cu1 N4 N5 20.9(2) . . . . ?
N1 Cu1 N4 C9 -36.8(3) . . . . ?
I2 Cu1 N4 C9 91.0(3) 2_565 . . . ?
Cu2 Cu1 N4 C9 154.6(3) 2_565 . . . ?
I1 Cu1 N4 C9 -143.5(3) . . . . ?
C9 N4 N5 N6 -0.4(3) . . . . ?
Cu1 N4 N5 N6 -168.04(19) . . . . ?
C9 N4 N5 Cu2 -172.73(19) . . . . ?
Cu1 N4 N5 Cu2 19.6(3) . . . . ?
I2 Cu2 N5 N4 -176.92(18) . . . . ?
Cu1 Cu2 N5 N4 101.5(2) 2_565 . . . ?
I1 Cu2 N5 N4 -51.6(2) . . . . ?
I1 Cu2 N5 N4 69.0(2) 2_565 . . . ?
Cu2 Cu2 N5 N4 9.4(2) 2_565 . . . ?
I2 Cu2 N5 N6 13.1(3) . . . . ?
Cu1 Cu2 N5 N6 -68.5(4) 2_565 . . . ?
I1 Cu2 N5 N6 138.4(3) . . . . ?
I1 Cu2 N5 N6 -101.0(3) 2_565 . . . ?
Cu2 Cu2 N5 N6 -160.5(3) 2_565 . . . ?
N4 N5 N6 C10 0.2(3) . . . . ?
Cu2 N5 N6 C10 171.0(2) . . . . ?
N4 N5 N6 C18 173.4(3) . . . . ?
Cu2 N5 N6 C18 -15.9(4) . . . . ?
N2 N3 C1 C2 -1.9(3) . . . . ?
C11 N3 C1 C2 -178.5(3) . . . . ?
N2 N1 C2 C1 -1.6(3) . . . . ?
Cu1 N1 C2 C1 173.2(2) . . . . ?
N2 N1 C2 C3 179.6(3) . . . . ?
Cu1 N1 C2 C3 -5.6(5) . . . . ?
N3 C1 C2 N1 2.0(3) . . . . ?
N3 C1 C2 C3 -179.1(3) . . . . ?
N1 C2 C3 C8 -43.0(5) . . . . ?
C1 C2 C3 C8 138.5(3) . . . . ?
N1 C2 C3 C4 145.0(3) . . . . ?
C1 C2 C3 C4 -33.6(4) . . . . ?
C8 C3 C4 C5 -1.1(5) . . . . ?
C2 C3 C4 C5 171.5(3) . . . . ?
C3 C4 C5 C6 0.5(5) . . . . ?
C4 C5 C6 C7 0.7(5) . . . . ?
C5 C6 C7 C8 -1.4(5) . . . . ?
C6 C7 C8 C3 0.7(5) . . . . ?
C6 C7 C8 C9 -175.5(3) . . . . ?
C4 C3 C8 C7 0.5(4) . . . . ?
C2 C3 C8 C7 -171.3(3) . . . . ?
C4 C3 C8 C9 176.3(3) . . . . ?
C2 C3 C8 C9 4.5(5) . . . . ?
N5 N4 C9 C10 0.3(3) . . . . ?
Cu1 N4 C9 C10 165.8(2) . . . . ?
N5 N4 C9 C8 176.5(3) . . . . ?
Cu1 N4 C9 C8 -18.0(5) . . . . ?
C7 C8 C9 N4 -135.4(3) . . . . ?
C3 C8 C9 N4 48.6(5) . . . . ?
C7 C8 C9 C10 40.1(4) . . . . ?
C3 C8 C9 C10 -135.9(3) . . . . ?
N5 N6 C10 C9 0.0(4) . . . . ?
C18 N6 C10 C9 -172.6(3) . . . . ?
N4 C9 C10 N6 -0.2(3) . . . . ?
C8 C9 C10 N6 -176.4(3) . . . . ?
N2 N3 C11 C12 -106.7(3) . . . . ?
C1 N3 C11 C12 69.7(4) . . . . ?
N3 C11 C12 C13 28.2(4) . . . . ?
N3 C11 C12 C17 -153.0(3) . . . . ?
C17 C12 C13 C14 2.6(5) . . . . ?
C11 C12 C13 C14 -178.7(3) . . . . ?
C12 C13 C14 C15 -1.2(5) . . . . ?
C13 C14 C15 C16 -1.2(5) . . . . ?
C14 C15 C16 C17 2.1(5) . . . . ?
C15 C16 C17 C12 -0.7(5) . . . . ?
C13 C12 C17 C16 -1.7(5) . . . . ?
C11 C12 C17 C16 179.5(3) . . . . ?
N5 N6 C18 C19 -92.7(3) . . . . ?
C10 N6 C18 C19 79.1(4) . . . . ?
N6 C18 C19 C20 -111.6(3) . . . . ?
N6 C18 C19 C24 68.6(4) . . . . ?
C24 C19 C20 C21 0.1(5) . . . . ?
C18 C19 C20 C21 -179.7(3) . . . . ?
C19 C20 C21 C22 -0.1(5) . . . . ?
C20 C21 C22 C23 -0.4(5) . . . . ?
C21 C22 C23 C24 0.9(5) . . . . ?
C22 C23 C24 C19 -0.9(5) . . . . ?
C20 C19 C24 C23 0.4(5) . . . . ?
C18 C19 C24 C23 -179.8(3) . . . . ?
