#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:25:15 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179789 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/85/7008595.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_7008595
loop_
_publ_author_name
'Bond, Andrew D.'
'Derossi, Sofia'
'Harding, Charles J.'
'McInnes, Eric J. L.'
'McKee, Vickie'
'McKenzie, Christine J.'
'Nelson, Jane'
'Wolowska, Joanna'
_publ_section_title
;
 Cascade complexation: a single cyano bridge links a pair of Cu(II)
 cations.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2403
_journal_page_last               2409
_journal_paper_doi               10.1039/b504916d
_journal_year                    2005
_chemical_formula_moiety
;
2(C37 H54 Cu2 N9 3+), C12 Cu6 N12 6-, H2 O, 6(C2 H6 O)
;
_chemical_formula_sum            'C98 H146 Cu10 N30 O7'
_chemical_formula_weight         2491.85
_chemical_name_common
;
[Cu₂(CN)L¹]₂[Cu₆(CN)₁₂].6(C₂H₆O).H₂O
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   16.7701(7)
_cell_length_b                   16.7701(7)
_cell_length_c                   34.138(2)
_cell_measurement_reflns_used    4476
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      21.43
_cell_measurement_theta_min      3.02
_cell_volume                     8314.6(7)
_computing_cell_refinement       'SAINT v.7.06a (Bruker, 2003)'
_computing_data_collection       'APEX2 v.1.0-8 (Bruker-Nonius, 2003)'
_computing_data_reduction        'SAINT v.7.06a (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL v.6.10 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL v.6.10 (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXTL v.6.10 (Sheldrick, 2000)'
_computing_structure_solution    'SHELXTL v.6.10 (Sheldrick, 2000)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker-Nonius X8APEX-II CCD'
_diffrn_measurement_method       'thin-slice ω and φ 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  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            12804
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.58
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.942
_exptl_absorpt_correction_T_max  0.759
_exptl_absorpt_correction_T_min  0.635
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v.2.10 (Sheldrick, 2003)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3870
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.814
_refine_diff_density_min         -1.033
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         4510
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.192
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0485
_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)+(0.0931P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1501
_refine_ls_wR_factor_ref         0.1648
_reflns_number_gt                3201
_reflns_number_total             4510
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b504916d.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7008595
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 0.6667 0.3333 -0.032957(17) 0.02235(19) Uani 1 3 d S . .
Cu2 Cu 0.6667 0.3333 0.118696(17) 0.02454(19) Uani 1 3 d S . .
N1 N 0.6667 0.3333 -0.09497(12) 0.0256(10) Uani 1 3 d S . .
N2 N 0.53566(17) 0.20826(17) -0.04078(7) 0.0242(5) Uani 1 1 d . A .
H2C H 0.4947 0.2102 -0.0230 0.029 Uiso 1 1 calc R . .
N5 N 0.6667 0.3333 0.18010(13) 0.0311(11) Uani 1 3 d S . .
N6 N 0.73488(18) 0.25168(18) 0.12657(7) 0.0261(6) Uani 1 1 d . A .
H6B H 0.7838 0.2745 0.1090 0.031 Uiso 1 1 calc R . .
C1 C 0.5848(2) 0.2453(2) -0.10892(8) 0.0303(7) Uani 1 1 d . . .
H1A H 0.6013 0.1964 -0.1106 0.036 Uiso 1 1 calc R A .
H1B H 0.5669 0.2546 -0.1354 0.036 Uiso 1 1 calc R . .
C2 C 0.5039(2) 0.2154(2) -0.08087(9) 0.0298(7) Uani 1 1 d . A .
H2A H 0.4830 0.2612 -0.0810 0.036 Uiso 1 1 calc R . .
H2B H 0.4518 0.1552 -0.0891 0.036 Uiso 1 1 calc R . .
C3 C 0.5316(2) 0.1171(2) -0.03525(9) 0.0284(7) Uani 1 1 d . . .
H3A H 0.5700 0.1098 -0.0554 0.034 Uiso 1 1 calc R A .
H3B H 0.4674 0.0664 -0.0385 0.034 Uiso 1 1 calc R . .
C4 C 0.5661(2) 0.1121(2) 0.00526(9) 0.0263(7) Uani 1 1 d . A .
C5 C 0.5102(2) 0.0988(2) 0.03789(9) 0.0276(7) Uani 1 1 d . . .
H5A H 0.4487 0.0859 0.0345 0.033 Uiso 1 1 calc R A .
C6 C 0.5455(2) 0.1046(2) 0.07558(10) 0.0289(7) Uani 1 1 d . A .
H6A H 0.5071 0.0938 0.0977 0.035 Uiso 1 1 calc R . .
C7 C 0.6376(2) 0.1264(2) 0.08092(9) 0.0281(7) Uani 1 1 d . . .
C8 C 0.6913(2) 0.1338(2) 0.04808(9) 0.0294(7) Uani 1 1 d . A .
H8A H 0.7522 0.1445 0.0513 0.035 Uiso 1 1 calc R . .
C9 C 0.6543(2) 0.1252(2) 0.01054(9) 0.0295(7) Uani 1 1 d . . .
H9A H 0.6898 0.1284 -0.0117 0.035 Uiso 1 1 calc R A .
C10 C 0.6808(2) 0.1485(2) 0.12106(10) 0.0327(7) Uani 1 1 d . A .
H10A H 0.7222 0.1227 0.1239 0.039 Uiso 1 1 calc R . .
H10B H 0.6322 0.1204 0.1413 0.039 Uiso 1 1 calc R . .
C11 C 0.7753(2) 0.2765(3) 0.16665(9) 0.0322(7) Uani 1 1 d . . .
H11A H 0.8288 0.3398 0.1667 0.039 Uiso 1 1 calc R A .
H11B H 0.7963 0.2336 0.1752 0.039 Uiso 1 1 calc R . .
C12 C 0.7009(3) 0.2702(3) 0.19437(9) 0.0347(8) Uani 1 1 d . . .
H12A H 0.6491 0.2059 0.1953 0.042 Uiso 1 1 calc R . .
H12B H 0.7264 0.2883 0.2211 0.042 Uiso 1 1 calc R . .
N100 N 0.6667 0.3333 0.02590(13) 0.0206(9) Uani 0.50 3 d SP A 1
C100 C 0.6667 0.3333 0.06006(14) 0.0229(10) Uani 0.50 3 d SP A 1
C101 C 0.6667 0.3333 0.02590(13) 0.0206(9) Uani 0.50 3 d SP A 2
N101 N 0.6667 0.3333 0.06006(14) 0.0229(10) Uani 0.50 3 d SP A 2
O1 O 0.2120(3) 0.3282(3) 0.00596(13) 0.0878(12) Uani 1 1 d . . .
H1 H 0.2133 0.3230 -0.0185 0.132 Uiso 1 1 calc R . .
C1S C 0.1952(6) 0.2493(6) 0.0230(3) 0.156(4) Uani 1 1 d D . .
H1SA H 0.2438 0.2360 0.0144 0.187 Uiso 1 1 calc R . .
H1SB H 0.1360 0.1996 0.0125 0.187 Uiso 1 1 calc R . .
C2S C 0.1904(8) 0.2435(7) 0.0655(3) 0.164(4) Uani 1 1 d D . .
H2SA H 0.1881 0.1866 0.0740 0.247 Uiso 1 1 calc R . .
H2SB H 0.1349 0.2435 0.0745 0.247 Uiso 1 1 calc R . .
H2SC H 0.2450 0.2966 0.0767 0.247 Uiso 1 1 calc R . .
Cu3 Cu 0.35426(4) 0.39035(3) 0.191682(15) 0.04658(19) Uani 1 1 d . . .
N1A N 0.4634(3) 0.5021(3) 0.17232(10) 0.0440(8) Uani 0.50 1 d P . 1
C1A C 0.5283(3) 0.5708(3) 0.16144(11) 0.0457(9) Uani 0.50 1 d P . 1
C1B C 0.4634(3) 0.5021(3) 0.17232(10) 0.0440(8) Uani 0.50 1 d P . 2
N1B N 0.5283(3) 0.5708(3) 0.16144(11) 0.0457(9) Uani 0.50 1 d P . 2
C102 C 0.3598(3) 0.3039(3) 0.22788(15) 0.0547(12) Uani 1 1 d . . .
N103 N 0.3613(3) 0.2516(3) 0.24973(15) 0.0773(14) Uani 1 1 d . . .
O100 O 0.0000 0.0000 0.0393(10) 0.228(14) Uiso 0.50 3 d SP . .
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'
O O 0.0106 0.0060 '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'
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
N100 Cu1 N1 180.0 . . ?
N100 Cu1 N2 97.08(7) . 3_665 ?
N1 Cu1 N2 82.92(7) . 3_665 ?
N100 Cu1 N2 97.08(7) . . ?
N1 Cu1 N2 82.92(7) . . ?
N2 Cu1 N2 118.50(3) 3_665 . ?
N100 Cu1 N2 97.08(7) . 2_655 ?
N1 Cu1 N2 82.92(7) . 2_655 ?
N2 Cu1 N2 118.50(3) 3_665 2_655 ?
N2 Cu1 N2 118.50(3) . 2_655 ?
C100 Cu2 N5 180.0 . . ?
C100 Cu2 N6 97.03(7) . . ?
N5 Cu2 N6 82.97(7) . . ?
C100 Cu2 N6 97.03(7) . 2_655 ?
N5 Cu2 N6 82.97(7) . 2_655 ?
N6 Cu2 N6 118.52(3) . 2_655 ?
C100 Cu2 N6 97.03(7) . 3_665 ?
N5 Cu2 N6 82.97(7) . 3_665 ?
N6 Cu2 N6 118.52(3) . 3_665 ?
N6 Cu2 N6 118.52(3) 2_655 3_665 ?
C1 N1 C1 110.46(18) 2_655 . ?
C1 N1 C1 110.46(18) 2_655 3_665 ?
C1 N1 C1 110.46(18) . 3_665 ?
C1 N1 Cu1 108.46(19) 2_655 . ?
C1 N1 Cu1 108.46(19) . . ?
C1 N1 Cu1 108.46(19) 3_665 . ?
C2 N2 C3 111.0(2) . . ?
C2 N2 Cu1 105.35(18) . . ?
C3 N2 Cu1 118.45(19) . . ?
C2 N2 H2C 107.2 . . ?
C3 N2 H2C 107.2 . . ?
Cu1 N2 H2C 107.2 . . ?
C12 N5 C12 110.2(2) . 2_655 ?
C12 N5 C12 110.2(2) . 3_665 ?
C12 N5 C12 110.2(2) 2_655 3_665 ?
C12 N5 Cu2 108.7(2) . . ?
C12 N5 Cu2 108.7(2) 2_655 . ?
C12 N5 Cu2 108.7(2) 3_665 . ?
C11 N6 C10 111.3(2) . . ?
C11 N6 Cu2 104.13(19) . . ?
C10 N6 Cu2 119.8(2) . . ?
C11 N6 H6B 107.0 . . ?
C10 N6 H6B 107.0 . . ?
Cu2 N6 H6B 107.0 . . ?
N1 C1 C2 110.4(3) . . ?
N1 C1 H1A 109.6 . . ?
C2 C1 H1A 109.6 . . ?
N1 C1 H1B 109.6 . . ?
C2 C1 H1B 109.6 . . ?
H1A C1 H1B 108.1 . . ?
N2 C2 C1 107.8(3) . . ?
N2 C2 H2A 110.1 . . ?
C1 C2 H2A 110.1 . . ?
N2 C2 H2B 110.1 . . ?
C1 C2 H2B 110.1 . . ?
H2A C2 H2B 108.5 . . ?
N2 C3 C4 110.2(2) . . ?
N2 C3 H3A 109.6 . . ?
C4 C3 H3A 109.6 . . ?
N2 C3 H3B 109.6 . . ?
C4 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
C9 C4 C5 119.7(3) . . ?
C9 C4 C3 120.8(3) . . ?
C5 C4 C3 119.4(3) . . ?
C6 C5 C4 119.6(3) . . ?
C6 C5 H5A 120.2 . . ?
C4 C5 H5A 120.2 . . ?
C5 C6 C7 120.5(3) . . ?
C5 C6 H6A 119.8 . . ?
C7 C6 H6A 119.8 . . ?
C8 C7 C6 119.4(3) . . ?
C8 C7 C10 119.7(3) . . ?
C6 C7 C10 120.7(3) . . ?
C9 C8 C7 119.3(3) . . ?
C9 C8 H8A 120.3 . . ?
C7 C8 H8A 120.3 . . ?
C4 C9 C8 121.1(3) . . ?
C4 C9 H9A 119.5 . . ?
C8 C9 H9A 119.5 . . ?
C7 C10 N6 109.5(3) . . ?
C7 C10 H10A 109.8 . . ?
N6 C10 H10A 109.8 . . ?
C7 C10 H10B 109.8 . . ?
N6 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
N6 C11 C12 107.9(3) . . ?
N6 C11 H11A 110.1 . . ?
C12 C11 H11A 110.1 . . ?
N6 C11 H11B 110.1 . . ?
C12 C11 H11B 110.1 . . ?
H11A C11 H11B 108.4 . . ?
N5 C12 C11 109.5(3) . . ?
N5 C12 H12A 109.8 . . ?
C11 C12 H12A 109.8 . . ?
N5 C12 H12B 109.8 . . ?
C11 C12 H12B 109.8 . . ?
H12A C12 H12B 108.2 . . ?
C100 N100 Cu1 180.0 . . ?
N100 C100 Cu2 180.0 . . ?
C1S O1 H1 109.5 . . ?
O1 C1S C2S 118.4(9) . . ?
O1 C1S H1SA 107.7 . . ?
C2S C1S H1SA 107.7 . . ?
O1 C1S H1SB 107.7 . . ?
C2S C1S H1SB 107.7 . . ?
H1SA C1S H1SB 107.1 . . ?
C1S C2S H2SA 109.5 . . ?
C1S C2S H2SB 109.5 . . ?
H2SA C2S H2SB 109.5 . . ?
C1S C2S H2SC 109.5 . . ?
H2SA C2S H2SC 109.5 . . ?
H2SB C2S H2SC 109.5 . . ?
C102 Cu3 N1A 123.78(17) . . ?
C102 Cu3 N1B 122.79(16) . 14_455 ?
N1A Cu3 N1B 113.41(14) . 14_455 ?
C102 Cu3 C1A 122.79(16) . 14_455 ?
N1A Cu3 C1A 113.41(14) . 14_455 ?
N1B Cu3 C1A 0.0(2) 14_455 14_455 ?
C1A N1A Cu3 177.9(3) . . ?
N1A C1A Cu3 176.1(4) . 15 ?
N103 C102 Cu3 178.7(4) . . ?
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 N100 2.009(4) . ?
Cu1 N1 2.117(4) . ?
Cu1 N2 2.165(2) 3_665 ?
Cu1 N2 2.166(2) . ?
Cu1 N2 2.166(2) 2_655 ?
Cu2 C100 2.002(5) . ?
Cu2 N5 2.096(4) . ?
Cu2 N6 2.196(3) . ?
Cu2 N6 2.196(3) 2_655 ?
Cu2 N6 2.196(3) 3_665 ?
N1 C1 1.504(4) 2_655 ?
N1 C1 1.504(4) . ?
N1 C1 1.504(4) 3_665 ?
N2 C2 1.495(4) . ?
N2 C3 1.508(4) . ?
N2 H2C 0.9300 . ?
N5 C12 1.516(4) . ?
N5 C12 1.516(4) 2_655 ?
N5 C12 1.516(4) 3_665 ?
N6 C11 1.491(4) . ?
N6 C10 1.511(4) . ?
N6 H6B 0.9300 . ?
C1 C2 1.527(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.518(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C9 1.394(5) . ?
C4 C5 1.400(4) . ?
C5 C6 1.399(4) . ?
C5 H5A 0.9500 . ?
C6 C7 1.410(5) . ?
C6 H6A 0.9500 . ?
C7 C8 1.404(5) . ?
C7 C10 1.507(4) . ?
C8 C9 1.400(4) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.527(5) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
N100 C100 1.166(7) . ?
O1 C1S 1.338(8) . ?
O1 H1 0.8400 . ?
C1S C2S 1.456(8) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2S H2SA 0.9800 . ?
C2S H2SB 0.9800 . ?
C2S H2SC 0.9800 . ?
Cu3 Cu3 5.1126(6) 15 ?
Cu3 C102 1.942(5) . ?
Cu3 N1A 1.967(4) . ?
Cu3 N1B 1.969(4) 14_455 ?
Cu3 C1A 1.969(4) 14_455 ?
N1A C1A 1.181(5) . ?
C1A Cu3 1.969(4) 15 ?
C102 N103 1.161(6) . ?
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
N2 Cu1 N1 C1 114.09(16) 3_665 . . 2_655 ?
N2 Cu1 N1 C1 -125.91(16) . . . 2_655 ?
N2 Cu1 N1 C1 -5.91(16) 2_655 . . 2_655 ?
N2 Cu1 N1 C1 -125.91(16) 3_665 . . . ?
N2 Cu1 N1 C1 -5.91(16) . . . . ?
N2 Cu1 N1 C1 114.09(16) 2_655 . . . ?
N2 Cu1 N1 C1 -5.91(16) 3_665 . . 3_665 ?
N2 Cu1 N1 C1 114.09(16) . . . 3_665 ?
N2 Cu1 N1 C1 -125.91(16) 2_655 . . 3_665 ?
N100 Cu1 N2 C2 157.27(19) . . . . ?
N1 Cu1 N2 C2 -22.73(19) . . . . ?
N2 Cu1 N2 C2 55.2(2) 3_665 . . . ?
N2 Cu1 N2 C2 -100.68(19) 2_655 . . . ?
N100 Cu1 N2 C3 -77.8(2) . . . . ?
N1 Cu1 N2 C3 102.2(2) . . . . ?
N2 Cu1 N2 C3 -179.89(15) 3_665 . . . ?
N2 Cu1 N2 C3 24.2(3) 2_655 . . . ?
N6 Cu2 N5 C12 -6.77(17) . . . . ?
N6 Cu2 N5 C12 -126.77(17) 2_655 . . . ?
N6 Cu2 N5 C12 113.23(17) 3_665 . . . ?
N6 Cu2 N5 C12 113.23(17) . . . 2_655 ?
N6 Cu2 N5 C12 -6.77(17) 2_655 . . 2_655 ?
N6 Cu2 N5 C12 -126.77(17) 3_665 . . 2_655 ?
N6 Cu2 N5 C12 -126.77(17) . . . 3_665 ?
N6 Cu2 N5 C12 113.23(16) 2_655 . . 3_665 ?
N6 Cu2 N5 C12 -6.77(16) 3_665 . . 3_665 ?
C100 Cu2 N6 C11 157.31(18) . . . . ?
N5 Cu2 N6 C11 -22.69(18) . . . . ?
N6 Cu2 N6 C11 55.3(2) 2_655 . . . ?
N6 Cu2 N6 C11 -100.72(19) 3_665 . . . ?
C100 Cu2 N6 C10 -77.6(2) . . . . ?
N5 Cu2 N6 C10 102.4(2) . . . . ?
N6 Cu2 N6 C10 -179.54(16) 2_655 . . . ?
N6 Cu2 N6 C10 24.4(3) 3_665 . . . ?
C1 N1 C1 C2 152.7(3) 2_655 . . . ?
C1 N1 C1 C2 -84.8(4) 3_665 . . . ?
Cu1 N1 C1 C2 33.9(3) . . . . ?
C3 N2 C2 C1 -82.5(3) . . . . ?
Cu1 N2 C2 C1 47.0(3) . . . . ?
N1 C1 C2 N2 -55.6(3) . . . . ?
C2 N2 C3 C4 178.8(3) . . . . ?
Cu1 N2 C3 C4 56.7(3) . . . . ?
N2 C3 C4 C9 -102.4(3) . . . . ?
N2 C3 C4 C5 74.3(3) . . . . ?
C9 C4 C5 C6 4.0(5) . . . . ?
C3 C4 C5 C6 -172.7(3) . . . . ?
C4 C5 C6 C7 1.9(5) . . . . ?
C5 C6 C7 C8 -6.0(5) . . . . ?
C5 C6 C7 C10 169.6(3) . . . . ?
C6 C7 C8 C9 4.1(5) . . . . ?
C10 C7 C8 C9 -171.5(3) . . . . ?
C5 C4 C9 C8 -5.9(5) . . . . ?
C3 C4 C9 C8 170.8(3) . . . . ?
C7 C8 C9 C4 1.8(5) . . . . ?
C8 C7 C10 N6 78.9(4) . . . . ?
C6 C7 C10 N6 -96.7(4) . . . . ?
C11 N6 C10 C7 177.4(3) . . . . ?
Cu2 N6 C10 C7 55.7(3) . . . . ?
C10 N6 C11 C12 -82.5(3) . . . . ?
Cu2 N6 C11 C12 47.9(3) . . . . ?
C12 N5 C12 C11 -83.7(4) 2_655 . . . ?
C12 N5 C12 C11 154.5(3) 3_665 . . . ?
Cu2 N5 C12 C11 35.4(3) . . . . ?
N6 C11 C12 N5 -57.6(3) . . . . ?
