#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:46:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179863 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/59/7015960.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_7015960
loop_
_publ_author_name
'Wen, Tian'
'Li, Mian'
'Zhou, Xiao-Ping'
'Li, Dan'
_publ_section_title
;
 Unprecedented copper(i)-catalyzed in situ double cycloaddition
 reaction based on 2-cyanopyrimidine.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5684
_journal_page_last               5686
_journal_paper_doi               10.1039/c1dt10488h
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C22 H12 Cu4 N16'
_chemical_formula_weight         754.64
_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                96.696(3)
_cell_angle_beta                 101.866(3)
_cell_angle_gamma                96.275(3)
_cell_formula_units_Z            2
_cell_length_a                   8.3754(15)
_cell_length_b                   10.891(2)
_cell_length_c                   14.418(3)
_cell_measurement_reflns_used    13481
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.93
_cell_measurement_theta_min      2.25
_cell_volume                     1266.2(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8878
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    3.363
_exptl_absorpt_correction_T_max  0.7297
_exptl_absorpt_correction_T_min  0.4319
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.979
_exptl_crystal_density_meas      1.979
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.830
_refine_diff_density_min         -1.167
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4375
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0581P)²+1.8747P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1111
_refine_ls_wR_factor_ref         0.1183
_reflns_number_gt                3619
_reflns_number_total             4375
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10488h.txt
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015960
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 0.24732(7) 0.10103(5) 0.66302(4) 0.04631(18) Uani 1 1 d . . .
Cu4 Cu -0.20438(7) 0.31488(5) 0.66491(5) 0.05011(19) Uani 1 1 d . . .
Cu3 Cu 0.30902(9) 0.76275(6) 0.95392(5) 0.0612(2) Uani 1 1 d . . .
Cu2 Cu 0.14778(9) 0.25285(5) 0.93383(6) 0.0642(2) Uani 1 1 d . . .
C1 C 0.2664(5) 0.5186(3) 1.0007(3) 0.0328(9) Uani 1 1 d . . .
N5 N 0.3153(4) -0.0842(3) 0.9025(2) 0.0335(7) Uani 1 1 d . . .
N9 N 0.3485(4) 0.6332(3) 1.0356(2) 0.0360(8) Uani 1 1 d . . .
N8 N 0.2894(5) 0.4154(3) 1.0392(3) 0.0412(9) Uani 1 1 d . . .
N10 N 0.0556(4) 0.3933(3) 0.8730(2) 0.0385(8) Uani 1 1 d . . .
N3 N 0.2853(5) 0.0639(3) 0.8085(2) 0.0372(8) Uani 1 1 d . . .
N12 N 0.1266(4) 0.5931(3) 0.8543(3) 0.0378(8) Uani 1 1 d . . .
N2 N 0.3420(4) -0.0724(3) 0.6548(2) 0.0371(8) Uani 1 1 d . . .
N4 N 0.2436(4) 0.1057(3) 0.8919(2) 0.0367(8) Uani 1 1 d . . .
C10 C 0.3266(5) -0.0493(4) 0.8174(3) 0.0321(9) Uani 1 1 d . . .
N11 N -0.0319(4) 0.4122(3) 0.7860(3) 0.0406(8) Uani 1 1 d . . .
C12 C 0.3771(5) -0.1193(4) 0.7381(3) 0.0357(9) Uani 1 1 d . . .
N6 N 0.1486(5) 0.1263(3) 1.0621(3) 0.0429(9) Uani 1 1 d . . .
C14 C 0.2633(5) 0.0155(3) 0.9461(3) 0.0316(9) Uani 1 1 d . . .
N13 N -0.1454(5) 0.4928(4) 0.6192(3) 0.0460(9) Uani 1 1 d . . .
N7 N 0.2507(5) -0.0657(4) 1.0916(3) 0.0491(10) Uani 1 1 d . . .
C17 C 0.1462(5) 0.5039(4) 0.9103(3) 0.0344(9) Uani 1 1 d . . .
N1 N 0.4552(5) -0.2178(3) 0.7527(3) 0.0427(9) Uani 1 1 d . . .
C19 C 0.2196(5) 0.0254(4) 1.0397(3) 0.0359(9) Uani 1 1 d . . .
C20 C 0.3939(6) -0.1290(4) 0.5813(3) 0.0448(11) Uani 1 1 d . . .
H20 H 0.3725 -0.0989 0.5229 0.054 Uiso 1 1 calc R . .
N14 N 0.0074(5) 0.6946(4) 0.6775(3) 0.0480(10) Uani 1 1 d . . .
N16 N 0.4420(5) 0.2104(4) 0.6522(3) 0.0489(9) Uani 1 1 d . . .
N15 N 0.0265(6) 0.1394(5) 0.6220(3) 0.0657(13) Uani 1 1 d . . .
C24 C 0.0160(5) 0.5311(4) 0.7773(3) 0.0369(9) Uani 1 1 d . . .
C25 C 0.5710(6) 0.2588(4) 0.6565(3) 0.0409(10) Uani 1 1 d . . .
C26 C 0.4041(6) 0.4272(4) 1.1202(3) 0.0477(11) Uani 1 1 d . . .
H26 H 0.4273 0.3563 1.1478 0.057 Uiso 1 1 calc R . .
C27 C -0.0835(5) 0.1896(4) 0.6145(3) 0.0416(10) Uani 1 1 d . . .
C28 C 0.5039(7) -0.2714(5) 0.6774(4) 0.0572(14) Uani 1 1 d . . .
H28 H 0.5587 -0.3407 0.6844 0.069 Uiso 1 1 calc R . .
C29 C 0.4569(6) 0.6434(4) 1.1189(3) 0.0443(11) Uani 1 1 d . . .
H29 H 0.5124 0.7217 1.1473 0.053 Uiso 1 1 calc R . .
C30 C -0.0444(5) 0.5777(4) 0.6867(3) 0.0380(9) Uani 1 1 d . . .
C31 C 0.4890(6) 0.5416(4) 1.1640(3) 0.0472(11) Uani 1 1 d . . .
H31 H 0.5652 0.5496 1.2219 0.057 Uiso 1 1 calc R . .
C32 C -0.0477(7) 0.7291(5) 0.5914(4) 0.0544(13) Uani 1 1 d . . .
H32 H -0.0156 0.8102 0.5817 0.065 Uiso 1 1 calc R . .
C33 C 0.1071(6) 0.1352(5) 1.1466(4) 0.0537(12) Uani 1 1 d . . .
H33 H 0.0593 0.2041 1.1662 0.064 Uiso 1 1 calc R . .
C34 C 0.2056(7) -0.0532(6) 1.1763(4) 0.0620(14) Uani 1 1 d . . .
H34 H 0.2249 -0.1140 1.2160 0.074 Uiso 1 1 calc R . .
C35 C 0.4774(7) -0.2296(5) 0.5895(3) 0.0548(13) Uani 1 1 d . . .
H35 H 0.5145 -0.2679 0.5384 0.066 Uiso 1 1 calc R . .
C36 C -0.1971(6) 0.5306(5) 0.5343(4) 0.0556(13) Uani 1 1 d . . .
H36 H -0.2672 0.4746 0.4854 0.067 Uiso 1 1 calc R . .
C37 C 0.1326(7) 0.0460(5) 1.2059(4) 0.0602(14) Uani 1 1 d . . .
H37 H 0.1011 0.0528 1.2643 0.072 Uiso 1 1 calc R . .
C38 C -0.1504(7) 0.6483(5) 0.5170(4) 0.0559(13) Uani 1 1 d . . .
H38 H -0.1864 0.6730 0.4574 0.067 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'
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
N15 Cu1 N16 122.57(18) . . ?
N15 Cu1 N2 130.72(17) . . ?
N16 Cu1 N2 99.11(15) . . ?
N15 Cu1 N3 109.56(16) . . ?
N16 Cu1 N3 107.31(15) . . ?
N2 Cu1 N3 77.48(13) . . ?
C25 Cu4 C27 114.47(19) 1_455 . ?
C25 Cu4 N11 127.26(17) 1_455 . ?
C27 Cu4 N11 103.16(17) . . ?
C25 Cu4 N13 117.23(17) 1_455 . ?
C27 Cu4 N13 111.43(18) . . ?
N11 Cu4 N13 77.83(14) . . ?
N5 Cu3 N9 164.12(15) 1_565 . ?
N5 Cu3 N12 114.88(14) 1_565 . ?
N9 Cu3 N12 80.99(13) . . ?
N4 Cu2 N10 136.06(15) . . ?
N4 Cu2 N8 123.86(15) . . ?
N10 Cu2 N8 80.03(13) . . ?
N4 Cu2 N6 75.85(13) . . ?
N10 Cu2 N6 145.98(14) . . ?
N8 Cu2 N6 90.36(12) . . ?
N8 C1 N9 126.0(4) . . ?
N8 C1 C17 116.2(4) . . ?
N9 C1 C17 117.7(3) . . ?
C10 N5 C14 102.3(3) . . ?
C10 N5 Cu3 135.6(3) . 1_545 ?
C14 N5 Cu3 120.3(3) . 1_545 ?
C29 N9 C1 116.1(3) . . ?
C29 N9 Cu3 127.2(3) . . ?
C1 N9 Cu3 116.5(3) . . ?
C1 N8 C26 116.6(4) . . ?
C1 N8 Cu2 108.1(3) . . ?
C26 N8 Cu2 134.4(3) . . ?
C17 N10 N11 104.7(3) . . ?
C17 N10 Cu2 112.1(3) . . ?
N11 N10 Cu2 138.1(3) . . ?
C10 N3 N4 106.1(3) . . ?
C10 N3 Cu1 112.3(3) . . ?
N4 N3 Cu1 139.2(3) . . ?
C17 N12 C24 101.3(3) . . ?
C17 N12 Cu3 100.3(3) . . ?
C24 N12 Cu3 158.5(3) . . ?
C20 N2 C12 116.6(4) . . ?
C20 N2 Cu1 127.2(3) . . ?
C12 N2 Cu1 115.4(3) . . ?
C14 N4 N3 106.1(3) . . ?
C14 N4 Cu2 120.5(3) . . ?
N3 N4 Cu2 133.1(2) . . ?
N3 C10 N5 112.7(4) . . ?
N3 C10 C12 119.1(3) . . ?
N5 C10 C12 128.2(3) . . ?
C24 N11 N10 105.9(3) . . ?
C24 N11 Cu4 113.5(3) . . ?
N10 N11 Cu4 140.6(3) . . ?
N1 C12 N2 125.9(4) . . ?
N1 C12 C10 119.9(4) . . ?
N2 C12 C10 114.2(4) . . ?
C33 N6 C19 115.4(4) . . ?
C33 N6 Cu2 137.2(3) . . ?
C19 N6 Cu2 107.3(3) . . ?
N4 C14 N5 112.7(3) . . ?
N4 C14 C19 121.1(4) . . ?
N5 C14 C19 126.1(3) . . ?
C36 N13 C30 116.0(4) . . ?
C36 N13 Cu4 129.4(3) . . ?
C30 N13 Cu4 114.6(3) . . ?
C19 N7 C34 115.1(4) . . ?
N12 C17 N10 114.7(4) . . ?
N12 C17 C1 124.1(4) . . ?
N10 C17 C1 121.0(4) . . ?
C28 N1 C12 115.4(4) . . ?
N7 C19 N6 127.4(4) . . ?
N7 C19 C14 117.4(4) . . ?
N6 C19 C14 115.1(4) . . ?
N2 C20 C35 122.0(4) . . ?
N2 C20 H20 119.0 . . ?
C35 C20 H20 119.0 . . ?
C30 N14 C32 115.8(4) . . ?
C25 N16 Cu1 166.6(4) . . ?
C27 N15 Cu1 161.5(5) . . ?
N11 C24 N12 113.5(4) . . ?
N11 C24 C30 119.4(4) . . ?
N12 C24 C30 127.0(4) . . ?
N16 C25 Cu4 171.2(4) . 1_655 ?
N8 C26 C31 121.7(4) . . ?
N8 C26 H26 119.2 . . ?
C31 C26 H26 119.2 . . ?
N15 C27 Cu4 150.2(4) . . ?
N1 C28 C35 123.5(5) . . ?
N1 C28 H28 118.3 . . ?
C35 C28 H28 118.3 . . ?
N9 C29 C31 121.9(4) . . ?
N9 C29 H29 119.1 . . ?
C31 C29 H29 119.1 . . ?
N14 C30 N13 126.4(4) . . ?
N14 C30 C24 119.1(4) . . ?
N13 C30 C24 114.4(4) . . ?
C29 C31 C26 117.5(4) . . ?
C29 C31 H31 121.2 . . ?
C26 C31 H31 121.2 . . ?
N14 C32 C38 122.2(5) . . ?
N14 C32 H32 118.9 . . ?
C38 C32 H32 118.9 . . ?
N6 C33 C37 122.1(5) . . ?
N6 C33 H33 119.0 . . ?
C37 C33 H33 119.0 . . ?
N7 C34 C37 122.1(5) . . ?
N7 C34 H34 118.9 . . ?
C37 C34 H34 118.9 . . ?
C20 C35 C28 116.7(5) . . ?
C20 C35 H35 121.7 . . ?
C28 C35 H35 121.7 . . ?
N13 C36 C38 122.3(5) . . ?
N13 C36 H36 118.8 . . ?
C38 C36 H36 118.8 . . ?
C34 C37 C33 117.9(5) . . ?
C34 C37 H37 121.1 . . ?
C33 C37 H37 121.1 . . ?
C36 C38 C32 117.3(4) . . ?
C36 C38 H38 121.4 . . ?
C32 C38 H38 121.4 . . ?
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 N15 1.929(6) . ?
Cu1 N16 1.956(4) . ?
Cu1 N2 2.127(3) . ?
Cu1 N3 2.149(3) . ?
Cu4 C25 1.888(5) 1_455 ?
Cu4 C27 1.947(4) . ?
Cu4 N11 2.111(4) . ?
Cu4 N13 2.158(4) . ?
Cu3 N5 1.901(3) 1_565 ?
Cu3 N9 1.953(3) . ?
Cu3 N12 2.382(4) . ?
Cu2 N4 1.958(3) . ?
Cu2 N10 2.000(3) . ?
Cu2 N8 2.241(4) . ?
Cu2 N6 2.431(4) . ?
C1 N8 1.326(5) . ?
C1 N9 1.344(5) . ?
C1 C17 1.455(6) . ?
N5 C10 1.345(5) . ?
N5 C14 1.349(5) . ?
N5 Cu3 1.901(3) 1_545 ?
N9 C29 1.334(5) . ?
N8 C26 1.334(6) . ?
N10 C17 1.341(5) . ?
N10 N11 1.367(5) . ?
N3 C10 1.330(5) . ?
N3 N4 1.362(5) . ?
N12 C17 1.336(5) . ?
N12 C24 1.346(5) . ?
N2 C20 1.337(6) . ?
N2 C12 1.348(5) . ?
N4 C14 1.328(5) . ?
C10 C12 1.460(6) . ?
N11 C24 1.341(5) . ?
C12 N1 1.331(5) . ?
N6 C33 1.330(6) . ?
N6 C19 1.344(6) . ?
C14 C19 1.464(6) . ?
N13 C36 1.339(6) . ?
N13 C30 1.341(6) . ?
N7 C19 1.327(5) . ?
N7 C34 1.348(6) . ?
N1 C28 1.331(6) . ?
C20 C35 1.367(7) . ?
C20 H20 0.9300 . ?
N14 C30 1.330(6) . ?
N14 C32 1.344(6) . ?
N16 C25 1.135(6) . ?
N15 C27 1.114(6) . ?
C24 C30 1.469(6) . ?
C25 Cu4 1.888(5) 1_655 ?
C26 C31 1.377(7) . ?
C26 H26 0.9300 . ?
C28 C35 1.380(7) . ?
C28 H28 0.9300 . ?
C29 C31 1.373(6) . ?
C29 H29 0.9300 . ?
C31 H31 0.9300 . ?
C32 C38 1.378(8) . ?
C32 H32 0.9300 . ?
C33 C37 1.373(8) . ?
C33 H33 0.9300 . ?
C34 C37 1.366(8) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C36 C38 1.366(7) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
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
N8 C1 N9 C29 -3.4(6) . . . . ?
C17 C1 N9 C29 179.6(4) . . . . ?
N8 C1 N9 Cu3 171.7(3) . . . . ?
C17 C1 N9 Cu3 -5.3(5) . . . . ?
N5 Cu3 N9 C29 -2.4(8) 1_565 . . . ?
N12 Cu3 N9 C29 176.1(4) . . . . ?
N5 Cu3 N9 C1 -177.0(5) 1_565 . . . ?
N12 Cu3 N9 C1 1.5(3) . . . . ?
N9 C1 N8 C26 0.4(6) . . . . ?
C17 C1 N8 C26 177.4(4) . . . . ?
N9 C1 N8 Cu2 -170.0(3) . . . . ?
C17 C1 N8 Cu2 7.0(4) . . . . ?
N4 Cu2 N8 C1 128.0(3) . . . . ?
N10 Cu2 N8 C1 -11.7(3) . . . . ?
N6 Cu2 N8 C1 -158.8(3) . . . . ?
N4 Cu2 N8 C26 -40.0(5) . . . . ?
N10 Cu2 N8 C26 -179.6(5) . . . . ?
N6 Cu2 N8 C26 33.2(5) . . . . ?
N4 Cu2 N10 C17 -115.1(3) . . . . ?
N8 Cu2 N10 C17 14.1(3) . . . . ?
N6 Cu2 N10 C17 89.7(4) . . . . ?
N4 Cu2 N10 N11 34.4(5) . . . . ?
N8 Cu2 N10 N11 163.7(4) . . . . ?
N6 Cu2 N10 N11 -120.8(4) . . . . ?
N15 Cu1 N3 C10 121.6(3) . . . . ?
N16 Cu1 N3 C10 -103.3(3) . . . . ?
N2 Cu1 N3 C10 -7.5(3) . . . . ?
N15 Cu1 N3 N4 -37.4(5) . . . . ?
N16 Cu1 N3 N4 97.7(4) . . . . ?
N2 Cu1 N3 N4 -166.5(4) . . . . ?
N5 Cu3 N12 C17 -178.1(2) 1_565 . . . ?
N9 Cu3 N12 C17 2.4(3) . . . . ?
N5 Cu3 N12 C24 1.4(9) 1_565 . . . ?
N9 Cu3 N12 C24 -178.2(8) . . . . ?
N15 Cu1 N2 C20 86.5(4) . . . . ?
N16 Cu1 N2 C20 -62.5(4) . . . . ?
N3 Cu1 N2 C20 -168.4(4) . . . . ?
N15 Cu1 N2 C12 -104.9(3) . . . . ?
N16 Cu1 N2 C12 106.1(3) . . . . ?
N3 Cu1 N2 C12 0.2(3) . . . . ?
C10 N3 N4 C14 0.4(4) . . . . ?
Cu1 N3 N4 C14 160.1(3) . . . . ?
C10 N3 N4 Cu2 -172.6(3) . . . . ?
Cu1 N3 N4 Cu2 -12.8(6) . . . . ?
N10 Cu2 N4 C14 -166.2(3) . . . . ?
N8 Cu2 N4 C14 80.5(3) . . . . ?
N6 Cu2 N4 C14 -0.2(3) . . . . ?
N10 Cu2 N4 N3 6.0(5) . . . . ?
N8 Cu2 N4 N3 -107.4(4) . . . . ?
N6 Cu2 N4 N3 171.9(4) . . . . ?
N4 N3 C10 N5 -0.4(5) . . . . ?
Cu1 N3 C10 N5 -166.2(3) . . . . ?
N4 N3 C10 C12 179.7(3) . . . . ?
Cu1 N3 C10 C12 13.9(5) . . . . ?
C14 N5 C10 N3 0.2(5) . . . . ?
Cu3 N5 C10 N3 164.2(3) 1_545 . . . ?
C14 N5 C10 C12 -179.9(4) . . . . ?
Cu3 N5 C10 C12 -15.9(7) 1_545 . . . ?
C17 N10 N11 C24 1.4(4) . . . . ?
Cu2 N10 N11 C24 -149.5(4) . . . . ?
C17 N10 N11 Cu4 178.6(4) . . . . ?
Cu2 N10 N11 Cu4 27.6(7) . . . . ?
C25 Cu4 N11 C24 -110.8(3) 1_455 . . . ?
C27 Cu4 N11 C24 113.8(3) . . . . ?
N13 Cu4 N11 C24 4.3(3) . . . . ?
C25 Cu4 N11 N10 72.2(5) 1_455 . . . ?
C27 Cu4 N11 N10 -63.2(5) . . . . ?
N13 Cu4 N11 N10 -172.7(5) . . . . ?
C20 N2 C12 N1 -1.6(6) . . . . ?
Cu1 N2 C12 N1 -171.4(3) . . . . ?
C20 N2 C12 C10 176.4(4) . . . . ?
Cu1 N2 C12 C10 6.5(4) . . . . ?
N3 C10 C12 N1 164.1(4) . . . . ?
N5 C10 C12 N1 -15.8(7) . . . . ?
N3 C10 C12 N2 -14.0(6) . . . . ?
N5 C10 C12 N2 166.1(4) . . . . ?
N4 Cu2 N6 C33 177.9(5) . . . . ?
N10 Cu2 N6 C33 -19.6(6) . . . . ?
N8 Cu2 N6 C33 52.9(5) . . . . ?
N4 Cu2 N6 C19 2.5(3) . . . . ?
N10 Cu2 N6 C19 165.0(3) . . . . ?
N8 Cu2 N6 C19 -122.5(3) . . . . ?
N3 N4 C14 N5 -0.3(5) . . . . ?
Cu2 N4 C14 N5 173.8(3) . . . . ?
N3 N4 C14 C19 -176.2(4) . . . . ?
Cu2 N4 C14 C19 -2.2(5) . . . . ?
C10 N5 C14 N4 0.0(5) . . . . ?
Cu3 N5 C14 N4 -167.0(3) 1_545 . . . ?
C10 N5 C14 C19 175.8(4) . . . . ?
Cu3 N5 C14 C19 8.7(5) 1_545 . . . ?
C25 Cu4 N13 C36 -57.4(5) 1_455 . . . ?
C27 Cu4 N13 C36 77.2(5) . . . . ?
N11 Cu4 N13 C36 176.7(5) . . . . ?
C25 Cu4 N13 C30 121.4(3) 1_455 . . . ?
C27 Cu4 N13 C30 -104.0(3) . . . . ?
N11 Cu4 N13 C30 -4.5(3) . . . . ?
C24 N12 C17 N10 -0.2(5) . . . . ?
Cu3 N12 C17 N10 179.6(3) . . . . ?
C24 N12 C17 C1 174.1(4) . . . . ?
Cu3 N12 C17 C1 -6.1(4) . . . . ?
N11 N10 C17 N12 -0.8(5) . . . . ?
Cu2 N10 C17 N12 158.7(3) . . . . ?
N11 N10 C17 C1 -175.3(4) . . . . ?
Cu2 N10 C17 C1 -15.7(5) . . . . ?
N8 C1 C17 N12 -168.8(4) . . . . ?
N9 C1 C17 N12 8.5(6) . . . . ?
N8 C1 C17 N10 5.1(6) . . . . ?
N9 C1 C17 N10 -177.6(4) . . . . ?
N2 C12 N1 C28 1.3(7) . . . . ?
C10 C12 N1 C28 -176.6(4) . . . . ?
C34 N7 C19 N6 -0.4(7) . . . . ?
C34 N7 C19 C14 -178.9(4) . . . . ?
C33 N6 C19 N7 0.8(7) . . . . ?
Cu2 N6 C19 N7 177.4(4) . . . . ?
C33 N6 C19 C14 179.3(4) . . . . ?
Cu2 N6 C19 C14 -4.1(4) . . . . ?
N4 C14 C19 N7 -176.7(4) . . . . ?
N5 C14 C19 N7 7.9(6) . . . . ?
N4 C14 C19 N6 4.7(6) . . . . ?
N5 C14 C19 N6 -170.7(4) . . . . ?
C12 N2 C20 C35 0.4(7) . . . . ?
Cu1 N2 C20 C35 168.9(4) . . . . ?
N15 Cu1 N16 C25 170.2(17) . . . . ?
N2 Cu1 N16 C25 -37.4(18) . . . . ?
N3 Cu1 N16 C25 42.3(18) . . . . ?
N16 Cu1 N15 C27 -55.2(14) . . . . ?
N2 Cu1 N15 C27 161.9(13) . . . . ?
N3 Cu1 N15 C27 71.8(13) . . . . ?
N10 N11 C24 N12 -1.7(5) . . . . ?
Cu4 N11 C24 N12 -179.7(3) . . . . ?
N10 N11 C24 C30 174.2(4) . . . . ?
Cu4 N11 C24 C30 -3.8(5) . . . . ?
C17 N12 C24 N11 1.2(5) . . . . ?
Cu3 N12 C24 N11 -178.3(6) . . . . ?
C17 N12 C24 C30 -174.4(4) . . . . ?
Cu3 N12 C24 C30 6.1(11) . . . . ?
Cu1 N16 C25 Cu4 30(4) . . . 1_655 ?
C1 N8 C26 C31 2.9(7) . . . . ?
Cu2 N8 C26 C31 170.1(4) . . . . ?
Cu1 N15 C27 Cu4 -23(2) . . . . ?
C25 Cu4 C27 N15 -132.5(8) 1_455 . . . ?
N11 Cu4 C27 N15 9.7(9) . . . . ?
N13 Cu4 C27 N15 91.6(9) . . . . ?
C12 N1 C28 C35 0.2(8) . . . . ?
C1 N9 C29 C31 3.3(7) . . . . ?
Cu3 N9 C29 C31 -171.3(4) . . . . ?
C32 N14 C30 N13 -0.3(7) . . . . ?
C32 N14 C30 C24 177.4(4) . . . . ?
C36 N13 C30 N14 0.6(7) . . . . ?
Cu4 N13 C30 N14 -178.4(4) . . . . ?
C36 N13 C30 C24 -177.2(4) . . . . ?
Cu4 N13 C30 C24 3.9(5) . . . . ?
N11 C24 C30 N14 -178.0(4) . . . . ?
N12 C24 C30 N14 -2.7(7) . . . . ?
N11 C24 C30 N13 -0.1(6) . . . . ?
N12 C24 C30 N13 175.2(4) . . . . ?
N9 C29 C31 C26 -0.3(7) . . . . ?
N8 C26 C31 C29 -2.9(7) . . . . ?
C30 N14 C32 C38 -0.5(7) . . . . ?
C19 N6 C33 C37 -1.2(7) . . . . ?
Cu2 N6 C33 C37 -176.3(4) . . . . ?
C19 N7 C34 C37 0.4(8) . . . . ?
N2 C20 C35 C28 0.8(8) . . . . ?
N1 C28 C35 C20 -1.2(9) . . . . ?
C30 N13 C36 C38 -0.1(7) . . . . ?
Cu4 N13 C36 C38 178.7(4) . . . . ?
N7 C34 C37 C33 -0.7(8) . . . . ?
N6 C33 C37 C34 1.1(8) . . . . ?
N13 C36 C38 C32 -0.7(8) . . . . ?
N14 C32 C38 C36 1.0(8) . . . . ?
