#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:46:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179863 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/59/7015958.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_7015958
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_moiety         'C16 H9 Cu3 N14'
_chemical_formula_sum            'C16 H9 Cu3 N14'
_chemical_formula_weight         587.99
_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                107.2920(10)
_cell_angle_beta                 91.1910(10)
_cell_angle_gamma                109.5120(10)
_cell_formula_units_Z            2
_cell_length_a                   9.7029(6)
_cell_length_b                   10.1842(6)
_cell_length_c                   11.1003(7)
_cell_measurement_temperature    293(2)
_cell_volume                     978.34(10)
_computing_cell_refinement       'SMART (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  SHELXS-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX area-dectector diffractometer'
_diffrn_measurement_method       'φ and ω-scan'
_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  0.0222
_diffrn_reflns_av_sigmaI/netI    0.0444
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5707
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.94
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.272
_exptl_absorpt_correction_T_max  0.920
_exptl_absorpt_correction_T_min  0.707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.996
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             580
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.764
_refine_diff_density_min         -0.477
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3369
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0466
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0717P)²+0.7339P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1135
_refine_ls_wR_factor_ref         0.1496
_reflns_number_gt                2459
_reflns_number_total             3369
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10488h.txt
_cod_data_source_block           1
_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.

'_refine_ls_hydrogen_treatment' value 'Constr' changed to
'constr' 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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'no' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015958
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 0.27972(9) 0.83364(8) 0.64778(8) 0.0469(3) Uani 1 1 d . . .
Cu2 Cu 0.44893(10) 1.41679(9) 0.56854(9) 0.0567(3) Uani 1 1 d . . .
Cu3 Cu 0.08230(10) 1.05701(11) 0.29632(9) 0.0627(3) Uani 1 1 d . . .
C8 C 0.7724(8) 1.3889(9) 0.8380(8) 0.069(2) Uani 1 1 d . . .
H8 H 0.8584 1.4483 0.8938 0.083 Uiso 1 1 calc R . .
N6 N 0.0258(5) 0.8605(5) 0.7927(5) 0.0384(11) Uani 1 1 d . . .
N9 N 0.3007(5) 0.9942(5) 0.5780(4) 0.0363(11) Uani 1 1 d . . .
C11 C 0.1966(6) 0.9760(6) 0.4861(5) 0.0356(13) Uani 1 1 d . . .
N10 N 0.3332(5) 1.2007(5) 0.5321(5) 0.0418(12) Uani 1 1 d . . .
N5 N 0.1542(5) 0.8346(6) 0.7916(5) 0.0424(12) Uani 1 1 d . . .
N11 N 0.2120(5) 1.0975(5) 0.4565(5) 0.0387(11) Uani 1 1 d . . .
C5 C -0.0367(6) 0.8191(6) 0.8882(5) 0.0364(13) Uani 1 1 d . . .
N2 N -0.2339(5) 0.8884(6) 0.8408(5) 0.0416(12) Uani 1 1 d . . .
C10 C 0.3844(6) 1.1363(6) 0.6037(5) 0.0365(13) Uani 1 1 d . . .
N8 N 0.5800(6) 1.3640(6) 0.6894(5) 0.0553(14) Uani 1 1 d . . .
N4 N 0.1654(5) 0.7802(6) 0.8836(5) 0.0479(13) Uani 1 1 d . . .
N3 N 0.0473(6) 0.7677(6) 0.9454(5) 0.0485(13) Uani 1 1 d . . .
N7 N 0.5844(6) 1.1563(6) 0.7493(5) 0.0538(14) Uani 1 1 d . . .
C4 C -0.1820(6) 0.8262(6) 0.9129(5) 0.0386(13) Uani 1 1 d . . .
N1 N -0.2522(6) 0.7659(7) 0.9959(6) 0.0615(16) Uani 1 1 d . . .
C3 C -0.3702(7) 0.8863(7) 0.8532(6) 0.0509(16) Uani 1 1 d . . .
H3 H -0.4113 0.9267 0.8037 0.061 Uiso 1 1 calc R . .
C6 C 0.5231(7) 1.2201(7) 0.6854(6) 0.0467(15) Uani 1 1 d . . .
C2 C -0.4524(8) 0.8280(9) 0.9346(7) 0.064(2) Uani 1 1 d . . .
H2 H -0.5474 0.8285 0.9425 0.077 Uiso 1 1 calc R . .
C9 C 0.7048(9) 1.4452(9) 0.7645(8) 0.068(2) Uani 1 1 d . . .
H9 H 0.7492 1.5430 0.7686 0.082 Uiso 1 1 calc R . .
C1 C -0.3873(8) 0.7676(10) 1.0054(8) 0.073(2) Uani 1 1 d . . .
H1 H -0.4409 0.7265 1.0620 0.088 Uiso 1 1 calc R . .
N13 N 0.0090(5) 0.8417(6) 0.3117(5) 0.0422(12) Uani 1 1 d . . .
N12 N 0.0626(5) 0.7203(6) 0.4498(5) 0.0428(12) Uani 1 1 d . . .
C12 C 0.0819(6) 0.8380(6) 0.4135(5) 0.0365(13) Uani 1 1 d . . .
C13 C -0.0410(7) 0.5946(8) 0.3763(7) 0.0529(17) Uani 1 1 d . . .
H13 H -0.0579 0.5094 0.3977 0.064 Uiso 1 1 calc R . .
C15 C -0.0967(7) 0.7142(8) 0.2402(6) 0.0492(16) Uani 1 1 d . . .
H15 H -0.1519 0.7128 0.1700 0.059 Uiso 1 1 calc R . .
C14 C -0.1237(7) 0.5873(8) 0.2696(7) 0.0563(17) Uani 1 1 d . . .
H14 H -0.1951 0.4992 0.2197 0.068 Uiso 1 1 calc R . .
C7 C 0.7087(7) 1.2447(9) 0.8254(7) 0.0581(19) Uani 1 1 d . . .
H7 H 0.7545 1.2054 0.8725 0.070 Uiso 1 1 calc R . .
N14 N 0.3622(5) 0.6845(6) 0.6178(5) 0.0464(13) Uani 1 1 d . . .
C16 C 0.4006(7) 0.5871(7) 0.5966(6) 0.0450(15) 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'
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
N14 Cu1 N9 133.8(2) . . ?
N14 Cu1 N5 112.3(2) . . ?
N9 Cu1 N5 113.79(19) . . ?
C16 Cu2 N10 135.1(2) 1_565 . ?
C16 Cu2 N8 129.9(3) 1_565 . ?
N10 Cu2 N8 79.2(2) . . ?
C16 Cu2 C16 106.3(2) 1_565 2_676 ?
N10 Cu2 C16 101.9(2) . 2_676 ?
N8 Cu2 C16 96.5(2) . 2_676 ?
C16 Cu2 Cu2 61.77(19) 1_565 2_686 ?
N10 Cu2 Cu2 135.10(16) . 2_686 ?
N8 Cu2 Cu2 124.95(17) . 2_686 ?
C16 Cu2 Cu2 44.58(15) 2_676 2_686 ?
N6 Cu3 N11 144.5(2) 2_576 . ?
N6 Cu3 N13 127.49(19) 2_576 . ?
N11 Cu3 N13 80.79(19) . . ?
N6 Cu3 N2 79.94(18) 2_576 2_576 ?
N11 Cu3 N2 105.54(18) . 2_576 ?
N13 Cu3 N2 120.33(19) . 2_576 ?
C7 C8 C9 117.6(7) . . ?
C7 C8 H8 121.2 . . ?
C9 C8 H8 121.2 . . ?
C5 N6 N5 105.3(4) . . ?
C5 N6 Cu3 115.4(4) . 2_576 ?
N5 N6 Cu3 139.2(4) . 2_576 ?
C10 N9 C11 101.6(4) . . ?
C10 N9 Cu1 138.7(4) . . ?
C11 N9 Cu1 119.1(4) . . ?
N11 C11 N9 114.1(5) . . ?
N11 C11 C12 119.6(5) . . ?
N9 C11 C12 126.1(5) . . ?
N11 N10 C10 107.2(4) . . ?
N11 N10 Cu2 137.9(3) . . ?
C10 N10 Cu2 114.9(4) . . ?
N4 N5 N6 108.3(4) . . ?
N4 N5 Cu1 125.5(4) . . ?
N6 N5 Cu1 124.7(3) . . ?
C11 N11 N10 104.9(4) . . ?
C11 N11 Cu3 112.8(4) . . ?
N10 N11 Cu3 140.4(4) . . ?
N6 C5 N3 111.0(5) . . ?
N6 C5 C4 119.9(5) . . ?
N3 C5 C4 129.0(5) . . ?
C3 N2 C4 115.6(5) . . ?
C3 N2 Cu3 133.0(4) . 2_576 ?
C4 N2 Cu3 110.7(4) . 2_576 ?
N9 C10 N10 112.2(5) . . ?
N9 C10 C6 129.1(5) . . ?
N10 C10 C6 118.4(5) . . ?
C9 N8 C6 116.0(6) . . ?
C9 N8 Cu2 130.9(5) . . ?
C6 N8 Cu2 113.1(4) . . ?
N5 N4 N3 110.4(4) . . ?
N4 N3 C5 104.9(5) . . ?
C7 N7 C6 115.3(6) . . ?
N1 C4 N2 126.6(5) . . ?
N1 C4 C5 119.4(5) . . ?
N2 C4 C5 113.8(5) . . ?
C1 N1 C4 115.4(6) . . ?
N2 C3 C2 123.1(6) . . ?
N2 C3 H3 118.5 . . ?
C2 C3 H3 118.5 . . ?
N7 C6 N8 125.8(6) . . ?
N7 C6 C10 120.3(6) . . ?
N8 C6 C10 113.9(5) . . ?
C3 C2 C1 116.5(7) . . ?
C3 C2 H2 121.8 . . ?
C1 C2 H2 121.8 . . ?
N8 C9 C8 121.8(7) . . ?
N8 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
N1 C1 C2 122.8(7) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C12 N13 C15 116.8(5) . . ?
C12 N13 Cu3 111.3(4) . . ?
C15 N13 Cu3 131.8(4) . . ?
C12 N12 C13 115.8(5) . . ?
N12 C12 N13 126.3(6) . . ?
N12 C12 C11 118.5(5) . . ?
N13 C12 C11 115.2(5) . . ?
N12 C13 C14 122.3(6) . . ?
N12 C13 H13 118.8 . . ?
C14 C13 H13 118.8 . . ?
N13 C15 C14 121.0(6) . . ?
N13 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C15 C14 C13 117.7(6) . . ?
C15 C14 H14 121.2 . . ?
C13 C14 H14 121.2 . . ?
N7 C7 C8 123.5(7) . . ?
N7 C7 H7 118.3 . . ?
C8 C7 H7 118.3 . . ?
C16 N14 Cu1 174.6(5) . . ?
N14 C16 Cu2 174.5(5) . 1_545 ?
N14 C16 Cu2 111.4(5) . 2_676 ?
Cu2 C16 Cu2 73.7(2) 1_545 2_676 ?
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 N14 1.893(5) . ?
Cu1 N9 1.963(4) . ?
Cu1 N5 2.028(5) . ?
Cu2 C16 1.885(6) 1_565 ?
Cu2 N10 2.018(5) . ?
Cu2 N8 2.126(5) . ?
Cu2 C16 2.367(6) 2_676 ?
Cu2 Cu2 2.5776(16) 2_686 ?
Cu3 N6 1.955(4) 2_576 ?
Cu3 N11 2.010(5) . ?
Cu3 N13 2.129(5) . ?
Cu3 N2 2.199(5) 2_576 ?
C8 C7 1.351(10) . ?
C8 C9 1.390(11) . ?
C8 H8 0.9300 . ?
N6 C5 1.338(7) . ?
N6 N5 1.357(6) . ?
N6 Cu3 1.955(4) 2_576 ?
N9 C10 1.340(7) . ?
N9 C11 1.347(7) . ?
C11 N11 1.335(6) . ?
C11 C12 1.452(8) . ?
N10 N11 1.342(7) . ?
N10 C10 1.348(7) . ?
N5 N4 1.316(6) . ?
C5 N3 1.342(7) . ?
C5 C4 1.463(8) . ?
N2 C3 1.326(7) . ?
N2 C4 1.339(7) . ?
N2 Cu3 2.199(5) 2_576 ?
C10 C6 1.443(8) . ?
N8 C9 1.313(9) . ?
N8 C6 1.369(8) . ?
N4 N3 1.337(7) . ?
N7 C7 1.327(8) . ?
N7 C6 1.339(8) . ?
C4 N1 1.332(8) . ?
N1 C1 1.322(8) . ?
C3 C2 1.356(10) . ?
C3 H3 0.9300 . ?
C2 C1 1.386(10) . ?
C2 H2 0.9300 . ?
C9 H9 0.9300 . ?
C1 H1 0.9300 . ?
N13 C12 1.337(7) . ?
N13 C15 1.354(8) . ?
N12 C12 1.332(7) . ?
N12 C13 1.342(8) . ?
C13 C14 1.385(9) . ?
C13 H13 0.9300 . ?
C15 C14 1.369(9) . ?
C15 H15 0.9300 . ?
C14 H14 0.9300 . ?
C7 H7 0.9300 . ?
N14 C16 1.135(7) . ?
C16 Cu2 1.885(6) 1_545 ?
C16 Cu2 2.367(6) 2_676 ?
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
N14 Cu1 N9 C10 -91.3(6) . . . . ?
N5 Cu1 N9 C10 83.6(6) . . . . ?
N14 Cu1 N9 C11 99.4(5) . . . . ?
N5 Cu1 N9 C11 -85.7(4) . . . . ?
C10 N9 C11 N11 -0.6(6) . . . . ?
Cu1 N9 C11 N11 172.2(4) . . . . ?
C10 N9 C11 C12 174.3(5) . . . . ?
Cu1 N9 C11 C12 -12.9(7) . . . . ?
C16 Cu2 N10 N11 45.1(7) 1_565 . . . ?
N8 Cu2 N10 N11 -177.7(6) . . . . ?
C16 Cu2 N10 N11 -83.2(6) 2_676 . . . ?
Cu2 Cu2 N10 N11 -48.2(6) 2_686 . . . ?
C16 Cu2 N10 C10 -132.5(4) 1_565 . . . ?
N8 Cu2 N10 C10 4.7(4) . . . . ?
C16 Cu2 N10 C10 99.2(4) 2_676 . . . ?
Cu2 Cu2 N10 C10 134.2(4) 2_686 . . . ?
C5 N6 N5 N4 -0.1(6) . . . . ?
Cu3 N6 N5 N4 177.0(5) 2_576 . . . ?
C5 N6 N5 Cu1 166.6(4) . . . . ?
Cu3 N6 N5 Cu1 -16.3(8) 2_576 . . . ?
N14 Cu1 N5 N4 22.9(6) . . . . ?
N9 Cu1 N5 N4 -153.1(5) . . . . ?
N14 Cu1 N5 N6 -141.5(4) . . . . ?
N9 Cu1 N5 N6 42.5(5) . . . . ?
N9 C11 N11 N10 0.5(6) . . . . ?
C12 C11 N11 N10 -174.7(5) . . . . ?
N9 C11 N11 Cu3 168.0(4) . . . . ?
C12 C11 N11 Cu3 -7.2(6) . . . . ?
C10 N10 N11 C11 -0.2(6) . . . . ?
Cu2 N10 N11 C11 -177.9(5) . . . . ?
C10 N10 N11 Cu3 -161.9(5) . . . . ?
Cu2 N10 N11 Cu3 20.4(10) . . . . ?
N6 Cu3 N11 C11 150.7(4) 2_576 . . . ?
N13 Cu3 N11 C11 4.2(4) . . . . ?
N2 Cu3 N11 C11 -114.8(4) 2_576 . . . ?
N6 Cu3 N11 N10 -48.5(7) 2_576 . . . ?
N13 Cu3 N11 N10 165.0(6) . . . . ?
N2 Cu3 N11 N10 46.0(6) 2_576 . . . ?
N5 N6 C5 N3 -0.4(7) . . . . ?
Cu3 N6 C5 N3 -178.3(4) 2_576 . . . ?
N5 N6 C5 C4 -177.2(5) . . . . ?
Cu3 N6 C5 C4 4.9(7) 2_576 . . . ?
C11 N9 C10 N10 0.4(6) . . . . ?
Cu1 N9 C10 N10 -170.0(4) . . . . ?
C11 N9 C10 C6 -173.2(6) . . . . ?
Cu1 N9 C10 C6 16.4(10) . . . . ?
N11 N10 C10 N9 -0.2(6) . . . . ?
Cu2 N10 C10 N9 178.1(4) . . . . ?
N11 N10 C10 C6 174.2(5) . . . . ?
Cu2 N10 C10 C6 -7.5(7) . . . . ?
C16 Cu2 N8 C9 -40.8(8) 1_565 . . . ?
N10 Cu2 N8 C9 177.8(7) . . . . ?
C16 Cu2 N8 C9 76.8(7) 2_676 . . . ?
Cu2 Cu2 N8 C9 39.5(7) 2_686 . . . ?
C16 Cu2 N8 C6 140.0(4) 1_565 . . . ?
N10 Cu2 N8 C6 -1.4(4) . . . . ?
C16 Cu2 N8 C6 -102.4(5) 2_676 . . . ?
Cu2 Cu2 N8 C6 -139.7(4) 2_686 . . . ?
N6 N5 N4 N3 0.6(7) . . . . ?
Cu1 N5 N4 N3 -166.0(4) . . . . ?
N5 N4 N3 C5 -0.9(7) . . . . ?
N6 C5 N3 N4 0.8(7) . . . . ?
C4 C5 N3 N4 177.2(6) . . . . ?
C3 N2 C4 N1 -1.3(10) . . . . ?
Cu3 N2 C4 N1 -172.5(6) 2_576 . . . ?
C3 N2 C4 C5 174.9(5) . . . . ?
Cu3 N2 C4 C5 3.6(6) 2_576 . . . ?
N6 C5 C4 N1 170.7(6) . . . . ?
N3 C5 C4 N1 -5.5(10) . . . . ?
N6 C5 C4 N2 -5.8(8) . . . . ?
N3 C5 C4 N2 178.1(6) . . . . ?
N2 C4 N1 C1 0.8(11) . . . . ?
C5 C4 N1 C1 -175.2(7) . . . . ?
C4 N2 C3 C2 1.2(10) . . . . ?
Cu3 N2 C3 C2 170.0(6) 2_576 . . . ?
C7 N7 C6 N8 2.2(10) . . . . ?
C7 N7 C6 C10 -177.5(6) . . . . ?
C9 N8 C6 N7 -1.0(10) . . . . ?
Cu2 N8 C6 N7 178.4(5) . . . . ?
C9 N8 C6 C10 178.8(6) . . . . ?
Cu2 N8 C6 C10 -1.9(7) . . . . ?
N9 C10 C6 N7 -0.8(10) . . . . ?
N10 C10 C6 N7 -174.0(5) . . . . ?
N9 C10 C6 N8 179.5(6) . . . . ?
N10 C10 C6 N8 6.2(8) . . . . ?
N2 C3 C2 C1 -0.7(12) . . . . ?
C6 N8 C9 C8 -1.7(11) . . . . ?
Cu2 N8 C9 C8 179.1(6) . . . . ?
C7 C8 C9 N8 3.0(12) . . . . ?
C4 N1 C1 C2 -0.2(13) . . . . ?
C3 C2 C1 N1 0.1(14) . . . . ?
N6 Cu3 N13 C12 -156.9(4) 2_576 . . . ?
N11 Cu3 N13 C12 -0.8(4) . . . . ?
N2 Cu3 N13 C12 101.9(4) 2_576 . . . ?
N6 Cu3 N13 C15 21.5(6) 2_576 . . . ?
N11 Cu3 N13 C15 177.7(6) . . . . ?
N2 Cu3 N13 C15 -79.6(6) 2_576 . . . ?
C13 N12 C12 N13 -0.4(9) . . . . ?
C13 N12 C12 C11 -177.5(5) . . . . ?
C15 N13 C12 N12 1.5(9) . . . . ?
Cu3 N13 C12 N12 -179.8(5) . . . . ?
C15 N13 C12 C11 178.7(5) . . . . ?
Cu3 N13 C12 C11 -2.6(6) . . . . ?
N11 C11 C12 N12 -175.8(5) . . . . ?
N9 C11 C12 N12 9.6(8) . . . . ?
N11 C11 C12 N13 6.7(7) . . . . ?
N9 C11 C12 N13 -167.8(5) . . . . ?
C12 N12 C13 C14 -0.4(10) . . . . ?
C12 N13 C15 C14 -1.8(9) . . . . ?
Cu3 N13 C15 C14 179.8(5) . . . . ?
N13 C15 C14 C13 1.2(10) . . . . ?
N12 C13 C14 C15 0.0(10) . . . . ?
C6 N7 C7 C8 -0.8(10) . . . . ?
C9 C8 C7 N7 -1.6(12) . . . . ?
N9 Cu1 N14 C16 -117(6) . . . . ?
N5 Cu1 N14 C16 68(6) . . . . ?
Cu1 N14 C16 Cu2 -43(11) . . . 1_545 ?
Cu1 N14 C16 Cu2 115(6) . . . 2_676 ?
