#------------------------------------------------------------------------------
#$Date: 2019-04-18 01:25:55 +0300 (Thu, 18 Apr 2019) $
#$Revision: 214673 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/09/1550905.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_1550905
loop_
_publ_author_name
'Fang, Yang'
'Sojdak, Christopher A.'
'Dey, Gangotri'
'Teat, Simon'
'Li, Mingxing'
'Cotlet, Mircea'
'Zhu, Kun'
'Liu, Wei'
'Wang, Lu'
'O'Carroll, Deirdre'
'Li, Jing'
_publ_section_title
;
 Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on
 Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/C9SC00970A
_journal_year                    2019
_chemical_formula_sum            'C18 H27 Cu3 I3 N6'
_chemical_formula_weight         898.77
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2019-01-05 deposited with the CCDC.    2019-04-17 downloaded from the CCDC.
;
_cell_angle_alpha                106.811(3)
_cell_angle_beta                 90.123(3)
_cell_angle_gamma                101.770(3)
_cell_formula_units_Z            2
_cell_length_a                   10.2612(5)
_cell_length_b                   10.7326(6)
_cell_length_c                   11.8422(7)
_cell_measurement_reflns_used    9857
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.6651
_cell_measurement_theta_min      2.4857
_cell_volume                     1219.59(12)
_computing_cell_refinement       'Bruker SAINT v8.38a'
_computing_data_collection       'Bruker APEX 3'
_computing_data_reduction        'Bruker SAINT v8.38a'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL & local programs'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.42
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 with PHOTON 100 detector'
_diffrn_measurement_method       'ω/θ shutterless scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7749
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_unetI/netI     0.0391
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            37159
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        27.706
_diffrn_reflns_theta_max         33.676
_diffrn_reflns_theta_min         2.486
_diffrn_source                   'Advanced Light Source station 11.3.1'
_exptl_absorpt_coefficient_mu    8.038
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2 Bruker AXS Madison WI USA'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.447
_exptl_crystal_description       block
_exptl_crystal_F_000             846
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.888
_refine_diff_density_min         -0.967
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         7336
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0226P)²+2.3172P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0602
_refine_ls_wR_factor_ref         0.0635
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6378
_reflns_number_total             7336
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9sc00970a2.cif
_cod_data_source_block           twin5
_cod_original_cell_volume        1219.58(12)
_cod_database_code               1550905
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.644
_shelx_estimated_absorpt_t_max   0.856
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Cu1 Cu 0.70560(5) 0.40171(5) 0.20542(5) 0.01467(10) Uani 1 1 d . .
Cu2 Cu 0.91797(5) 0.51172(5) 0.39694(5) 0.01689(11) Uani 1 1 d . .
Cu3 Cu 0.83484(5) 0.24341(5) 0.26338(5) 0.01515(10) Uani 1 1 d . .
I1 I 0.96149(2) 0.43896(3) 0.16782(2) 0.01277(5) Uani 1 1 d . .
I2 I 0.57537(2) 0.16647(3) 0.18701(3) 0.01625(6) Uani 1 1 d . .
I3 I 0.84838(3) 0.32099(3) 0.49813(2) 0.01393(6) Uani 1 1 d . .
C1 C 0.4892(4) 0.5430(4) 0.1730(4) 0.0120(7) Uani 1 1 d . .
N1 N 0.6170(3) 0.5335(3) 0.1684(3) 0.0121(6) Uani 1 1 d . .
C2 C 0.6785(4) 0.6249(4) 0.1131(4) 0.0164(8) Uani 1 1 d . .
H2 H 0.770319 0.640734 0.097742 0.020 Uiso 1 1 calc R U
C3 C 0.5876(4) 0.6889(4) 0.0839(4) 0.0162(8) Uani 1 1 d . .
H3 H 0.603495 0.756731 0.045813 0.019 Uiso 1 1 calc R U
N2 N 0.4676(3) 0.6349(3) 0.1212(3) 0.0141(7) Uani 1 1 d . .
C4 C 0.3830(4) 0.4649(4) 0.2250(4) 0.0185(9) Uani 1 1 d . .
H4A H 0.419522 0.400548 0.252581 0.028 Uiso 1 1 calc R U
H4B H 0.309874 0.417268 0.164912 0.028 Uiso 1 1 calc R U
H4C H 0.349274 0.525221 0.291729 0.028 Uiso 1 1 calc R U
C5 C 0.3420(4) 0.6769(4) 0.1102(4) 0.0147(8) Uani 1 1 d . .
H5A H 0.265880 0.601438 0.104680 0.018 Uiso 1 1 calc R U
H5B H 0.338393 0.703508 0.037129 0.018 Uiso 1 1 calc R U
C6 C 0.3310(4) 0.7934(4) 0.2168(4) 0.0168(8) Uani 1 1 d . .
H6A H 0.404104 0.870229 0.218658 0.020 Uiso 1 1 calc R U
H6B H 0.342269 0.768383 0.289813 0.020 Uiso 1 1 calc R U
C7 C 0.1974(4) 0.8355(4) 0.2152(4) 0.0168(8) Uani 1 1 d . .
H7A H 0.124444 0.755352 0.200125 0.020 Uiso 1 1 calc R U
H7B H 0.187457 0.895616 0.294219 0.020 Uiso 1 1 calc R U
C8 C 0.1826(4) 0.9059(4) 0.1227(4) 0.0142(8) Uani 1 1 d . .
H8A H 0.259875 0.981215 0.132462 0.017 Uiso 1 1 calc R U
H8B H 0.182405 0.842972 0.042803 0.017 Uiso 1 1 calc R U
N3 N 0.0595(3) 0.9558(3) 0.1327(3) 0.0128(6) Uani 1 1 d . .
C9 C 0.0414(4) 1.0736(4) 0.2033(4) 0.0133(8) Uani 1 1 d . .
N4 N -0.0839(3) 1.0861(3) 0.1914(3) 0.0136(7) Uani 1 1 d . .
C10 C -0.1490(4) 0.9690(4) 0.1091(4) 0.0137(8) Uani 1 1 d . .
H10 H -0.240391 0.948588 0.082461 0.016 Uiso 1 1 calc R U
C11 C -0.0615(4) 0.8877(4) 0.0722(4) 0.0136(8) Uani 1 1 d . .
H11 H -0.079926 0.801645 0.016210 0.016 Uiso 1 1 calc R U
C12 C 0.1493(4) 1.1766(4) 0.2817(4) 0.0183(9) Uani 1 1 d . .
H12A H 0.114622 1.255852 0.320639 0.028 Uiso 1 1 calc R U
H12B H 0.223305 1.200550 0.234509 0.028 Uiso 1 1 calc R U
H12C H 0.181121 1.141194 0.341670 0.028 Uiso 1 1 calc R U
N5 N 0.7799(3) 0.6235(3) 0.4293(3) 0.0130(6) Uani 1 1 d . .
C13 C 0.7808(4) 0.7391(4) 0.4096(4) 0.0143(8) Uani 1 1 d . .
N6 N 0.6675(3) 0.7812(3) 0.4452(3) 0.0129(7) Uani 1 1 d . .
C14 C 0.6609(4) 0.5901(4) 0.4785(4) 0.0151(8) Uani 1 1 d . .
H14 H 0.632401 0.511272 0.500977 0.018 Uiso 1 1 calc R U
C15 C 0.5911(4) 0.6866(4) 0.4900(4) 0.0164(8) Uani 1 1 d . .
H15 H 0.506632 0.689047 0.522206 0.020 Uiso 1 1 calc R U
C16 C 0.8892(4) 0.8165(4) 0.3594(4) 0.0184(9) Uani 1 1 d . .
H16A H 0.939220 0.891948 0.422810 0.028 Uiso 1 1 calc R U
H16B H 0.850692 0.849743 0.300956 0.028 Uiso 1 1 calc R U
H16C H 0.949284 0.759117 0.321104 0.028 Uiso 1 1 calc R U
C17 C 0.6325(4) 0.9023(4) 0.4342(4) 0.0166(8) Uani 1 1 d . .
H17A H 0.609167 0.890479 0.350028 0.020 Uiso 1 1 calc R U
H17B H 0.710908 0.977172 0.460565 0.020 Uiso 1 1 calc R U
C18 C 0.5172(4) 0.9365(4) 0.5061(4) 0.0160(8) Uani 1 1 d . .
H18A H 0.540129 0.948134 0.590294 0.019 Uiso 1 1 calc R U
H18B H 0.438366 0.862103 0.479433 0.019 Uiso 1 1 calc R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0040 0.0020
'XDISP Program in WinGX S.Brennan & P.L.Cowan Rev.Sci.Instrum.63,850 1992'
H H 0.0000 0.0000
'XDISP Program in WinGX S.Brennan & P.L.Cowan Rev.Sci.Instrum.63,850 1992'
N N 0.0076 0.0040
'XDISP Program in WinGX S.Brennan & P.L.Cowan Rev.Sci.Instrum.63,850 1992'
Cu Cu 0.2913 1.4803
'XDISP Program in WinGX S.Brennan & P.L.Cowan Rev.Sci.Instrum.63,850 1992'
I I -0.3071 2.1212
'XDISP Program in WinGX S.Brennan & P.L.Cowan Rev.Sci.Instrum.63,850 1992'
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
N1 Cu1 I2 120.75(10) . .
N1 Cu1 Cu3 175.79(10) . .
I2 Cu1 Cu3 63.154(18) . .
N1 Cu1 I1 113.52(10) . .
I2 Cu1 I1 119.02(2) . .
Cu3 Cu1 I1 63.911(17) . .
N1 Cu1 Cu2 115.31(10) . .
I2 Cu1 Cu2 115.26(2) . .
Cu3 Cu1 Cu2 60.562(19) . .
I1 Cu1 Cu2 56.723(15) . .
N5 Cu2 I3 107.46(10) . .
N5 Cu2 I1 111.11(10) . .
I3 Cu2 I1 117.45(2) . .
N5 Cu2 I3 105.49(10) . 2_766
I3 Cu2 I3 110.53(2) . 2_766
I1 Cu2 I3 104.188(19) . 2_766
N5 Cu2 Cu3 117.64(10) . .
I3 Cu2 Cu3 58.279(17) . .
I1 Cu2 Cu3 60.639(17) . .
I3 Cu2 Cu3 136.86(2) 2_766 .
N5 Cu2 Cu1 71.16(10) . .
I3 Cu2 Cu1 95.60(2) . .
I1 Cu2 Cu1 55.738(16) . .
I3 Cu2 Cu1 153.08(2) 2_766 .
Cu3 Cu2 Cu1 53.461(18) . .
N4 Cu3 Cu1 141.35(10) 1_645 .
N4 Cu3 I3 114.34(10) 1_645 .
Cu1 Cu3 I3 104.25(2) . .
N4 Cu3 I2 105.92(10) 1_645 .
Cu1 Cu3 I2 57.738(17) . .
I3 Cu3 I2 107.90(2) . .
N4 Cu3 I1 105.03(10) 1_645 .
Cu1 Cu3 I1 58.804(17) . .
I3 Cu3 I1 113.44(2) . .
I2 Cu3 I1 109.92(2) . .
N4 Cu3 Cu2 138.50(10) 1_645 .
Cu1 Cu3 Cu2 65.98(2) . .
I3 Cu3 Cu2 57.687(17) . .
I2 Cu3 Cu2 115.30(2) . .
I1 Cu3 Cu2 57.108(17) . .
Cu1 I1 Cu2 67.539(18) . .
Cu1 I1 Cu3 57.284(16) . .
Cu2 I1 Cu3 62.253(17) . .
Cu1 I2 Cu3 59.107(17) . .
Cu2 I3 Cu3 64.034(18) . .
Cu2 I3 Cu2 69.47(2) . 2_766
Cu3 I3 Cu2 115.017(19) . 2_766
N1 C1 N2 110.2(3) . .
N1 C1 C4 126.3(4) . .
N2 C1 C4 123.4(3) . .
C1 N1 C2 106.1(3) . .
C1 N1 Cu1 130.1(3) . .
C2 N1 Cu1 123.1(3) . .
C3 C2 N1 109.7(4) . .
C3 C2 H2 125.1 . .
N1 C2 H2 125.1 . .
C2 C3 N2 105.9(4) . .
C2 C3 H3 127.1 . .
N2 C3 H3 127.1 . .
C1 N2 C3 108.0(3) . .
C1 N2 C5 127.2(4) . .
C3 N2 C5 124.7(4) . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N2 C5 C6 110.2(3) . .
N2 C5 H5A 109.6 . .
C6 C5 H5A 109.6 . .
N2 C5 H5B 109.6 . .
C6 C5 H5B 109.6 . .
H5A C5 H5B 108.1 . .
C5 C6 C7 112.8(3) . .
C5 C6 H6A 109.0 . .
C7 C6 H6A 109.0 . .
C5 C6 H6B 109.0 . .
C7 C6 H6B 109.0 . .
H6A C6 H6B 107.8 . .
C8 C7 C6 113.8(3) . .
C8 C7 H7A 108.8 . .
C6 C7 H7A 108.8 . .
C8 C7 H7B 108.8 . .
C6 C7 H7B 108.8 . .
H7A C7 H7B 107.7 . .
N3 C8 C7 111.6(3) . .
N3 C8 H8A 109.3 . .
C7 C8 H8A 109.3 . .
N3 C8 H8B 109.3 . .
C7 C8 H8B 109.3 . .
H8A C8 H8B 108.0 . .
C9 N3 C11 107.5(3) . .
C9 N3 C8 127.0(3) . .
C11 N3 C8 125.5(3) . .
N4 C9 N3 111.2(4) . .
N4 C9 C12 125.0(4) . .
N3 C9 C12 123.8(4) . .
C9 N4 C10 105.7(3) . .
C9 N4 Cu3 129.1(3) . 1_465
C10 N4 Cu3 125.0(3) . 1_465
C11 C10 N4 109.5(3) . .
C11 C10 H10 125.3 . .
N4 C10 H10 125.3 . .
C10 C11 N3 106.1(3) . .
C10 C11 H11 126.9 . .
N3 C11 H11 126.9 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C13 N5 C14 106.4(3) . .
C13 N5 Cu2 129.4(3) . .
C14 N5 Cu2 124.3(3) . .
N5 C13 N6 110.3(4) . .
N5 C13 C16 126.5(4) . .
N6 C13 C16 123.2(4) . .
C13 N6 C15 107.5(3) . .
C13 N6 C17 125.5(3) . .
C15 N6 C17 126.9(3) . .
C15 C14 N5 109.7(4) . .
C15 C14 H14 125.2 . .
N5 C14 H14 125.2 . .
C14 C15 N6 106.1(4) . .
C14 C15 H15 126.9 . .
N6 C15 H15 126.9 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N6 C17 C18 112.1(3) . .
N6 C17 H17A 109.2 . .
C18 C17 H17A 109.2 . .
N6 C17 H17B 109.2 . .
C18 C17 H17B 109.2 . .
H17A C17 H17B 107.9 . .
C17 C18 C18 111.2(4) . 2_676
C17 C18 H18A 109.4 . .
C18 C18 H18A 109.4 2_676 .
C17 C18 H18B 109.4 . .
C18 C18 H18B 109.4 2_676 .
H18A C18 H18B 108.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 1.975(3) .
Cu1 I2 2.5519(6) .
Cu1 Cu3 2.5896(7) .
Cu1 I1 2.6328(6) .
Cu1 Cu2 2.9440(8) .
Cu2 N5 2.006(3) .
Cu2 I3 2.6387(6) .
Cu2 I1 2.6633(6) .
Cu2 I3 2.7306(6) 2_766
Cu2 Cu3 2.8070(8) .
Cu3 N4 2.005(3) 1_645
Cu3 I3 2.6558(6) .
Cu3 I2 2.6925(6) .
Cu3 I1 2.7643(6) .
C1 N1 1.336(5) .
C1 N2 1.356(5) .
C1 C4 1.482(6) .
N1 C2 1.382(5) .
C2 C3 1.364(6) .
C2 H2 0.9500 .
C3 N2 1.380(5) .
C3 H3 0.9500 .
N2 C5 1.467(5) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C6 1.522(6) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.529(6) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.523(6) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 N3 1.461(5) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
N3 C9 1.348(5) .
N3 C11 1.383(5) .
C9 N4 1.331(5) .
C9 C12 1.487(6) .
N4 C10 1.386(5) .
C10 C11 1.363(5) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
N5 C13 1.325(5) .
N5 C14 1.380(5) .
C13 N6 1.357(5) .
C13 C16 1.481(6) .
N6 C15 1.383(5) .
N6 C17 1.457(5) .
C14 C15 1.351(6) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.504(5) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C18 1.521(8) 2_676
C18 H18A 0.9900 .
C18 H18B 0.9900 .
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_4
N2 C1 N1 C2 1.0(5) . .
C4 C1 N1 C2 -179.8(4) . .
N2 C1 N1 Cu1 -169.7(3) . .
C4 C1 N1 Cu1 9.6(6) . .
C1 N1 C2 C3 -0.3(5) . .
Cu1 N1 C2 C3 171.2(3) . .
N1 C2 C3 N2 -0.5(5) . .
N1 C1 N2 C3 -1.3(5) . .
C4 C1 N2 C3 179.4(4) . .
N1 C1 N2 C5 -178.6(4) . .
C4 C1 N2 C5 2.1(6) . .
C2 C3 N2 C1 1.1(5) . .
C2 C3 N2 C5 178.4(4) . .
C1 N2 C5 C6 89.9(5) . .
C3 N2 C5 C6 -87.0(5) . .
N2 C5 C6 C7 -175.8(3) . .
C5 C6 C7 C8 -72.0(5) . .
C6 C7 C8 N3 -174.2(3) . .
C7 C8 N3 C9 86.2(5) . .
C7 C8 N3 C11 -92.3(5) . .
C11 N3 C9 N4 -0.4(5) . .
C8 N3 C9 N4 -179.1(4) . .
C11 N3 C9 C12 -179.1(4) . .
C8 N3 C9 C12 2.3(7) . .
N3 C9 N4 C10 0.4(5) . .
C12 C9 N4 C10 179.0(4) . .
N3 C9 N4 Cu3 -174.8(3) . 1_465
C12 C9 N4 Cu3 3.9(6) . 1_465
C9 N4 C10 C11 -0.2(5) . .
Cu3 N4 C10 C11 175.2(3) 1_465 .
N4 C10 C11 N3 -0.1(5) . .
C9 N3 C11 C10 0.3(5) . .
C8 N3 C11 C10 178.9(4) . .
C14 N5 C13 N6 0.4(5) . .
Cu2 N5 C13 N6 -179.7(3) . .
C14 N5 C13 C16 178.9(4) . .
Cu2 N5 C13 C16 -1.2(6) . .
N5 C13 N6 C15 0.1(5) . .
C16 C13 N6 C15 -178.4(4) . .
N5 C13 N6 C17 -178.2(4) . .
C16 C13 N6 C17 3.3(6) . .
C13 N5 C14 C15 -0.8(5) . .
Cu2 N5 C14 C15 179.3(3) . .
N5 C14 C15 N6 0.9(5) . .
C13 N6 C15 C14 -0.6(5) . .
C17 N6 C15 C14 177.7(4) . .
C13 N6 C17 C18 -166.9(4) . .
C15 N6 C17 C18 15.1(6) . .
N6 C17 C18 C18 179.7(4) . 2_676
