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#$Date: 2016-03-23 16:09:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179364 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/61/4326112.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_4326112
loop_
_publ_author_name
'Vincent J. Catalano'
'Lyndsay B. Munro'
'Christoph E. Strasser'
'Ahmad F. Samin'
_publ_contact_author_address
;
Department of Chemistry
University of Nevada
Reno, NV  89557
;
_publ_contact_author_email       vjc@unr.edu
_publ_contact_author_name        'Professor Vincent J. Catalano'
_publ_contact_author_phone       '775 784 1329'
_publ_section_title
;
 Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely
 Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8465
_journal_page_last               8476
_journal_paper_doi               10.1021/ic201053t
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C45 H48 Cu3 N12, 3(B F4), 3(C2 H3 N)'
_chemical_formula_sum            'C51 H57 B3 Cu3 F12 N15'
_chemical_formula_weight         1331.2
_chemical_name_common
;
Tris{η³-μ-1,3-bis[(3,4-dimethoxy-2-pyridyl)methyl]-4,5-
dihydroimidazol-2-ylidene}tricopper(I) tetrafluoroborate
 ethanenitrile trisolvate
;
_chemical_name_systematic
; 
Triangulo-tris{η³-μ₂-1,3-bis[(2-pyridyl-\kN)methyl]-4,5-didydro-
2H-imidazol-2-ylidene-\kC}tricopper(I) 3(Cu---Cu) tetrafluoroborate
 ethanenitrile trisolvate
;
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      146
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   12.9314(2)
_cell_length_b                   12.9314(2)
_cell_length_c                   31.0630(6)
_cell_measurement_reflns_used    5968
_cell_measurement_temperature    99(2)
_cell_measurement_theta_max      28.095
_cell_measurement_theta_min      2.242
_cell_volume                     4498.47(13)
_computing_cell_refinement       SAINT
_computing_data_collection       'SAINT (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Diamond 3.2 (Crystal Impact, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'φ- and ω-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  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0207
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            25270
_diffrn_reflns_theta_full        28.21
_diffrn_reflns_theta_max         28.21
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    1.140
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.662
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_description       needle
_exptl_crystal_F_000             2034
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.079
_refine_diff_density_min         -0.529
_refine_diff_density_rms         0.109
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.51(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4921
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0531
_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)+(0.1148P)²+2.6248P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1563
_refine_ls_wR_factor_ref         0.1632
_reflns_number_gt                4493
_reflns_number_total             4921
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic201053t_si_002_06.cif
_cod_data_source_block           Compound-2e.3MeCN
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               4326112
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'
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 0.22200(4) 0.55539(4) 0.11950(3) 0.03708(15) Uani 1 1 d . . .
C1 C 0.1525(4) 0.6666(5) 0.11952(15) 0.0409(8) Uani 1 1 d . . .
N1 N 0.0913(3) 0.6652(4) 0.08453(14) 0.0467(9) Uani 1 1 d . . .
N4 N 0.3181(4) 0.8842(3) 0.16954(13) 0.0457(8) Uani 1 1 d . . .
N3 N 0.1001(3) 0.4484(3) 0.06947(13) 0.0463(8) Uani 1 1 d . . .
N2 N 0.0923(3) 0.6690(4) 0.15424(15) 0.0492(9) Uani 1 1 d . . .
C15 C 0.3929(5) 1.0036(4) 0.17061(17) 0.0518(10) Uani 1 1 d . . .
H15 H 0.4542 1.0391 0.1496 0.062 Uiso 1 1 calc R . .
C8 C -0.0272(5) 0.2584(5) 0.0374(2) 0.0647(14) Uani 1 1 d . . .
H8 H -0.0559 0.1749 0.0373 0.078 Uiso 1 1 calc R . .
C9 C 0.0560(4) 0.3307(4) 0.06801(17) 0.0525(10) Uani 1 1 d . . .
H9 H 0.0824 0.2949 0.0887 0.063 Uiso 1 1 calc R . .
C11 C 0.2303(5) 0.8361(5) 0.19942(16) 0.0499(10) Uani 1 1 d . . .
C14 C 0.3832(7) 1.0757(5) 0.2013(2) 0.0674(15) Uani 1 1 d . . .
H14 H 0.4383 1.1591 0.2015 0.081 Uiso 1 1 calc R . .
C12 C 0.2155(6) 0.9033(5) 0.23061(18) 0.0622(14) Uani 1 1 d . . .
H12 H 0.1533 0.8663 0.2512 0.075 Uiso 1 1 calc R . .
C5 C 0.0625(4) 0.4973(5) 0.03967(15) 0.0491(10) Uani 1 1 d . . .
C4 C 0.1135(5) 0.6314(4) 0.04259(16) 0.0524(10) Uani 1 1 d . . .
H4A H 0.2006 0.6726 0.0372 0.063 Uiso 1 1 calc R . .
H4B H 0.0767 0.6570 0.0201 0.063 Uiso 1 1 calc R . .
C3 C -0.0089(5) 0.6825(7) 0.1438(2) 0.0719(16) Uani 1 1 d . . .
H3A H 0.0088 0.7655 0.1485 0.086 Uiso 1 1 calc R . .
H3B H -0.0801 0.6273 0.1608 0.086 Uiso 1 1 calc R . .
C2 C -0.0265(5) 0.6494(7) 0.0952(2) 0.0725(16) Uani 1 1 d . . .
H2A H -0.0911 0.5660 0.0906 0.087 Uiso 1 1 calc R . .
H2B H -0.0438 0.7041 0.0784 0.087 Uiso 1 1 calc R . .
C6 C -0.0220(6) 0.4305(5) 0.00846(19) 0.0633(14) Uani 1 1 d . . .
H6 H -0.0482 0.4676 -0.0118 0.076 Uiso 1 1 calc R . .
C7 C -0.0672(6) 0.3065(6) 0.0078(2) 0.0725(16) Uani 1 1 d . . .
H7 H -0.1247 0.2575 -0.0131 0.087 Uiso 1 1 calc R . .
C13 C 0.2931(7) 1.0261(6) 0.23145(19) 0.0708(16) Uani 1 1 d . . .
H13 H 0.2842 1.0747 0.2524 0.085 Uiso 1 1 calc R . .
F7 F -0.0068(5) 0.0961(5) 0.1186(5) 0.087(2) Uani 0.75 1 d P . .
F5 F 0.5659(5) 0.2360(5) 0.1186(4) 0.084(2) Uani 0.75 1 d P . .
C10 C 0.1494(5) 0.7016(4) 0.19649(15) 0.0509(10) Uani 1 1 d . . .
H10A H 0.1969 0.6618 0.2011 0.061 Uiso 1 1 calc R . .
H10B H 0.0875 0.6744 0.2192 0.061 Uiso 1 1 calc R . .
F8 F 0.0000 0.0000 0.0586(4) 0.149(6) Uani 0.75 3 d SP . .
B3 B 0.0000 0.0000 0.1014(6) 0.057(3) Uani 0.75 3 d SP . .
B2 B 0.6667 0.3333 0.1381(5) 0.053(3) Uani 0.75 3 d SP . .
F6 F 0.6667 0.3333 0.1818(4) 0.114(4) Uani 0.75 3 d SP . .
C3S C 0.0000 1.0000 0.2617(5) 0.069(3) Uani 1 3 d S . .
N1S N 0.3333 0.6667 0.2757(5) 0.096(3) Uani 1 3 d SD . .
C1S C 0.3333 0.6667 0.3099(4) 0.066(2) Uani 1 3 d SD . .
C2S C 0.3333 0.6667 0.3538(5) 0.113(5) Uani 1 3 d SD . .
H1S H 0.2648 0.6721 0.3643 0.170 Uiso 0.3333 1 calc PR . .
H3S H 0.4074 0.7352 0.3643 0.170 Uiso 0.3333 1 calc PR . .
H2S H 0.3279 0.5926 0.3643 0.170 Uiso 0.3333 1 calc PR . .
N3S N 0.3657(16) 0.3272(19) 0.2856(8) 0.070(4) Uiso 0.3333 1 d PD A 2
C5S C 0.4483(14) 0.3315(17) 0.2860(7) 0.054(3) Uiso 0.3333 1 d PD A 2
C6S C 0.5482(17) 0.324(2) 0.2861(9) 0.076(5) Uiso 0.3333 1 d PD A 2
H6S1 H 0.5575 0.2952 0.3142 0.115 Uiso 0.3333 1 calc PR A 2
H6S2 H 0.6173 0.4030 0.2804 0.115 Uiso 0.3333 1 calc PR A 2
H6S3 H 0.5426 0.2682 0.2636 0.115 Uiso 0.3333 1 calc PR A 2
B1 B 0.4077(8) 0.3378(9) 0.2869(3) 0.074(5) Uani 0.50 1 d PD B 1
C4S C 0.0000 1.0000 0.2160(5) 0.106(5) Uani 1 3 d S . .
H4S H -0.0823 0.9638 0.2055 0.159 Uiso 0.3333 1 calc PR . .
H5S H 0.0362 0.9539 0.2055 0.159 Uiso 0.3333 1 calc PR . .
H6S H 0.0461 1.0823 0.2055 0.159 Uiso 0.3333 1 calc PR . .
N2S N 0.0000 1.0000 0.2983(5) 0.101(4) Uani 1 3 d S . .
F4 F 0.3060(11) 0.2489(9) 0.2723(3) 0.113(4) Uani 0.50 1 d PD B 1
F3 F 0.4450(10) 0.3005(13) 0.3193(4) 0.166(7) Uani 0.50 1 d PD B 1
F2 F 0.3872(9) 0.4237(8) 0.3000(3) 0.107(3) Uani 0.50 1 d PD B 1
F1 F 0.4881(12) 0.3788(15) 0.2563(4) 0.226(13) Uani 0.50 1 d PD B 1
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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
C1 Cu1 C1 164.80(13) . 2_665
C1 Cu1 N4 99.75(17) . 2_665
C1 Cu1 N4 90.66(17) 2_665 2_665
C1 Cu1 N3 90.80(17) . .
C1 Cu1 N3 99.70(17) 2_665 .
N4 Cu1 N3 93.28(13) 2_665 .
C1 Cu1 Cu1 112.43(13) . 2_665
C1 Cu1 Cu1 52.36(14) 2_665 2_665
N4 Cu1 Cu1 123.62(11) 2_665 2_665
N3 Cu1 Cu1 129.37(10) . 2_665
C1 Cu1 Cu1 52.43(13) . 3_565
C1 Cu1 Cu1 112.36(14) 2_665 3_565
N4 Cu1 Cu1 129.32(10) 2_665 3_565
N3 Cu1 Cu1 123.83(11) . 3_565
Cu1 Cu1 Cu1 60.0 2_665 3_565
N1 C1 N2 107.9(3) . .
N1 C1 Cu1 117.1(3) . .
N2 C1 Cu1 118.8(3) . .
N1 C1 Cu1 118.0(3) . 3_565
N2 C1 Cu1 117.2(3) . 3_565
Cu1 C1 Cu1 75.20(13) . 3_565
C1 N1 C4 122.0(4) . .
C1 N1 C2 112.5(5) . .
C4 N1 C2 120.6(5) . .
C15 N4 C11 117.7(4) . .
C15 N4 Cu1 120.4(3) . 3_565
C11 N4 Cu1 121.8(3) . 3_565
C9 N3 C5 117.8(4) . .
C9 N3 Cu1 121.1(3) . .
C5 N3 Cu1 121.1(3) . .
C1 N2 C3 113.2(5) . .
C1 N2 C10 121.0(4) . .
C3 N2 C10 121.8(5) . .
N4 C15 C14 122.2(5) . .
N4 C15 H15 118.9 . .
C14 C15 H15 118.9 . .
C7 C8 C9 120.2(5) . .
C7 C8 H8 119.9 . .
C9 C8 H8 119.9 . .
N3 C9 C8 122.5(5) . .
N3 C9 H9 118.7 . .
C8 C9 H9 118.7 . .
N4 C11 C12 122.8(5) . .
N4 C11 C10 115.1(4) . .
C12 C11 C10 122.1(5) . .
C13 C14 C15 119.7(6) . .
C13 C14 H14 120.2 . .
C15 C14 H14 120.2 . .
C11 C12 C13 119.0(6) . .
C11 C12 H12 120.5 . .
C13 C12 H12 120.5 . .
N3 C5 C6 123.0(5) . .
N3 C5 C4 116.4(4) . .
C6 C5 C4 120.6(5) . .
N1 C4 C5 111.1(4) . .
N1 C4 H4A 109.4 . .
C5 C4 H4A 109.4 . .
N1 C4 H4B 109.4 . .
C5 C4 H4B 109.4 . .
H4A C4 H4B 108.0 . .
N2 C3 C2 101.7(5) . .
N2 C3 H3A 111.4 . .
C2 C3 H3A 111.4 . .
N2 C3 H3B 111.4 . .
C2 C3 H3B 111.4 . .
H3A C3 H3B 109.3 . .
N1 C2 C3 100.5(5) . .
N1 C2 H2A 111.7 . .
C3 C2 H2A 111.7 . .
N1 C2 H2B 111.7 . .
C3 C2 H2B 111.7 . .
H2A C2 H2B 109.4 . .
C5 C6 C7 117.9(6) . .
C5 C6 H6 121.0 . .
C7 C6 H6 121.0 . .
C8 C7 C6 118.6(5) . .
C8 C7 H7 120.7 . .
C6 C7 H7 120.7 . .
C14 C13 C12 118.6(5) . .
C14 C13 H13 120.7 . .
C12 C13 H13 120.7 . .
N2 C10 C11 110.1(4) . .
N2 C10 H10A 109.6 . .
C11 C10 H10A 109.6 . .
N2 C10 H10B 109.6 . .
C11 C10 H10B 109.6 . .
H10A C10 H10B 108.2 . .
F8 B3 F7 112.5(9) . 3
F8 B3 F7 112.5(9) . 2
F7 B3 F7 106.3(10) 3 2
F8 B3 F7 112.5(9) . .
F7 B3 F7 106.3(10) 3 .
F7 B3 F7 106.3(10) 2 .
F6 B2 F5 115.2(8) . 2_655
F6 B2 F5 115.2(8) . .
F5 B2 F5 103.2(9) 2_655 .
F6 B2 F5 115.2(8) . 3_665
F5 B2 F5 103.2(9) 2_655 3_665
F5 B2 F5 103.2(9) . 3_665
N2S C3S C4S 180.000(6) . .
N1S C1S C2S 180.000(5) . .
C1S C2S H1S 109.5 . .
C1S C2S H3S 109.5 . .
H1S C2S H3S 109.5 . .
C1S C2S H2S 109.5 . .
H1S C2S H2S 109.5 . .
H3S C2S H2S 109.5 . .
N3S C5S C6S 174(3) . .
C5S C6S H6S1 109.5 . .
C5S C6S H6S2 109.5 . .
H6S1 C6S H6S2 109.5 . .
C5S C6S H6S3 109.5 . .
H6S1 C6S H6S3 109.5 . .
H6S2 C6S H6S3 109.5 . .
F3 B1 F1 110.1(6) . .
F3 B1 F4 109.5(6) . .
F1 B1 F4 110.4(6) . .
F3 B1 F2 109.6(6) . .
F1 B1 F2 109.5(6) . .
F4 B1 F2 107.8(6) . .
C3S C4S H4S 109.5 . .
C3S C4S H5S 109.5 . .
H4S C4S H5S 109.5 . .
C3S C4S H6S 109.5 . .
H4S C4S H6S 109.5 . .
H5S C4S H6S 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 C1 2.042(4) .
Cu1 C1 2.044(4) 2_665
Cu1 N4 2.148(4) 2_665
Cu1 N3 2.153(4) .
Cu1 Cu1 2.4929(7) 2_665
Cu1 Cu1 2.4929(7) 3_565
C1 N1 1.339(6) .
C1 N2 1.339(6) .
C1 Cu1 2.044(4) 3_565
N1 C4 1.448(7) .
N1 C2 1.471(6) .
N4 C15 1.351(6) .
N4 C11 1.353(6) .
N4 Cu1 2.148(4) 3_565
N3 C9 1.332(6) .
N3 C5 1.342(6) .
N2 C3 1.442(7) .
N2 C10 1.461(7) .
C15 C14 1.382(8) .
C15 H15 0.9500 .
C8 C7 1.349(10) .
C8 C9 1.389(7) .
C8 H8 0.9500 .
C9 H9 0.9500 .
C11 C12 1.377(7) .
C11 C10 1.519(7) .
C14 C13 1.378(10) .
C14 H14 0.9500 .
C12 C13 1.391(9) .
C12 H12 0.9500 .
C5 C6 1.391(7) .
C5 C4 1.519(7) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C3 C2 1.552(8) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C6 C7 1.406(9) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C13 H13 0.9500 .
F7 B3 1.395(10) .
F5 B2 1.417(10) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
F8 B3 1.33(2) .
B3 F7 1.395(10) 3
B3 F7 1.395(10) 2
B2 F6 1.36(2) .
B2 F5 1.417(10) 2_655
B2 F5 1.417(10) 3_665
C3S N2S 1.138(19) .
C3S C4S 1.42(2) .
N1S C1S 1.060(17) .
C1S C2S 1.365(18) .
C2S H1S 0.9800 .
C2S H3S 0.9800 .
C2S H2S 0.9800 .
N3S C5S 1.040(19) .
C5S C6S 1.344(19) .
C6S H6S1 0.9800 .
C6S H6S2 0.9800 .
C6S H6S3 0.9800 .
B1 F3 1.308(8) .
B1 F1 1.308(8) .
B1 F4 1.320(8) .
B1 F2 1.329(8) .
C4S H4S 0.9800 .
C4S H5S 0.9800 .
C4S H6S 0.9800 .
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
C1 Cu1 C1 N1 114.4(9) 2_665 .
N4 Cu1 C1 N1 -113.0(4) 2_665 .
N3 Cu1 C1 N1 -19.5(4) . .
Cu1 Cu1 C1 N1 114.3(3) 2_665 .
Cu1 Cu1 C1 N1 114.2(4) 3_565 .
C1 Cu1 C1 N2 -113.1(9) 2_665 .
N4 Cu1 C1 N2 19.5(4) 2_665 .
N3 Cu1 C1 N2 113.0(4) . .
Cu1 Cu1 C1 N2 -113.2(4) 2_665 .
Cu1 Cu1 C1 N2 -113.3(4) 3_565 .
C1 Cu1 C1 Cu1 0.2(11) 2_665 3_565
N4 Cu1 C1 Cu1 132.76(13) 2_665 3_565
N3 Cu1 C1 Cu1 -133.77(14) . 3_565
Cu1 Cu1 C1 Cu1 0.02(15) 2_665 3_565
N2 C1 N1 C4 -163.5(4) . .
Cu1 C1 N1 C4 -26.3(6) . .
Cu1 C1 N1 C4 60.7(6) 3_565 .
N2 C1 N1 C2 -8.2(6) . .
Cu1 C1 N1 C2 129.1(4) . .
Cu1 C1 N1 C2 -143.9(4) 3_565 .
C1 Cu1 N3 C9 -146.0(4) . .
C1 Cu1 N3 C9 45.1(4) 2_665 .
N4 Cu1 N3 C9 -46.1(4) 2_665 .
Cu1 Cu1 N3 C9 93.7(4) 2_665 .
Cu1 Cu1 N3 C9 170.5(3) 3_565 .
C1 Cu1 N3 C5 31.5(4) . .
C1 Cu1 N3 C5 -137.4(4) 2_665 .
N4 Cu1 N3 C5 131.3(4) 2_665 .
Cu1 Cu1 N3 C5 -88.8(4) 2_665 .
Cu1 Cu1 N3 C5 -12.0(4) 3_565 .
N1 C1 N2 C3 -6.4(7) . .
Cu1 C1 N2 C3 -142.8(4) . .
Cu1 C1 N2 C3 129.8(4) 3_565 .
N1 C1 N2 C10 -164.1(4) . .
Cu1 C1 N2 C10 59.5(6) . .
Cu1 C1 N2 C10 -27.9(6) 3_565 .
C11 N4 C15 C14 1.1(7) . .
Cu1 N4 C15 C14 177.5(4) 3_565 .
C5 N3 C9 C8 -0.7(7) . .
Cu1 N3 C9 C8 176.9(4) . .
C7 C8 C9 N3 -0.6(9) . .
C15 N4 C11 C12 -0.7(7) . .
Cu1 N4 C11 C12 -177.0(4) 3_565 .
C15 N4 C11 C10 -180.0(4) . .
Cu1 N4 C11 C10 3.7(6) 3_565 .
N4 C15 C14 C13 -1.4(9) . .
N4 C11 C12 C13 0.6(9) . .
C10 C11 C12 C13 179.9(5) . .
C9 N3 C5 C6 1.8(7) . .
Cu1 N3 C5 C6 -175.8(4) . .
C9 N3 C5 C4 179.3(4) . .
Cu1 N3 C5 C4 1.8(6) . .
C1 N1 C4 C5 74.7(6) . .
C2 N1 C4 C5 -78.7(6) . .
N3 C5 C4 N1 -56.2(6) . .
C6 C5 C4 N1 121.4(5) . .
C1 N2 C3 C2 16.8(7) . .
C10 N2 C3 C2 174.3(5) . .
C1 N1 C2 C3 17.6(7) . .
C4 N1 C2 C3 173.3(5) . .
N2 C3 C2 N1 -19.1(6) . .
N3 C5 C6 C7 -1.6(9) . .
C4 C5 C6 C7 -179.1(5) . .
C9 C8 C7 C6 0.7(10) . .
C5 C6 C7 C8 0.3(10) . .
C15 C14 C13 C12 1.3(10) . .
C11 C12 C13 C14 -0.9(10) . .
C1 N2 C10 C11 77.3(6) . .
C3 N2 C10 C11 -78.6(6) . .
N4 C11 C10 N2 -58.6(6) . .
C12 C11 C10 N2 122.1(5) . .
