#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/86/2018671.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2018671
loop_
_publ_author_name
'Langer, Vratislav'
'Mach, Pavol'
'Gyepesová, Dalma'
'Andrezálová, Lucia'
'Kohútová, Mária'
_publ_section_title
;
 X-ray and DFT studies of a mono- and binuclear copper(II) ionic compound
 containing a Schiff base
;
_journal_coeditor_code           SK3453
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m326
_journal_page_last               m328
_journal_paper_doi               10.1107/S010827011204276X
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Cu (C3 H4 N2)4 (C2 H6 O)2] [Cu2 (C15 H14 N3 O5)2]'
_chemical_formula_moiety         'C16 H28 Cu N8 O2 2+, C30 H28 Cu2 N6 O10 2-'
_chemical_formula_sum            'C46 H56 Cu3 N14 O12'
_chemical_formula_weight         1187.67
_chemical_name_systematic
;
trans-bis(ethanol-κO)tetrakis(1H-imidazole-
κN³)copper(II) bis[μ-N-(2-oxidobenzylidene)-D,L-glutamato]-
κ⁴O¹,N,O^2'^:O^2'^;\
κ⁴O^2'^:O¹,N,O^2'^-bis[(1H-imidazole-
κN³)cuprate(II)]
;
_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                96.6070(10)
_cell_angle_beta                 95.1340(10)
_cell_angle_gamma                96.3940(10)
_cell_formula_units_Z            1
_cell_length_a                   8.02750(10)
_cell_length_b                   9.94010(10)
_cell_length_c                   16.84440(10)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.50
_cell_measurement_theta_min      2.08
_cell_volume                     1319.71(2)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction
'SAINT (Bruker, 2003) and SADABS (Sheldrick, 2003)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2010)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       '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  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19560
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.50
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.271
_exptl_absorpt_correction_T_max  0.8942
_exptl_absorpt_correction_T_min  0.5161
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             613
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.648
_refine_diff_density_min         -0.505
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         7695
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0316
_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)+(0.0487P)²+0.7014P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0834
_refine_ls_wR_factor_ref         0.0871
_reflns_number_gt                6910
_reflns_number_total             7695
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sk3453.cif
_cod_data_source_block           I
_cod_database_code               2018671
_cod_database_fobs_code          2018671
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Cu Cu1 0.13452(2) 0.630052(16) 0.479545(10) 0.01747(5) Uani d . 1 1
Cu Cu2 1.0000 0.0000 0.0000 0.01931(6) Uani d S 1 2
O O1 0.40911(19) 0.57001(14) 0.15490(9) 0.0419(3) Uani d . 1 1
O O2 0.40280(18) 0.34096(14) 0.13837(10) 0.0425(3) Uani d . 1 1
O O3 0.16929(14) 0.47814(10) 0.54060(6) 0.0206(2) Uani d . 1 1
O O5 0.10670(14) 0.78228(10) 0.41445(6) 0.0221(2) Uani d . 1 1
O O6 0.17486(17) 0.86298(11) 0.30070(7) 0.0297(3) Uani d . 1 1
N N1 0.23993(16) 0.55297(12) 0.38624(7) 0.0178(2) Uani d . 1 1
N N2 0.08240(16) 0.74564(12) 0.57708(7) 0.0192(2) Uani d . 1 1
N N3 -0.01714(18) 0.91090(13) 0.65249(8) 0.0235(3) Uani d . 1 1
H H3 -0.0641 0.9849 0.6662 0.028 Uiso calc R 1 1
C C1 0.34089(18) 0.45884(14) 0.38862(9) 0.0190(3) Uani d . 1 1
H H1 0.4084 0.4462 0.3455 0.023 Uiso calc R 1 1
C C2 0.35872(17) 0.37114(13) 0.45233(9) 0.0182(2) Uani d . 1 1
C C3 0.46818(19) 0.26835(14) 0.44106(10) 0.0224(3) Uani d . 1 1
H H3A 0.5250 0.2611 0.3939 0.027 Uiso calc R 1 1
C C4 0.4940(2) 0.17786(15) 0.49765(11) 0.0258(3) Uani d . 1 1
H H4 0.5674 0.1101 0.4892 0.031 Uiso calc R 1 1
C C5 0.4085(2) 0.18953(15) 0.56764(10) 0.0261(3) Uani d . 1 1
H H5 0.4232 0.1278 0.6060 0.031 Uiso calc R 1 1
C C6 0.3025(2) 0.29101(15) 0.58099(9) 0.0233(3) Uani d . 1 1
H H6 0.2484 0.2978 0.6290 0.028 Uiso calc R 1 1
C C7 0.27345(17) 0.38493(13) 0.52395(9) 0.0182(2) Uani d . 1 1
C C8 0.23665(19) 0.63546(14) 0.31764(8) 0.0191(3) Uani d . 1 1
H H8 0.3537 0.6555 0.3025 0.023 Uiso calc R 1 1
C C9 0.11962(19) 0.56409(15) 0.24275(9) 0.0223(3) Uani d . 1 1
H H9A 0.0057 0.5408 0.2592 0.027 Uiso calc R 1 1
H H9B 0.1103 0.6298 0.2032 0.027 Uiso calc R 1 1
C C10 0.17714(19) 0.43306(15) 0.20089(9) 0.0217(3) Uani d . 1 1
H H10A 0.0869 0.3904 0.1587 0.026 Uiso calc R 1 1
H H10B 0.1889 0.3684 0.2410 0.026 Uiso calc R 1 1
C C11 0.34439(19) 0.45190(15) 0.16194(9) 0.0221(3) Uani d . 1 1
C C12 0.1081(2) 0.72372(15) 0.65720(9) 0.0236(3) Uani d . 1 1
H H12 0.1598 0.6505 0.6762 0.028 Uiso calc R 1 1
C C13 0.0463(2) 0.82577(16) 0.70441(9) 0.0270(3) Uani d . 1 1
H H13 0.0471 0.8358 0.7612 0.032 Uiso calc R 1 1
C C14 0.0062(2) 0.85949(15) 0.57691(9) 0.0221(3) Uani d . 1 1
H H14 -0.0269 0.8986 0.5300 0.027 Uiso calc R 1 1
C C15 0.16902(19) 0.77178(14) 0.34626(8) 0.0189(3) Uani d . 1 1
N N1A 0.85635(16) -0.10789(13) 0.07061(7) 0.0205(2) Uani d . 1 1
N N3A 0.66783(19) -0.25775(15) 0.11300(9) 0.0304(3) Uani d . 1 1
H H3A1 0.5775 -0.3166 0.1132 0.036 Uiso calc R 1 1
C C2A 0.7109(2) -0.19082(17) 0.05029(10) 0.0262(3) Uani d . 1 1
H H2A 0.6470 -0.2013 -0.0008 0.031 Uiso calc R 1 1
C C4A 0.7912(2) -0.21658(19) 0.17611(11) 0.0318(4) Uani d . 1 1
H H4A 0.7950 -0.2465 0.2277 0.038 Uiso calc R 1 1
C C5A 0.9082(2) -0.12371(17) 0.14998(9) 0.0250(3) Uani d . 1 1
H H5A 1.0075 -0.0781 0.1808 0.030 Uiso calc R 1 1
N N1B 0.88269(16) 0.17106(13) 0.02825(8) 0.0209(2) Uani d . 1 1
N N3B 0.69987(18) 0.30377(15) 0.07838(9) 0.0290(3) Uani d . 1 1
H H3B 0.6203 0.3313 0.1068 0.035 Uiso calc R 1 1
C C2B 0.7615(2) 0.18189(17) 0.07787(10) 0.0263(3) Uani d . 1 1
H H2B 0.7236 0.1127 0.1089 0.032 Uiso calc R 1 1
C C4B 0.7850(2) 0.37652(18) 0.02618(11) 0.0327(4) Uani d . 1 1
H H4B 0.7687 0.4653 0.0137 0.039 Uiso calc R 1 1
C C5B 0.8982(2) 0.29490(17) -0.00431(11) 0.0300(3) Uani d . 1 1
H H5B 0.9750 0.3189 -0.0416 0.036 Uiso calc R 1 1
O O3C 0.77625(16) -0.07884(13) -0.12461(8) 0.0313(3) Uani d . 1 1
H H3C 0.7379 -0.1620 -0.1321 0.047 Uiso calc R 1 1
C C1C 0.5324(3) -0.0495(3) -0.22109(13) 0.0452(5) Uani d . 1 1
H H1C1 0.6021 -0.0452 -0.2658 0.068 Uiso calc R 1 1
H H1C2 0.4411 0.0072 -0.2282 0.068 Uiso calc R 1 1
H H1C3 0.4843 -0.1442 -0.2199 0.068 Uiso calc R 1 1
C C2C 0.6408(2) 0.0028(2) -0.14211(12) 0.0348(4) Uani d . 1 1
H H2C1 0.6904 0.0979 -0.1442 0.042 Uiso calc R 1 1
H H2C2 0.5679 0.0039 -0.0977 0.042 Uiso calc R 1 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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O3 Cu1 N1 . . 94.15(5)
O3 Cu1 O5 . . 177.53(4)
N1 Cu1 O5 . . 83.52(4)
O3 Cu1 N2 . . 91.78(5)
N1 Cu1 N2 . . 164.51(5)
O5 Cu1 N2 . . 90.28(5)
N1A Cu2 N1A . 2_755 180.0
N1A Cu2 N1B . 2_755 88.77(5)
N1A Cu2 N1B 2_755 2_755 91.23(5)
N1A Cu2 N1B . . 91.23(5)
N1A Cu2 N1B 2_755 . 88.77(5)
N1B Cu2 N1B 2_755 . 180.0
C7 O3 Cu1 . . 125.14(9)
C15 O5 Cu1 . . 115.76(9)
C1 N1 C8 . . 119.38(12)
C1 N1 Cu1 . . 124.10(10)
C8 N1 Cu1 . . 114.46(8)
C14 N2 C12 . . 106.09(12)
C14 N2 Cu1 . . 125.46(10)
C12 N2 Cu1 . . 128.38(10)
C14 N3 C13 . . 107.60(12)
C14 N3 H3 . . 126.2
C13 N3 H3 . . 126.2
N1 C1 C2 . . 125.43(13)
N1 C1 H1 . . 117.3
C2 C1 H1 . . 117.3
C3 C2 C7 . . 119.86(13)
C3 C2 C1 . . 116.69(13)
C7 C2 C1 . . 123.44(12)
C4 C3 C2 . . 121.76(14)
C4 C3 H3A . . 119.1
C2 C3 H3A . . 119.1
C3 C4 C5 . . 118.65(13)
C3 C4 H4 . . 120.7
C5 C4 H4 . . 120.7
C6 C5 C4 . . 120.85(14)
C6 C5 H5 . . 119.6
C4 C5 H5 . . 119.6
C5 C6 C7 . . 121.67(14)
C5 C6 H6 . . 119.2
C7 C6 H6 . . 119.2
O3 C7 C6 . . 118.17(13)
O3 C7 C2 . . 124.64(12)
C6 C7 C2 . . 117.19(12)
N1 C8 C9 . . 113.10(12)
N1 C8 C15 . . 107.57(11)
C9 C8 C15 . . 107.96(11)
N1 C8 H8 . . 109.4
C9 C8 H8 . . 109.4
C15 C8 H8 . . 109.4
C10 C9 C8 . . 115.32(12)
C10 C9 H9A . . 108.4
C8 C9 H9A . . 108.4
C10 C9 H9B . . 108.4
C8 C9 H9B . . 108.4
H9A C9 H9B . . 107.5
C9 C10 C11 . . 116.10(12)
C9 C10 H10A . . 108.3
C11 C10 H10A . . 108.3
C9 C10 H10B . . 108.3
C11 C10 H10B . . 108.3
H10A C10 H10B . . 107.4
O1 C11 O2 . . 125.82(15)
O1 C11 C10 . . 119.14(14)
O2 C11 C10 . . 115.03(13)
C13 C12 N2 . . 108.89(13)
C13 C12 H12 . . 125.6
N2 C12 H12 . . 125.6
N3 C13 C12 . . 106.43(13)
N3 C13 H13 . . 126.8
C12 C13 H13 . . 126.8
N2 C14 N3 . . 110.98(13)
N2 C14 H14 . . 124.5
N3 C14 H14 . . 124.5
O6 C15 O5 . . 124.23(13)
O6 C15 C8 . . 117.82(12)
O5 C15 C8 . . 117.92(12)
C2A N1A C5A . . 106.18(13)
C2A N1A Cu2 . . 129.31(11)
C5A N1A Cu2 . . 123.92(10)
C2A N3A C4A . . 107.62(14)
C2A N3A H3A1 . . 126.2
C4A N3A H3A1 . . 126.2
N1A C2A N3A . . 110.66(15)
N1A C2A H2A . . 124.7
N3A C2A H2A . . 124.7
C5A C4A N3A . . 106.91(14)
C5A C4A H4A . . 126.5
N3A C4A H4A . . 126.5
C4A C5A N1A . . 108.63(15)
C4A C5A H5A . . 125.7
N1A C5A H5A . . 125.7
C2B N1B C5B . . 104.89(13)
C2B N1B Cu2 . . 126.15(11)
C5B N1B Cu2 . . 128.71(10)
C2B N3B C4B . . 107.39(14)
C2B N3B H3B . . 126.3
C4B N3B H3B . . 126.3
N1B C2B N3B . . 111.79(14)
N1B C2B H2B . . 124.1
N3B C2B H2B . . 124.1
C5B C4B N3B . . 106.42(15)
C5B C4B H4B . . 126.8
N3B C4B H4B . . 126.8
C4B C5B N1B . . 109.50(15)
C4B C5B H5B . . 125.3
N1B C5B H5B . . 125.3
C2C O3C H3C . . 109.5
C2C C1C H1C1 . . 109.5
C2C C1C H1C2 . . 109.5
H1C1 C1C H1C2 . . 109.5
C2C C1C H1C3 . . 109.5
H1C1 C1C H1C3 . . 109.5
H1C2 C1C H1C3 . . 109.5
O3C C2C C1C . . 113.49(17)
O3C C2C H2C1 . . 108.9
C1C C2C H2C1 . . 108.9
O3C C2C H2C2 . . 108.9
C1C C2C H2C2 . . 108.9
H2C1 C2C H2C2 . . 107.7
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 O3 . 1.9533(10) y
Cu1 N1 . 1.9694(12) y
Cu1 O5 . 1.9887(10) y
Cu1 N2 . 1.9974(12) y
Cu2 N1A . 2.0391(12) y
Cu2 N1A 2_755 2.0391(12) ?
Cu2 N1B 2_755 2.0628(13) ?
Cu2 N1B . 2.0628(13) y
O1 C11 . 1.2528(19) ?
O2 C11 . 1.281(2) ?
O3 C7 . 1.3383(16) ?
O5 C15 . 1.2911(17) ?
O6 C15 . 1.2531(17) ?
N1 C1 . 1.3061(18) ?
N1 C8 . 1.4918(17) ?
N2 C14 . 1.3452(18) ?
N2 C12 . 1.3926(19) ?
N3 C14 . 1.3533(19) ?
N3 C13 . 1.388(2) ?
N3 H3 . 0.8800 ?
C1 C2 . 1.4653(19) ?
C1 H1 . 0.9500 ?
C2 C3 . 1.4274(19) ?
C2 C7 . 1.440(2) ?
C3 C4 . 1.401(2) ?
C3 H3A . 0.9500 ?
C4 C5 . 1.416(2) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.402(2) ?
C5 H5 . 0.9500 ?
C6 C7 . 1.4366(19) ?
C6 H6 . 0.9500 ?
C8 C9 . 1.553(2) ?
C8 C15 . 1.5569(19) ?
C8 H8 . 1.0000 ?
C9 C10 . 1.545(2) ?
C9 H9A . 0.9900 ?
C9 H9B . 0.9900 ?
C10 C11 . 1.549(2) ?
C10 H10A . 0.9900 ?
C10 H10B . 0.9900 ?
C12 C13 . 1.380(2) ?
C12 H12 . 0.9500 ?
C13 H13 . 0.9500 ?
C14 H14 . 0.9500 ?
N1A C2A . 1.345(2) ?
N1A C5A . 1.396(2) ?
N3A C2A . 1.362(2) ?
N3A C4A . 1.378(2) ?
N3A H3A1 . 0.8800 ?
C2A H2A . 0.9500 ?
C4A C5A . 1.379(2) ?
C4A H4A . 0.9500 ?
C5A H5A . 0.9500 ?
N1B C2B . 1.3432(19) ?
N1B C5B . 1.402(2) ?
N3B C2B . 1.358(2) ?
N3B C4B . 1.381(2) ?
N3B H3B . 0.8800 ?
C2B H2B . 0.9500 ?
C4B C5B . 1.379(2) ?
C4B H4B . 0.9500 ?
C5B H5B . 0.9500 ?
O3C C2C . 1.456(2) ?
O3C H3C . 0.8400 ?
C1C C2C . 1.527(3) ?
C1C H1C1 . 0.9800 ?
C1C H1C2 . 0.9800 ?
C1C H1C3 . 0.9800 ?
C2C H2C1 . 0.9900 ?
C2C H2C2 . 0.9900 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O3C H3C O2 2_655 0.84 1.99 2.8064(18) 166
N3B H3B O2 . 0.88 1.88 2.7178(19) 158
N3 H3 O6 2_576 0.88 1.89 2.7716(16) 176
N3A H3A1 O1 1_545 0.88 1.90 2.7370(19) 159
C2A H2A O2 2_655 0.95 2.54 3.353(2) 144
C2B H2B N1A . 0.95 2.58 3.052(2) 111
C5A H5A O3C 2_755 0.95 2.53 3.148(2) 123
C5A H5A O6 1_645 0.95 2.49 3.196(2) 131
C1C H1C1 O6 2_665 0.98 2.56 3.306(3) 133
C14 H14 O5 . 0.95 2.53 2.9629(18) 108
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_site_symmetry_1
_geom_torsion
N1 Cu1 O3 C7 . 15.35(12)
N2 Cu1 O3 C7 . -150.33(12)
N1 Cu1 O5 C15 . -2.52(11)
N2 Cu1 O5 C15 . 163.26(11)
O3 Cu1 N1 C1 . -19.06(12)
O5 Cu1 N1 C1 . 160.14(12)
N2 Cu1 N1 C1 . 93.2(2)
O3 Cu1 N1 C8 . 177.42(10)
O5 Cu1 N1 C8 . -3.39(10)
N2 Cu1 N1 C8 . -70.4(2)
O3 Cu1 N2 C14 . -163.51(13)
N1 Cu1 N2 C14 . 84.0(2)
O5 Cu1 N2 C14 . 17.84(13)
O3 Cu1 N2 C12 . 13.09(13)
N1 Cu1 N2 C12 . -99.4(2)
O5 Cu1 N2 C12 . -165.56(13)
C8 N1 C1 C2 . 179.41(13)
Cu1 N1 C1 C2 . 16.6(2)
N1 C1 C2 C3 . 176.04(14)
N1 C1 C2 C7 . -4.4(2)
C7 C2 C3 C4 . 0.9(2)
C1 C2 C3 C4 . -179.50(14)
C2 C3 C4 C5 . 0.1(2)
C3 C4 C5 C6 . -1.2(2)
C4 C5 C6 C7 . 1.3(2)
Cu1 O3 C7 C6 . 171.46(10)
Cu1 O3 C7 C2 . -8.9(2)
C5 C6 C7 O3 . 179.37(14)
C5 C6 C7 C2 . -0.3(2)
C3 C2 C7 O3 . 179.57(13)
C1 C2 C7 O3 . 0.0(2)
C3 C2 C7 C6 . -0.8(2)
C1 C2 C7 C6 . 179.67(13)
C1 N1 C8 C9 . 83.97(16)
Cu1 N1 C8 C9 . -111.66(11)
C1 N1 C8 C15 . -156.90(13)
Cu1 N1 C8 C15 . 7.47(14)
N1 C8 C9 C10 . -66.68(16)
C15 C8 C9 C10 . 174.41(12)
C8 C9 C10 C11 . -65.05(17)
C9 C10 C11 O1 . -11.1(2)
C9 C10 C11 O2 . 169.94(15)
C14 N2 C12 C13 . 0.00(18)
Cu1 N2 C12 C13 . -177.12(11)
C14 N3 C13 C12 . 0.30(19)
N2 C12 C13 N3 . -0.18(19)
C12 N2 C14 N3 . 0.20(18)
Cu1 N2 C14 N3 . 177.42(10)
C13 N3 C14 N2 . -0.31(19)
Cu1 O5 C15 O6 . -174.04(12)
Cu1 O5 C15 C8 . 7.78(17)
N1 C8 C15 O6 . 171.77(13)
C9 C8 C15 O6 . -65.87(17)
N1 C8 C15 O5 . -9.93(18)
C9 C8 C15 O5 . 112.43(14)
N1B Cu2 N1A C2A 2_755 -85.74(14)
N1B Cu2 N1A C2A . 94.27(14)
N1B Cu2 N1A C5A 2_755 84.19(12)
N1B Cu2 N1A C5A . -95.81(12)
C5A N1A C2A N3A . 0.30(18)
Cu2 N1A C2A N3A . 171.61(11)
C4A N3A C2A N1A . -0.3(2)
C2A N3A C4A C5A . 0.2(2)
N3A C4A C5A N1A . 0.01(19)
C2A N1A C5A C4A . -0.19(18)
Cu2 N1A C5A C4A . -172.09(11)
N1A Cu2 N1B C2B . 1.01(14)
N1A Cu2 N1B C2B 2_755 -178.99(14)
N1A Cu2 N1B C5B . -172.51(14)
N1A Cu2 N1B C5B 2_755 7.49(14)
C5B N1B C2B N3B . 0.21(19)
Cu2 N1B C2B N3B . -174.57(11)
C4B N3B C2B N1B . 0.1(2)
C2B N3B C4B C5B . -0.4(2)
N3B C4B C5B N1B . 0.5(2)
C2B N1B C5B C4B . -0.5(2)
Cu2 N1B C5B C4B . 174.13(12)
