#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/69/2216971.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_2216971
loop_
_publ_author_name
'Şahin, Onur'
'Büyükgüngör, Orhan'
'Ulusoy, Mahmut'
'Çetinkaya, Bekir'
_publ_section_title
Bis{μ-2,4-di-tert-butyl-6-[3-(1H-imidazol-1-yl)propyliminomethyl]phenolato}bis[acetatocopper(II)]
_journal_coeditor_code           CF2164
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m51
_journal_page_last               m51
_journal_paper_doi               10.1107/S1600536807063283
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu2 (C21 H30 N3 O)2 (C2 H3 O2)2]'
_chemical_formula_moiety         'C46 H66 Cu2 N6 O6'
_chemical_formula_sum            'C46 H66 Cu2 N6 O6'
_chemical_formula_weight         926.13
_chemical_name_systematic
;
Bis{μ-2,4-di-tert-butyl-6-[3-(1H-imidazol-1-
yl)propyliminomethyl]phenolato}bis[acetatocopper(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 116.502(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.1745(11)
_cell_length_b                   10.2898(8)
_cell_length_c                   19.0850(17)
_cell_measurement_reflns_used    29181
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.94
_cell_measurement_theta_min      1.61
_cell_volume                     2491.1(4)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'STOE IPDSII'
_diffrn_measurement_method       'rotation method'
_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  0.1670
_diffrn_reflns_av_sigmaI/netI    0.1094
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            34842
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.20
_diffrn_standards_decay_%        <2
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.903
_exptl_absorpt_correction_T_max  0.914
_exptl_absorpt_correction_T_min  0.741
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             980
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.311
_refine_diff_density_min         -0.236
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         4905
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.952
_refine_ls_R_factor_all          0.1470
_refine_ls_R_factor_gt           0.0665
_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)+(0.0447P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1053
_refine_ls_wR_factor_ref         0.1277
_reflns_number_gt                2485
_reflns_number_total             4905
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cf2164.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -P2ybc
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               2216971
_cod_database_fobs_code          2216971
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_disorder_assembly
_atom_site_disorder_group
C C1 0.6847(4) 0.6496(5) 0.4074(3) 0.0479(12) Uani d . 1 . .
C C2 0.6890(4) 0.5548(4) 0.3558(3) 0.0478(12) Uani d . 1 . .
C C3 0.7777(4) 0.5428(5) 0.3420(3) 0.0573(14) Uani d . 1 . .
H H3 0.7789 0.4768 0.3092 0.069 Uiso calc R 1 . .
C C4 0.8623(4) 0.6239(5) 0.3749(3) 0.0570(14) Uani d . 1 . .
C C5 0.8573(4) 0.7181(6) 0.4260(3) 0.0635(15) Uani d . 1 . .
H H5 0.9142 0.7745 0.4491 0.076 Uiso calc R 1 . .
C C6 0.7738(4) 0.7346(5) 0.4451(3) 0.0531(13) Uani d . 1 . .
C C7 0.6028(4) 0.4685(5) 0.3117(3) 0.0556(13) Uani d . 1 . .
H H7 0.6150 0.4070 0.2810 0.067 Uiso calc R 1 . .
C C8 0.9600(5) 0.6182(6) 0.3599(4) 0.0752(17) Uani d . 1 . .
C C9 0.9519(6) 0.5078(8) 0.3043(6) 0.141(4) Uani d . 1 . .
H H9A 0.9468 0.4264 0.3269 0.169 Uiso calc R 1 . .
H H9B 1.0136 0.5074 0.2955 0.169 Uiso calc R 1 . .
H H9C 0.8904 0.5200 0.2554 0.169 Uiso calc R 1 . .
C C10 0.9705(7) 0.7427(8) 0.3223(5) 0.131(3) Uani d . 1 . .
H H10A 1.0295 0.7362 0.3105 0.157 Uiso calc R 1 . .
H H10B 0.9814 0.8139 0.3576 0.157 Uiso calc R 1 . .
H H10C 0.9073 0.7573 0.2748 0.157 Uiso calc R 1 . .
C C11 1.0571(5) 0.5926(11) 0.4350(5) 0.156(4) Uani d . 1 . .
H H11A 1.0500 0.5106 0.4563 0.187 Uiso calc R 1 . .
H H11B 1.0656 0.6605 0.4719 0.187 Uiso calc R 1 . .
H H11C 1.1177 0.5902 0.4250 0.187 Uiso calc R 1 . .
C C12 0.7780(4) 0.8338(6) 0.5050(3) 0.0671(15) Uani d . 1 . .
C C13 0.8787(5) 0.9195(8) 0.5362(4) 0.113(3) Uani d . 1 . .
H H13A 0.8786 0.9778 0.5754 0.136 Uiso calc R 1 . .
H H13B 0.8796 0.9687 0.4938 0.136 Uiso calc R 1 . .
H H13C 0.9400 0.8650 0.5586 0.136 Uiso calc R 1 . .
C C14 0.6846(5) 0.9279(6) 0.4704(3) 0.0811(17) Uani d . 1 . .
H H14A 0.6199 0.8802 0.4537 0.097 Uiso calc R 1 . .
H H14B 0.6853 0.9722 0.4264 0.097 Uiso calc R 1 . .
H H14C 0.6900 0.9903 0.5094 0.097 Uiso calc R 1 . .
C C15 0.7796(5) 0.7619(7) 0.5764(3) 0.0817(18) Uani d . 1 . .
H H15A 0.7156 0.7132 0.5605 0.098 Uiso calc R 1 . .
H H15B 0.7854 0.8240 0.6157 0.098 Uiso calc R 1 . .
H H15C 0.8388 0.7039 0.5974 0.098 Uiso calc R 1 . .
C C16 0.4370(4) 0.3671(5) 0.2586(3) 0.0649(16) Uani d . 1 . .
H H16A 0.4696 0.3215 0.2306 0.078 Uiso calc R 1 . .
H H16B 0.3740 0.4095 0.2203 0.078 Uiso calc R 1 . .
C C17 0.4064(5) 0.2697(6) 0.3046(3) 0.0698(17) Uani d . 1 . .
H H17A 0.3537 0.2114 0.2679 0.084 Uiso calc R 1 . .
H H17B 0.3742 0.3162 0.3326 0.084 Uiso calc R 1 . .
C C18 0.5027(5) 0.8115(6) 0.6368(4) 0.0771(18) Uani d . 1 . .
H H18A 0.4521 0.8271 0.6571 0.092 Uiso calc R 1 . .
H H18B 0.5294 0.8949 0.6300 0.092 Uiso calc R 1 . .
C C19 0.4943(4) 0.7166(5) 0.5142(3) 0.0657(15) Uani d . 1 . .
H H19 0.5638 0.7362 0.5260 0.079 Uiso calc R 1 . .
C C20 0.3381(4) 0.6471(6) 0.4573(3) 0.0665(15) Uani d . 1 . .
H H20 0.2764 0.6086 0.4207 0.080 Uiso calc R 1 . .
C C21 0.3507(5) 0.7013(6) 0.5248(4) 0.0705(16) Uani d . 1 . .
H H21 0.3002 0.7066 0.5433 0.085 Uiso calc R 1 . .
C C22 0.2820(5) 0.6256(6) 0.2458(4) 0.0721(17) Uani d . 1 . .
C C23 0.1666(5) 0.6146(8) 0.1897(4) 0.122(3) Uani d . 1 A .
H H23A 0.1251 0.6322 0.2169 0.146 Uiso calc R 1 . .
H H23B 0.1518 0.5283 0.1683 0.146 Uiso calc R 1 . .
H H23C 0.1493 0.6763 0.1480 0.146 Uiso calc R 1 . .
N N1 0.5106(3) 0.4662(4) 0.3098(2) 0.0543(11) Uani d . 1 A .
N N2 0.4498(4) 0.7462(4) 0.5607(3) 0.0620(12) Uani d . 1 . .
N N3 0.4297(3) 0.6572(4) 0.4504(2) 0.0596(11) Uani d . 1 A .
O O1 0.6027(2) 0.6631(3) 0.42159(19) 0.0557(9) Uani d . 1 A .
O O2 0.3149(3) 0.5524(4) 0.3042(2) 0.0705(11) Uani d . 1 A .
O O3A 0.327(3) 0.721(4) 0.253(2) 0.105(5) Uani d PU 0.30(4) A 1
O O3B 0.3390(11) 0.6916(16) 0.2238(13) 0.105(5) Uani d PU 0.70(4) A 2
Cu Cu1 0.46586(5) 0.58707(6) 0.36829(4) 0.0531(2) Uani d . 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
O1 C1 C2 . . 122.5(4)
O1 C1 C6 . . 119.5(4)
C2 C1 C6 . . 118.0(4)
C3 C2 C1 . . 121.1(5)
C3 C2 C7 . . 115.8(5)
C1 C2 C7 . . 123.1(4)
C4 C3 C2 . . 122.7(5)
C4 C3 H3 . . 118.7
C2 C3 H3 . . 118.7
C3 C4 C5 . . 115.9(5)
C3 C4 C8 . . 125.0(5)
C5 C4 C8 . . 119.2(5)
C6 C5 C4 . . 125.4(5)
C6 C5 H5 . . 117.3
C4 C5 H5 . . 117.3
C5 C6 C1 . . 116.9(5)
C5 C6 C12 . . 121.8(5)
C1 C6 C12 . . 121.2(4)
N1 C7 C2 . . 127.8(5)
N1 C7 H7 . . 116.1
C2 C7 H7 . . 116.1
C11 C8 C10 . . 111.1(7)
C11 C8 C9 . . 106.6(6)
C10 C8 C9 . . 107.1(6)
C11 C8 C4 . . 110.3(5)
C10 C8 C4 . . 110.2(5)
C9 C8 C4 . . 111.4(5)
C8 C9 H9A . . 109.5
C8 C9 H9B . . 109.5
H9A C9 H9B . . 109.5
C8 C9 H9C . . 109.5
H9A C9 H9C . . 109.5
H9B C9 H9C . . 109.5
C8 C10 H10A . . 109.5
C8 C10 H10B . . 109.5
H10A C10 H10B . . 109.5
C8 C10 H10C . . 109.5
H10A C10 H10C . . 109.5
H10B C10 H10C . . 109.5
C8 C11 H11A . . 109.5
C8 C11 H11B . . 109.5
H11A C11 H11B . . 109.5
C8 C11 H11C . . 109.5
H11A C11 H11C . . 109.5
H11B C11 H11C . . 109.5
C6 C12 C14 . . 111.4(4)
C6 C12 C15 . . 108.9(5)
C14 C12 C15 . . 110.7(5)
C6 C12 C13 . . 113.1(5)
C14 C12 C13 . . 106.0(5)
C15 C12 C13 . . 106.6(5)
C12 C13 H13A . . 109.5
C12 C13 H13B . . 109.5
H13A C13 H13B . . 109.5
C12 C13 H13C . . 109.5
H13A C13 H13C . . 109.5
H13B C13 H13C . . 109.5
C12 C14 H14A . . 109.5
C12 C14 H14B . . 109.5
H14A C14 H14B . . 109.5
C12 C14 H14C . . 109.5
H14A C14 H14C . . 109.5
H14B C14 H14C . . 109.5
C12 C15 H15A . . 109.5
C12 C15 H15B . . 109.5
H15A C15 H15B . . 109.5
C12 C15 H15C . . 109.5
H15A C15 H15C . . 109.5
H15B C15 H15C . . 109.5
N1 C16 C17 . . 112.0(4)
N1 C16 H16A . . 109.2
C17 C16 H16A . . 109.2
N1 C16 H16B . . 109.2
C17 C16 H16B . . 109.2
H16A C16 H16B . . 107.9
C16 C17 C18 . 3_666 114.9(5)
C16 C17 H17A . . 108.5
C18 C17 H17A 3_666 . 108.5
C16 C17 H17B . . 108.5
C18 C17 H17B 3_666 . 108.5
H17A C17 H17B . . 107.5
N2 C18 C17 . 3_666 111.5(4)
N2 C18 H18A . . 109.3
C17 C18 H18A 3_666 . 109.3
N2 C18 H18B . . 109.3
C17 C18 H18B 3_666 . 109.3
H18A C18 H18B . . 108.0
N3 C19 N2 . . 112.7(5)
N3 C19 H19 . . 123.7
N2 C19 H19 . . 123.7
C21 C20 N3 . . 109.7(5)
C21 C20 H20 . . 125.2
N3 C20 H20 . . 125.2
C20 C21 N2 . . 107.1(5)
C20 C21 H21 . . 126.5
N2 C21 H21 . . 126.5
O3A C22 O2 . . 116(2)
O2 C22 O3B . . 125.6(8)
O3A C22 C23 . . 121.2(19)
O2 C22 C23 . . 116.3(6)
O3B C22 C23 . . 117.1(9)
C22 C23 H23A . . 109.5
C22 C23 H23B . . 109.5
H23A C23 H23B . . 109.5
C22 C23 H23C . . 109.5
H23A C23 H23C . . 109.5
H23B C23 H23C . . 109.5
C7 N1 C16 . . 116.1(4)
C7 N1 Cu1 . . 123.6(3)
C16 N1 Cu1 . . 120.2(3)
C19 N2 C21 . . 106.3(5)
C19 N2 C18 . . 125.4(5)
C21 N2 C18 . . 128.3(5)
C19 N3 C20 . . 104.3(4)
C19 N3 Cu1 . . 125.8(4)
C20 N3 Cu1 . . 129.7(4)
C1 O1 Cu1 . . 128.9(3)
C22 O2 Cu1 . . 108.4(4)
O1 Cu1 N1 . . 93.07(15)
O1 Cu1 O2 . . 165.98(17)
N1 Cu1 O2 . . 93.98(16)
O1 Cu1 N3 . . 89.40(16)
N1 Cu1 N3 . . 160.63(17)
O2 Cu1 N3 . . 87.95(16)
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
C1 O1 . 1.313(5) ?
C1 C2 . 1.407(6) ?
C1 C6 . 1.439(7) ?
C2 C3 . 1.399(6) ?
C2 C7 . 1.440(7) ?
C3 C4 . 1.363(7) ?
C3 H3 . 0.930 ?
C4 C5 . 1.400(7) ?
C4 C8 . 1.535(7) ?
C5 C6 . 1.395(7) ?
C5 H5 . 0.930 ?
C6 C12 . 1.514(7) ?
C7 N1 . 1.291(6) ?
C7 H7 . 0.930 ?
C8 C11 . 1.503(9) ?
C8 C10 . 1.508(9) ?
C8 C9 . 1.524(10) ?
C9 H9A . 0.960 ?
C9 H9B . 0.960 ?
C9 H9C . 0.960 ?
C10 H10A . 0.960 ?
C10 H10B . 0.960 ?
C10 H10C . 0.960 ?
C11 H11A . 0.960 ?
C11 H11B . 0.960 ?
C11 H11C . 0.960 ?
C12 C14 . 1.532(8) ?
C12 C15 . 1.541(8) ?
C12 C13 . 1.552(8) ?
C13 H13A . 0.960 ?
C13 H13B . 0.960 ?
C13 H13C . 0.960 ?
C14 H14A . 0.960 ?
C14 H14B . 0.960 ?
C14 H14C . 0.960 ?
C15 H15A . 0.960 ?
C15 H15B . 0.960 ?
C15 H15C . 0.960 ?
C16 N1 . 1.474(6) ?
C16 C17 . 1.517(7) ?
C16 H16A . 0.970 ?
C16 H16B . 0.970 ?
C17 C18 3_666 1.524(8) ?
C17 H17A . 0.970 ?
C17 H17B . 0.970 ?
C18 N2 . 1.467(7) ?
C18 C17 3_666 1.524(8) ?
C18 H18A . 0.970 ?
C18 H18B . 0.970 ?
C19 N3 . 1.304(6) ?
C19 N2 . 1.331(6) ?
C19 H19 . 0.930 ?
C20 C21 . 1.341(7) ?
C20 N3 . 1.366(6) ?
C20 H20 . 0.930 ?
C21 N2 . 1.341(7) ?
C21 H21 . 0.930 ?
C22 O3A . 1.14(4) ?
C22 O2 . 1.249(7) ?
C22 O3B . 1.263(18) ?
C22 C23 . 1.509(8) ?
C23 H23A . 0.960 ?
C23 H23B . 0.960 ?
C23 H23C . 0.960 ?
N1 Cu1 . 1.957(4) y
N3 Cu1 . 1.989(4) y
O1 Cu1 . 1.910(3) y
O2 Cu1 . 1.966(3) y
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_site_symmetry_4
_geom_torsion
O1 C1 C2 C3 . . -179.9(4)
C6 C1 C2 C3 . . 0.5(6)
O1 C1 C2 C7 . . 2.7(7)
C6 C1 C2 C7 . . -176.9(4)
C1 C2 C3 C4 . . -2.5(7)
C7 C2 C3 C4 . . 175.1(4)
C2 C3 C4 C5 . . 2.3(7)
C2 C3 C4 C8 . . -177.9(5)
C3 C4 C5 C6 . . -0.1(7)
C8 C4 C5 C6 . . -179.9(5)
C4 C5 C6 C1 . . -1.8(7)
C4 C5 C6 C12 . . 176.1(5)
O1 C1 C6 C5 . . -178.2(4)
C2 C1 C6 C5 . . 1.5(6)
O1 C1 C6 C12 . . 4.0(7)
C2 C1 C6 C12 . . -176.4(4)
C3 C2 C7 N1 . . -174.9(5)
C1 C2 C7 N1 . . 2.6(8)
C3 C4 C8 C11 . . -119.3(7)
C5 C4 C8 C11 . . 60.5(7)
C3 C4 C8 C10 . . 117.7(6)
C5 C4 C8 C10 . . -62.5(7)
C3 C4 C8 C9 . . -1.1(8)
C5 C4 C8 C9 . . 178.7(6)
C5 C6 C12 C14 . . 123.9(5)
C1 C6 C12 C14 . . -58.3(7)
C5 C6 C12 C15 . . -113.7(5)
C1 C6 C12 C15 . . 64.1(6)
C5 C6 C12 C13 . . 4.6(8)
C1 C6 C12 C13 . . -177.6(5)
N1 C16 C17 C18 . 3_666 -63.0(6)
N3 C20 C21 N2 . . 0.3(7)
C2 C7 N1 C16 . . 179.6(5)
C2 C7 N1 Cu1 . . 0.8(7)
C17 C16 N1 C7 . . 116.9(5)
C17 C16 N1 Cu1 . . -64.3(5)
N3 C19 N2 C21 . . 0.8(7)
N3 C19 N2 C18 . . 179.1(5)
C20 C21 N2 C19 . . -0.7(7)
C20 C21 N2 C18 . . -178.9(5)
C17 C18 N2 C19 3_666 . -62.9(7)
C17 C18 N2 C21 3_666 . 115.0(6)
N2 C19 N3 C20 . . -0.7(6)
N2 C19 N3 Cu1 . . -176.3(4)
C21 C20 N3 C19 . . 0.2(6)
C21 C20 N3 Cu1 . . 175.6(4)
C2 C1 O1 Cu1 . . -11.4(6)
C6 C1 O1 Cu1 . . 168.3(3)
O3A C22 O2 Cu1 . . -26(2)
O3B C22 O2 Cu1 . . 12.5(16)
C23 C22 O2 Cu1 . . -179.2(5)
C1 O1 Cu1 N1 . . 11.6(4)
C1 O1 Cu1 O2 . . -108.6(7)
C1 O1 Cu1 N3 . . 172.3(4)
C7 N1 Cu1 O1 . . -6.0(4)
C16 N1 Cu1 O1 . . 175.3(4)
C7 N1 Cu1 O2 . . 161.9(4)
C16 N1 Cu1 O2 . . -16.9(4)
C7 N1 Cu1 N3 . . -103.0(6)
C16 N1 Cu1 N3 . . 78.3(6)
C22 O2 Cu1 O1 . . 33.7(8)
C22 O2 Cu1 N1 . . -86.3(4)
C22 O2 Cu1 N3 . . 113.0(4)
C19 N3 Cu1 O1 . . -6.0(5)
C20 N3 Cu1 O1 . . 179.6(5)
C19 N3 Cu1 N1 . . 91.6(7)
C20 N3 Cu1 N1 . . -82.9(7)
C19 N3 Cu1 O2 . . -172.2(5)
C20 N3 Cu1 O2 . . 13.3(5)
