#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:41:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179858 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/54/7015464.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_7015464
loop_
_publ_author_name
'Kolychev, Eugene L.'
'Shuntikov, Viacheslav V.'
'Khrustalev, Victor N.'
'Bush, Alexander A.'
'Nechaev, Mikhail S.'
_publ_section_title
;
 Dual reactivity of N-heterocyclic carbenes towards copper(II) salts.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3074
_journal_page_last               3076
_journal_paper_doi               10.1039/c0dt01630f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C26 H34 Cu N2 O4'
_chemical_formula_sum            'C26 H34 Cu N2 O4'
_chemical_formula_weight         502.09
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_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                 134.8860(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.7798(11)
_cell_length_b                   8.8383(4)
_cell_length_c                   16.8227(14)
_cell_measurement_reflns_used    3463
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.72
_cell_measurement_theta_min      2.42
_cell_volume                     2505.1(3)
_computing_cell_refinement       'SAINTPlus, v. 6.2 (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINTPlus, v. 6.2 (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL, v. 6.12 (Sheldrick, 2001)'
_computing_publication_material  'SHELXTL, v. 6.12 (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXTL, v. 6.12 (Sheldrick, 2001)'
_computing_structure_solution    'SHELXTL, v. 6.12 (Sheldrick, 2001)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11686
_diffrn_reflns_theta_full        26.08
_diffrn_reflns_theta_max         26.08
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    0.905
_exptl_absorpt_correction_T_max  0.982
_exptl_absorpt_correction_T_min  0.840
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2003)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1060
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.842
_refine_diff_density_min         -0.618
_refine_diff_density_rms         0.094
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.26(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_reflns         4837
_refine_ls_number_restraints     101
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0963
_refine_ls_R_factor_gt           0.0757
_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)+(0.073P)²+47P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1762
_refine_ls_wR_factor_ref         0.1994
_reflns_number_gt                4104
_reflns_number_total             4837
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c0dt01630f.txt
_cod_data_source_block           KE-125
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7015464
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
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 0.07445(11) 0.12809(7) 0.23854(17) 0.0192(2) Uani 1 1 d D . .
O1 O -0.04013(19) 0.0918(6) 0.1261(4) 0.0218(5) Uani 1 1 d D . .
O2 O 0.0240(2) -0.0479(6) 0.1054(4) 0.0218(5) Uani 1 1 d D . .
O3 O 0.1890(2) 0.0877(6) 0.3521(4) 0.0218(5) Uani 1 1 d D . .
O4 O 0.1224(3) -0.0493(6) 0.3696(4) 0.0218(5) Uani 1 1 d D . .
N1 N 0.04241(13) 0.4356(3) 0.15143(14) 0.0277(7) Uani 1 1 d D . .
N2 N 0.08870(12) 0.4219(3) 0.32571(13) 0.0277(7) Uani 1 1 d D . .
C1 C 0.06766(5) 0.3516(3) 0.23785(13) 0.0277(7) Uani 1 1 d D . .
C2 C 0.03638(18) 0.6020(3) 0.1473(2) 0.0277(7) Uani 1 1 d D . .
H2A H -0.0069 0.6363 0.0686 0.033 Uiso 1 1 calc R . .
H2B H 0.0867 0.6479 0.1789 0.033 Uiso 1 1 calc R . .
C3 C 0.0192(3) 0.6508(5) 0.2160(3) 0.0277(7) Uani 1 1 d D . .
H3A H 0.0175 0.7625 0.2182 0.033 Uiso 1 1 calc R . .
H3B H -0.0326 0.6101 0.1819 0.033 Uiso 1 1 calc R . .
C4 C 0.08620(17) 0.5877(3) 0.3349(2) 0.0277(7) Uani 1 1 d D . .
H4A H 0.1376 0.6334 0.3706 0.033 Uiso 1 1 calc R . .
H4B H 0.0761 0.6116 0.3814 0.033 Uiso 1 1 calc R . .
C5 C 0.01698(16) 0.3605(3) 0.05431(17) 0.0258(7) Uani 1 1 d D . .
C6 C 0.07242(18) 0.3154(4) 0.0536(3) 0.0258(7) Uani 1 1 d D . .
C7 C 0.0461(2) 0.2435(5) -0.0411(3) 0.0258(7) Uani 1 1 d D . .
H7A H 0.0835 0.2120 -0.0425 0.031 Uiso 1 1 calc R . .
C8 C -0.0342(2) 0.2167(4) -0.1338(3) 0.0258(7) Uani 1 1 d D . .
C9 C -0.0886(2) 0.2632(5) -0.1308(3) 0.0258(7) Uani 1 1 d D . .
H9A H -0.1436 0.2453 -0.1939 0.031 Uiso 1 1 calc R . .
C10 C -0.06388(16) 0.3352(4) -0.0374(2) 0.0258(7) Uani 1 1 d D . .
C11 C 0.16046(19) 0.3423(7) 0.1527(4) 0.0341(12) Uani 1 1 d D . .
H11A H 0.1884 0.3214 0.1306 0.051 Uiso 1 1 calc R . .
H11B H 0.1806 0.2751 0.2145 0.051 Uiso 1 1 calc R . .
H11C H 0.1694 0.4478 0.1771 0.051 Uiso 1 1 calc R . .
C12 C -0.0619(3) 0.1382(6) -0.2362(3) 0.0341(12) Uani 1 1 d D . .
H12A H -0.0173 0.0840 -0.2159 0.051 Uiso 1 1 calc R . .
H12B H -0.0823 0.2135 -0.2941 0.051 Uiso 1 1 calc R . .
H12C H -0.1041 0.0661 -0.2651 0.051 Uiso 1 1 calc R . .
C13 C -0.1236(3) 0.3851(7) -0.0353(5) 0.0341(12) Uani 1 1 d D . .
H13A H -0.1769 0.3540 -0.1050 0.051 Uiso 1 1 calc R . .
H13B H -0.1218 0.4955 -0.0281 0.051 Uiso 1 1 calc R . .
H13C H -0.1108 0.3382 0.0287 0.051 Uiso 1 1 calc R . .
C14 C 0.12855(15) 0.3381(3) 0.42762(15) 0.0253(7) Uani 1 1 d D . .
C15 C 0.08275(18) 0.2685(4) 0.4402(2) 0.0253(7) Uani 1 1 d D . .
C16 C 0.1207(2) 0.1880(4) 0.5378(3) 0.0253(7) Uani 1 1 d D . .
H16A H 0.0900 0.1401 0.5473 0.030 Uiso 1 1 calc R . .
C17 C 0.2029(2) 0.1764(4) 0.6219(3) 0.0253(7) Uani 1 1 d D . .
C18 C 0.2471(2) 0.2469(5) 0.6071(2) 0.0253(7) Uani 1 1 d D . .
H18A H 0.3034 0.2395 0.6642 0.030 Uiso 1 1 calc R . .
C19 C 0.21067(15) 0.3283(4) 0.5102(2) 0.0253(7) Uani 1 1 d D . .
C20 C -0.00687(19) 0.2784(7) 0.3508(4) 0.0378(12) Uani 1 1 d D . .
H20A H -0.0270 0.2566 0.3842 0.057 Uiso 1 1 calc R . .
H20B H -0.0285 0.2045 0.2916 0.057 Uiso 1 1 calc R . .
H20C H -0.0232 0.3804 0.3186 0.057 Uiso 1 1 calc R . .
C21 C 0.2437(4) 0.0882(6) 0.7280(3) 0.0378(12) Uani 1 1 d D . .
H21A H 0.2730 0.1581 0.7916 0.057 Uiso 1 1 calc R . .
H21B H 0.2806 0.0152 0.7413 0.057 Uiso 1 1 calc R . .
H21C H 0.2038 0.0342 0.7197 0.057 Uiso 1 1 calc R . .
C22 C 0.2616(3) 0.4029(7) 0.4982(5) 0.0378(12) Uani 1 1 d D . .
H22A H 0.2417 0.3759 0.4255 0.057 Uiso 1 1 calc R . .
H22B H 0.3165 0.3683 0.5586 0.057 Uiso 1 1 calc R . .
H22C H 0.2595 0.5130 0.5028 0.057 Uiso 1 1 calc R . .
C23 C -0.0382(2) -0.0100(5) 0.0725(3) 0.0235(7) Uani 1 1 d D . .
C24 C -0.1146(3) -0.0794(9) -0.0311(5) 0.0235(7) Uani 1 1 d D . .
H24A H -0.1038 -0.1531 -0.0624 0.035 Uiso 1 1 calc R . .
H24B H -0.1497 0.0000 -0.0866 0.035 Uiso 1 1 calc R . .
H24C H -0.1404 -0.1304 -0.0120 0.035 Uiso 1 1 calc R . .
C25 C 0.1852(2) -0.0148(5) 0.4034(3) 0.0235(7) Uani 1 1 d D . .
C26 C 0.2602(3) -0.0903(9) 0.5054(5) 0.0235(7) Uani 1 1 d D . .
H26A H 0.2561 -0.1137 0.5581 0.035 Uiso 1 1 calc R . .
H26B H 0.3053 -0.0224 0.5415 0.035 Uiso 1 1 calc R . .
H26C H 0.2681 -0.1841 0.4833 0.035 Uiso 1 1 calc R . .
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Cu1 O3 160.1(2) . . ?
O1 Cu1 C1 96.1(2) . . ?
O3 Cu1 C1 103.8(2) . . ?
O1 Cu1 O4 103.3(2) . . ?
O3 Cu1 O4 61.6(3) . . ?
C1 Cu1 O4 133.0(2) . . ?
O1 Cu1 O2 61.6(2) . . ?
O3 Cu1 O2 104.0(2) . . ?
C1 Cu1 O2 134.3(2) . . ?
O4 Cu1 O2 92.2(2) . . ?
C23 O1 Cu1 94.4(4) . . ?
C23 O2 Cu1 83.4(4) . . ?
C25 O3 Cu1 94.3(4) . . ?
C25 O4 Cu1 83.6(4) . . ?
C1 N1 C5 118.9(2) . . ?
C1 N1 C2 124.0(2) . . ?
C5 N1 C2 117.1(2) . . ?
C1 N2 C14 119.6(2) . . ?
C1 N2 C4 124.5(2) . . ?
C14 N2 C4 115.1(2) . . ?
N2 C1 N1 118.3(2) . . ?
N2 C1 Cu1 119.6(2) . . ?
N1 C1 Cu1 122.1(2) . . ?
N1 C2 C3 108.2(2) . . ?
N1 C2 H2A 110.1 . . ?
C3 C2 H2A 110.1 . . ?
N1 C2 H2B 110.1 . . ?
C3 C2 H2B 110.1 . . ?
H2A C2 H2B 108.4 . . ?
C4 C3 C2 107.2(2) . . ?
C4 C3 H3A 110.3 . . ?
C2 C3 H3A 110.3 . . ?
C4 C3 H3B 110.3 . . ?
C2 C3 H3B 110.3 . . ?
H3A C3 H3B 108.5 . . ?
N2 C4 C3 107.8(2) . . ?
N2 C4 H4A 110.1 . . ?
C3 C4 H4A 110.1 . . ?
N2 C4 H4B 110.1 . . ?
C3 C4 H4B 110.1 . . ?
H4A C4 H4B 108.5 . . ?
C6 C5 C10 121.5(2) . . ?
C6 C5 N1 120.1(2) . . ?
C10 C5 N1 118.5(2) . . ?
C5 C6 C7 118.7(4) . . ?
C5 C6 C11 122.0(2) . . ?
C7 C6 C11 119.3(5) . . ?
C6 C7 C8 121.0(5) . . ?
C6 C7 H7A 119.4 . . ?
C8 C7 H7A 119.4 . . ?
C7 C8 C9 119.0(4) . . ?
C7 C8 C12 120.4(5) . . ?
C9 C8 C12 120.6(2) . . ?
C10 C9 C8 121.0(2) . . ?
C10 C9 H9A 119.5 . . ?
C8 C9 H9A 119.5 . . ?
C9 C10 C5 118.8(4) . . ?
C9 C10 C13 120.5(2) . . ?
C5 C10 C13 120.8(2) . . ?
C6 C11 H11A 109.5 . . ?
C6 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C6 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C19 C14 C15 121.35(18) . . ?
C19 C14 N2 120.1(2) . . ?
C15 C14 N2 118.6(2) . . ?
C16 C15 C14 118.8(4) . . ?
C16 C15 C20 119.3(5) . . ?
C14 C15 C20 121.9(4) . . ?
C15 C16 C17 121.0(5) . . ?
C15 C16 H16A 119.4 . . ?
C17 C16 H16A 119.4 . . ?
C18 C17 C16 118.90(19) . . ?
C18 C17 C21 120.4(5) . . ?
C16 C17 C21 120.6(6) . . ?
C17 C18 C19 121.2(2) . . ?
C17 C18 H18A 119.4 . . ?
C19 C18 H18A 119.4 . . ?
C14 C19 C18 118.6(2) . . ?
C14 C19 C22 122.2(2) . . ?
C18 C19 C22 119.1(2) . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O2 C23 O1 120.5(5) . . ?
O2 C23 C24 120.6(5) . . ?
O1 C23 C24 118.9(6) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O4 C25 O3 120.6(5) . . ?
O4 C25 C26 120.3(3) . . ?
O3 C25 C26 119.1(6) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
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 O1 1.957(3) . ?
Cu1 O3 1.962(3) . ?
Cu1 C1 1.981(3) . ?
Cu1 O4 2.252(3) . ?
Cu1 O2 2.254(3) . ?
O1 C23 1.297(7) . ?
O2 C23 1.205(9) . ?
O3 C25 1.298(7) . ?
O4 C25 1.203(10) . ?
N1 C1 1.339(5) . ?
N1 C5 1.443(5) . ?
N1 C2 1.475(4) . ?
N2 C1 1.333(4) . ?
N2 C14 1.447(5) . ?
N2 C4 1.478(4) . ?
C2 C3 1.535(8) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.533(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.385(7) . ?
C5 C10 1.393(5) . ?
C6 C7 1.388(6) . ?
C6 C11 1.514(7) . ?
C7 C8 1.390(6) . ?
C7 H7A 0.9500 . ?
C8 C9 1.392(8) . ?
C8 C12 1.510(6) . ?
C9 C10 1.384(5) . ?
C9 H9A 0.9500 . ?
C10 C13 1.511(10) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C19 1.386(5) . ?
C14 C15 1.391(6) . ?
C15 C16 1.387(5) . ?
C15 C20 1.512(7) . ?
C16 C17 1.389(7) . ?
C16 H16A 0.9500 . ?
C17 C18 1.387(8) . ?
C17 C21 1.513(6) . ?
C18 C19 1.390(5) . ?
C18 H18A 0.9500 . ?
C19 C22 1.512(10) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.498(8) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.500(8) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 Cu1 O1 C23 -48.1(10) . . . . ?
C1 Cu1 O1 C23 136.7(3) . . . . ?
O4 Cu1 O1 C23 -86.4(3) . . . . ?
O2 Cu1 O1 C23 -1.07(18) . . . . ?
O1 Cu1 O2 C23 1.2(2) . . . . ?
O3 Cu1 O2 C23 166.3(3) . . . . ?
C1 Cu1 O2 C23 -67.8(3) . . . . ?
O4 Cu1 O2 C23 105.0(3) . . . . ?
O1 Cu1 O3 C25 -43.8(10) . . . . ?
C1 Cu1 O3 C25 131.3(3) . . . . ?
O4 Cu1 O3 C25 -0.48(18) . . . . ?
O2 Cu1 O3 C25 -85.4(3) . . . . ?
O1 Cu1 O4 C25 166.6(3) . . . . ?
O3 Cu1 O4 C25 0.52(19) . . . . ?
C1 Cu1 O4 C25 -81.8(3) . . . . ?
O2 Cu1 O4 C25 105.2(3) . . . . ?
C14 N2 C1 N1 -169.6(2) . . . . ?
C14 N2 C1 Cu1 10.4(2) . . . . ?
C5 N1 C1 N2 -178.0(2) . . . . ?
C5 N1 C1 Cu1 2.0(2) . . . . ?
O1 Cu1 C1 N2 108.4(2) . . . . ?
O3 Cu1 C1 N2 -69.94(19) . . . . ?
O4 Cu1 C1 N2 -6.2(4) . . . . ?
O2 Cu1 C1 N2 164.1(2) . . . . ?
C23 Cu1 C1 N2 132.91(16) . . . . ?
C25 Cu1 C1 N2 -41.57(17) . . . . ?
O1 Cu1 C1 N1 -71.6(2) . . . . ?
O3 Cu1 C1 N1 110.06(19) . . . . ?
O4 Cu1 C1 N1 173.9(4) . . . . ?
O2 Cu1 C1 N1 -15.9(2) . . . . ?
C23 Cu1 C1 N1 -47.08(16) . . . . ?
C25 Cu1 C1 N1 138.44(17) . . . . ?
C1 N1 C2 C3 -29.9(5) . . . . ?
C5 N1 C2 C3 148.1(3) . . . . ?
N1 C2 C3 C4 57.0(4) . . . . ?
C1 N2 C4 C3 29.8(6) . . . . ?
C14 N2 C4 C3 -160.1(3) . . . . ?
C2 C3 C4 N2 -56.7(4) . . . . ?
C1 N1 C5 C6 -83.0(2) . . . . ?
C2 N1 C5 C6 98.9(4) . . . . ?
C1 N1 C5 C10 97.0(2) . . . . ?
C2 N1 C5 C10 -81.1(4) . . . . ?
C1 N2 C14 C19 89.7(2) . . . . ?
C4 N2 C14 C19 -80.9(4) . . . . ?
C1 N2 C14 C15 -90.4(2) . . . . ?
C4 N2 C14 C15 99.1(4) . . . . ?
Cu1 O2 C23 O1 -1.8(3) . . . . ?
Cu1 O2 C23 C24 178.2(3) . . . . ?
Cu1 O1 C23 O2 2.1(4) . . . . ?
Cu1 O1 C23 C24 -177.9(4) . . . . ?
Cu1 O4 C25 O3 -0.8(3) . . . . ?
Cu1 O4 C25 C26 179.2(3) . . . . ?
Cu1 O3 C25 O4 0.9(3) . . . . ?
Cu1 O3 C25 C26 -179.1(3) . . . . ?
