#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/46/2224605.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_2224605
loop_
_publ_author_name
'Niu, Meiju'
'Fan, Shumei'
'Liu, Kai'
'Cao, Zhiqiang'
'Wang, Daqi'
_publ_section_title
;[5,5'-Dihydroxy-2,2'-[o-phenylenebis(nitrilomethylidyne)]diphenolato]copper(II)
 methanol disolvate
;
_journal_coeditor_code           CV2670
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m77
_journal_paper_doi               10.1107/S1600536809053720
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu (C20 H14 N2 O4)], 2C H4 O'
_chemical_formula_moiety         'C20 H14 N2 Cu O4, 2(C H4 O)'
_chemical_formula_sum            'C22 H22 Cu N2 O6'
_chemical_formula_weight         473.96
_chemical_name_systematic
;
[5,5'-Dihydroxy-2,2'-[o-
phenylenebis(nitrilomethylidyne)]diphenolato}copper(II) methanol disolvate
;
_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                91.796(2)
_cell_angle_beta                 94.604(3)
_cell_angle_gamma                94.241(3)
_cell_formula_units_Z            2
_cell_length_a                   7.9520(17)
_cell_length_b                   11.066(2)
_cell_length_c                   11.870(2)
_cell_measurement_reflns_used    2490
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.422
_cell_measurement_theta_min      2.478
_cell_volume                     1037.6(3)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART 1000 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  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5360
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    1.095
_exptl_absorpt_correction_T_max  0.8026
_exptl_absorpt_correction_T_min  0.5945
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             490
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.461
_refine_diff_density_min         -0.356
_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     280
_refine_ls_number_reflns         3592
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0366
_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)+(0.0446P)²+0.5623P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0873
_refine_ls_wR_factor_ref         0.0988
_reflns_number_gt                2873
_reflns_number_total             3592
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            cv2670.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1037.6(4)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               2224605
_cod_database_fobs_code          2224605
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_disorder_assembly
_atom_site_disorder_group
Cu Cu1 0.84950(4) 0.91865(3) 0.07516(3) 0.03348(14) Uani d . 1 . .
N N1 0.7711(3) 0.9467(2) -0.07955(19) 0.0322(5) Uani d . 1 . .
N N2 0.9482(3) 0.7807(2) 0.00880(19) 0.0317(5) Uani d . 1 . .
O O1 0.7530(2) 1.05584(16) 0.13697(16) 0.0356(5) Uani d . 1 . .
O O2 0.4653(3) 1.41526(18) 0.14493(19) 0.0522(6) Uani d . 1 . .
H H2 0.4991 1.4142 0.2120 0.078 Uiso calc R 1 . .
O O3 0.9320(3) 0.89012(18) 0.22501(16) 0.0433(5) Uani d . 1 . .
O O4 1.2805(4) 0.7377(2) 0.52128(19) 0.0724(8) Uani d . 1 . .
H H4 1.2474 0.7960 0.5551 0.109 Uiso calc R 1 . .
O O5 0.6076(4) 0.4576(2) 0.3584(2) 0.0780(8) Uani d . 1 . .
H H5 0.6454 0.4010 0.3927 0.117 Uiso calc R 1 . .
O O6 0.7454(6) 1.0573(3) 0.3705(3) 0.1286(17) Uani d . 1 . .
H H6 0.8050 1.0433 0.3191 0.193 Uiso calc R 1 . .
C C1 0.8192(4) 0.8588(3) -0.1582(2) 0.0374(7) Uani d . 1 . .
C C2 0.9139(4) 0.7681(3) -0.1106(3) 0.0373(7) Uani d . 1 . .
C C3 0.9676(4) 0.6789(3) -0.1807(3) 0.0455(8) Uani d . 1 . .
H H3 1.0314 0.6191 -0.1498 0.055 Uiso calc R 1 . .
C C4 0.9275(5) 0.6780(3) -0.2961(3) 0.0581(9) Uani d . 1 . .
H H4A 0.9624 0.6170 -0.3425 0.070 Uiso calc R 1 . .
C C5 0.8358(6) 0.7674(3) -0.3423(3) 0.0670(11) Uani d . 1 . .
H H5A 0.8101 0.7672 -0.4201 0.080 Uiso calc R 1 . .
C C6 0.7815(5) 0.8574(3) -0.2742(3) 0.0561(9) Uani d . 1 . .
H H6A 0.7193 0.9174 -0.3063 0.067 Uiso calc R 1 . .
C C7 0.6728(4) 1.0312(3) -0.1095(2) 0.0351(7) Uani d . 1 . .
H H7 0.6340 1.0315 -0.1855 0.042 Uiso calc R 1 . .
C C8 0.6194(3) 1.1225(2) -0.0376(2) 0.0318(6) Uani d . 1 . .
C C9 0.6652(3) 1.1344(2) 0.0815(2) 0.0314(6) Uani d . 1 . .
C C10 0.6127(4) 1.2337(2) 0.1415(3) 0.0366(7) Uani d . 1 . .
H H10 0.6430 1.2431 0.2188 0.044 Uiso calc R 1 . .
C C11 0.5170(4) 1.3183(3) 0.0890(3) 0.0378(7) Uani d . 1 . .
C C12 0.4682(4) 1.3056(3) -0.0271(3) 0.0436(8) Uani d . 1 . .
H H12 0.4022 1.3618 -0.0624 0.052 Uiso calc R 1 . .
C C13 0.5181(4) 1.2108(3) -0.0873(3) 0.0395(7) Uani d . 1 . .
H H13 0.4849 1.2029 -0.1643 0.047 Uiso calc R 1 . .
C C14 1.0398(4) 0.7072(2) 0.0662(2) 0.0357(7) Uani d . 1 . .
H H14 1.0792 0.6432 0.0259 0.043 Uiso calc R 1 . .
C C15 1.0849(4) 0.7158(2) 0.1845(2) 0.0361(7) Uani d . 1 . .
C C16 1.0355(4) 0.8091(2) 0.2577(2) 0.0356(7) Uani d . 1 . .
C C17 1.1031(4) 0.8149(3) 0.3713(3) 0.0444(8) Uani d . 1 . .
H H17 1.0741 0.8761 0.4198 0.053 Uiso calc R 1 . .
C C18 1.2108(4) 0.7320(3) 0.4118(3) 0.0487(8) Uani d . 1 . .
C C19 1.2564(4) 0.6381(3) 0.3410(3) 0.0500(8) Uani d . 1 . .
H H19 1.3279 0.5813 0.3690 0.060 Uiso calc R 1 . .
C C20 1.1945(4) 0.6318(3) 0.2312(3) 0.0438(8) Uani d . 1 . .
H H20 1.2253 0.5696 0.1844 0.053 Uiso calc R 1 . .
C C21 0.7229(7) 0.5589(4) 0.3737(5) 0.1056(17) Uani d . 1 . .
H H21A 0.7013 0.6045 0.4404 0.158 Uiso calc R 1 . .
H H21B 0.7110 0.6087 0.3092 0.158 Uiso calc R 1 . .
H H21C 0.8358 0.5332 0.3820 0.158 Uiso calc R 1 . .
C C22 0.6689(6) 0.9506(5) 0.4033(4) 0.0857(14) Uani d . 1 . .
H H22A 0.6713 0.9513 0.4843 0.129 Uiso calc R 1 . .
H H22B 0.7282 0.8840 0.3772 0.129 Uiso calc R 1 . .
H H22C 0.5537 0.9418 0.3714 0.129 Uiso calc R 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
_geom_angle_publ_flag
O3 Cu1 O1 . . 86.42(8) ?
O3 Cu1 N1 . . 178.39(9) ?
O1 Cu1 N1 . . 94.78(9) ?
O3 Cu1 N2 . . 94.77(9) ?
O1 Cu1 N2 . . 178.65(9) ?
N1 Cu1 N2 . . 84.02(9) ?
C7 N1 C1 . . 122.4(2) ?
C7 N1 Cu1 . . 124.2(2) ?
C1 N1 Cu1 . . 113.23(18) ?
C14 N2 C2 . . 122.5(2) ?
C14 N2 Cu1 . . 124.2(2) ?
C2 N2 Cu1 . . 113.32(18) ?
C9 O1 Cu1 . . 127.17(18) ?
C11 O2 H2 . . 109.5 ?
C16 O3 Cu1 . . 127.11(18) ?
C18 O4 H4 . . 109.5 ?
C21 O5 H5 . . 109.5 ?
C22 O6 H6 . . 109.5 ?
C6 C1 C2 . . 119.5(3) ?
C6 C1 N1 . . 125.5(3) ?
C2 C1 N1 . . 115.1(2) ?
C3 C2 C1 . . 119.2(3) ?
C3 C2 N2 . . 126.4(3) ?
C1 C2 N2 . . 114.4(2) ?
C4 C3 C2 . . 120.7(3) ?
C4 C3 H3 . . 119.7 ?
C2 C3 H3 . . 119.7 ?
C5 C4 C3 . . 119.8(3) ?
C5 C4 H4A . . 120.1 ?
C3 C4 H4A . . 120.1 ?
C4 C5 C6 . . 120.5(3) ?
C4 C5 H5A . . 119.7 ?
C6 C5 H5A . . 119.7 ?
C5 C6 C1 . . 120.3(3) ?
C5 C6 H6A . . 119.9 ?
C1 C6 H6A . . 119.9 ?
N1 C7 C8 . . 126.3(3) ?
N1 C7 H7 . . 116.9 ?
C8 C7 H7 . . 116.9 ?
C7 C8 C13 . . 118.0(3) ?
C7 C8 C9 . . 124.3(3) ?
C13 C8 C9 . . 117.7(3) ?
O1 C9 C10 . . 118.7(3) ?
O1 C9 C8 . . 123.0(3) ?
C10 C9 C8 . . 118.4(2) ?
C11 C10 C9 . . 121.7(3) ?
C11 C10 H10 . . 119.2 ?
C9 C10 H10 . . 119.2 ?
O2 C11 C10 . . 122.8(3) ?
O2 C11 C12 . . 116.9(3) ?
C10 C11 C12 . . 120.3(3) ?
C13 C12 C11 . . 119.2(3) ?
C13 C12 H12 . . 120.4 ?
C11 C12 H12 . . 120.4 ?
C12 C13 C8 . . 122.7(3) ?
C12 C13 H13 . . 118.7 ?
C8 C13 H13 . . 118.7 ?
N2 C14 C15 . . 126.1(3) ?
N2 C14 H14 . . 117.0 ?
C15 C14 H14 . . 117.0 ?
C20 C15 C14 . . 118.0(3) ?
C20 C15 C16 . . 118.1(3) ?
C14 C15 C16 . . 123.7(3) ?
O3 C16 C17 . . 118.3(3) ?
O3 C16 C15 . . 123.7(3) ?
C17 C16 C15 . . 118.1(3) ?
C18 C17 C16 . . 121.4(3) ?
C18 C17 H17 . . 119.3 ?
C16 C17 H17 . . 119.3 ?
O4 C18 C17 . . 122.2(3) ?
O4 C18 C19 . . 117.1(3) ?
C17 C18 C19 . . 120.7(3) ?
C20 C19 C18 . . 118.8(3) ?
C20 C19 H19 . . 120.6 ?
C18 C19 H19 . . 120.6 ?
C19 C20 C15 . . 122.8(3) ?
C19 C20 H20 . . 118.6 ?
C15 C20 H20 . . 118.6 ?
O5 C21 H21A . . 109.5 ?
O5 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
O5 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
O6 C22 H22A . . 109.5 ?
O6 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
O6 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
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 . 1.890(2) ?
Cu1 O1 . 1.9038(19) ?
Cu1 N1 . 1.933(2) ?
Cu1 N2 . 1.941(2) ?
N1 C7 . 1.303(4) ?
N1 C1 . 1.421(4) ?
N2 C14 . 1.303(3) ?
N2 C2 . 1.422(4) ?
O1 C9 . 1.315(3) ?
O2 C11 . 1.351(4) ?
O2 H2 . 0.8200 ?
O3 C16 . 1.308(3) ?
O4 C18 . 1.368(4) ?
O4 H4 . 0.8200 ?
O5 C21 . 1.392(5) ?
O5 H5 . 0.8200 ?
O6 C22 . 1.369(6) ?
O6 H6 . 0.8200 ?
C1 C6 . 1.385(4) ?
C1 C2 . 1.405(4) ?
C2 C3 . 1.385(4) ?
C3 C4 . 1.381(5) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.374(5) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.378(5) ?
C5 H5A . 0.9300 ?
C6 H6A . 0.9300 ?
C7 C8 . 1.412(4) ?
C7 H7 . 0.9300 ?
C8 C13 . 1.425(4) ?
C8 C9 . 1.430(4) ?
C9 C10 . 1.398(4) ?
C10 C11 . 1.382(4) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.401(4) ?
C12 C13 . 1.352(4) ?
C12 H12 . 0.9300 ?
C13 H13 . 0.9300 ?
C14 C15 . 1.420(4) ?
C14 H14 . 0.9300 ?
C15 C20 . 1.416(4) ?
C15 C16 . 1.426(4) ?
C16 C17 . 1.408(4) ?
C17 C18 . 1.373(4) ?
C17 H17 . 0.9300 ?
C18 C19 . 1.402(4) ?
C19 C20 . 1.354(5) ?
C19 H19 . 0.9300 ?
C20 H20 . 0.9300 ?
C21 H21A . 0.9600 ?
C21 H21B . 0.9600 ?
C21 H21C . 0.9600 ?
C22 H22A . 0.9600 ?
C22 H22B . 0.9600 ?
C22 H22C . 0.9600 ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
C7 C9 3.185(4) . 2_675 n
C8 C14 3.232(4) . 2_775 n
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
O2 H2 O5 1_565 0.82 1.91 2.704(3) 163.0
O4 H4 O6 2_776 0.82 1.82 2.602(4) 159.2
O5 H5 O4 2_766 0.82 1.97 2.788(3) 175.8
O6 H6 O1 . 0.82 2.18 2.777(3) 129.9
O6 H6 O3 . 0.82 2.34 3.037(4) 143.9
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O3 Cu1 N1 C7 . . . . -144(3) ?
O1 Cu1 N1 C7 . . . . -5.2(2) ?
N2 Cu1 N1 C7 . . . . 175.4(2) ?
O3 Cu1 N1 C1 . . . . 42(3) ?
O1 Cu1 N1 C1 . . . . -179.98(18) ?
N2 Cu1 N1 C1 . . . . 0.65(18) ?
O3 Cu1 N2 C14 . . . . -1.3(2) ?
O1 Cu1 N2 C14 . . . . 150(4) ?
N1 Cu1 N2 C14 . . . . 177.7(2) ?
O3 Cu1 N2 C2 . . . . 179.91(18) ?
O1 Cu1 N2 C2 . . . . -28(4) ?
N1 Cu1 N2 C2 . . . . -1.15(18) ?
O3 Cu1 O1 C9 . . . . 179.2(2) ?
N1 Cu1 O1 C9 . . . . 0.3(2) ?
N2 Cu1 O1 C9 . . . . 27(4) ?
O1 Cu1 O3 C16 . . . . -172.9(2) ?
N1 Cu1 O3 C16 . . . . -34(3) ?
N2 Cu1 O3 C16 . . . . 6.5(2) ?
C7 N1 C1 C6 . . . . 5.7(5) ?
Cu1 N1 C1 C6 . . . . -179.4(3) ?
C7 N1 C1 C2 . . . . -174.9(2) ?
Cu1 N1 C1 C2 . . . . 0.0(3) ?
C6 C1 C2 C3 . . . . -0.1(4) ?
N1 C1 C2 C3 . . . . -179.5(2) ?
C6 C1 C2 N2 . . . . 178.5(3) ?
N1 C1 C2 N2 . . . . -0.9(4) ?
C14 N2 C2 C3 . . . . 1.0(4) ?
Cu1 N2 C2 C3 . . . . 179.9(2) ?
C14 N2 C2 C1 . . . . -177.4(2) ?
Cu1 N2 C2 C1 . . . . 1.4(3) ?
C1 C2 C3 C4 . . . . -0.7(5) ?
N2 C2 C3 C4 . . . . -179.0(3) ?
C2 C3 C4 C5 . . . . 1.1(5) ?
C3 C4 C5 C6 . . . . -0.9(6) ?
C4 C5 C6 C1 . . . . 0.1(6) ?
C2 C1 C6 C5 . . . . 0.3(5) ?
N1 C1 C6 C5 . . . . 179.7(3) ?
C1 N1 C7 C8 . . . . -179.6(2) ?
Cu1 N1 C7 C8 . . . . 6.1(4) ?
N1 C7 C8 C13 . . . . 177.0(3) ?
N1 C7 C8 C9 . . . . -0.8(4) ?
Cu1 O1 C9 C10 . . . . -176.41(18) ?
Cu1 O1 C9 C8 . . . . 4.1(4) ?
C7 C8 C9 O1 . . . . -4.7(4) ?
C13 C8 C9 O1 . . . . 177.5(2) ?
C7 C8 C9 C10 . . . . 175.8(3) ?
C13 C8 C9 C10 . . . . -2.0(4) ?
O1 C9 C10 C11 . . . . -178.6(2) ?
C8 C9 C10 C11 . . . . 0.9(4) ?
C9 C10 C11 O2 . . . . -179.7(3) ?
C9 C10 C11 C12 . . . . 0.7(4) ?
O2 C11 C12 C13 . . . . 179.3(3) ?
C10 C11 C12 C13 . . . . -1.0(4) ?
C11 C12 C13 C8 . . . . -0.2(5) ?
C7 C8 C13 C12 . . . . -176.3(3) ?
C9 C8 C13 C12 . . . . 1.7(4) ?
C2 N2 C14 C15 . . . . 177.7(3) ?
Cu1 N2 C14 C15 . . . . -1.1(4) ?
N2 C14 C15 C20 . . . . -176.1(3) ?
N2 C14 C15 C16 . . . . -0.5(5) ?
Cu1 O3 C16 C17 . . . . 170.0(2) ?
Cu1 O3 C16 C15 . . . . -9.4(4) ?
C20 C15 C16 O3 . . . . -178.4(3) ?
C14 C15 C16 O3 . . . . 6.0(5) ?
C20 C15 C16 C17 . . . . 2.1(4) ?
C14 C15 C16 C17 . . . . -173.5(3) ?
O3 C16 C17 C18 . . . . 179.2(3) ?
C15 C16 C17 C18 . . . . -1.3(5) ?
C16 C17 C18 O4 . . . . 178.6(3) ?
C16 C17 C18 C19 . . . . -0.3(5) ?
O4 C18 C19 C20 . . . . -177.8(3) ?
C17 C18 C19 C20 . . . . 1.1(5) ?
C18 C19 C20 C15 . . . . -0.2(5) ?
C14 C15 C20 C19 . . . . 174.4(3) ?
C16 C15 C20 C19 . . . . -1.4(5) ?
