#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/35/2203559.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_2203559
loop_
_publ_author_name
'Yang, Shi-Ping'
'Yang Hong'
'Chen, Hong-Mei'
'Zhang, Fan'
'Chen, Qiong-Qiong'
'Yu, Xi-Bin'
_publ_section_title
;
 A trinuclear copper complex, [Cu₃L₂](ClO₄)₂, where
 H₂L is 1,3-bis(2-hydroxybenzoylimino)propane
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m582
_journal_page_last               m584
_journal_paper_doi               10.1107/S1600536804008293
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cu3 (C17 N2 H16 O2)2] (Cl O4)2'
_chemical_formula_moiety         'C34 H32 Cl2 Cu3 N4 O12'
_chemical_formula_sum            'C34 H32 Cl2 Cu3 N4 O12'
_chemical_formula_weight         950.19
_chemical_name_systematic
;
bis[μ-1,3-bis(2-hydroxylbenzoylimino)propane]tricopper(II) bis(perchlorate)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 103.161(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.8249(10)
_cell_length_b                   11.9200(13)
_cell_length_c                   17.2030(19)
_cell_measurement_reflns_used    4098
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.31
_cell_measurement_theta_min      2
_cell_volume                     1762.1(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction
;
SAINT (Bruker, 1998) and SHELXTL (Bruker, 1998)
;
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0610
_diffrn_reflns_av_sigmaI/netI    0.0901
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10495
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.018
_exptl_absorpt_correction_T_max  0.899
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             962
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.616
_refine_diff_density_min         -0.391
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         4099
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0530
_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)+(0.0367P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0995
_refine_ls_wR_factor_ref         0.1104
_reflns_number_gt                2716
_reflns_number_total             4099
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ci6353.cif
_cod_data_source_block           I
_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 1527 2010-12-29 10:47:43Z saulius 

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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2203559
_cod_database_fobs_code          2203559
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_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_type_symbol
Cu1 0.82135(6) 0.17767(4) 0.05775(3) 0.03302(17) Uani d . 1 Cu
Cu2 1.0000 0.0000 0.0000 0.0316(2) Uani d S 1 Cu
O1 0.9814(3) 0.0683(2) 0.09910(17) 0.0350(7) Uani d . 1 O
O2 0.7888(3) 0.0671(2) -0.02754(17) 0.0344(7) Uani d . 1 O
N1 0.9020(4) 0.2777(3) 0.1471(2) 0.0387(9) Uani d . 1 N
N2 0.6279(4) 0.2554(3) 0.0110(2) 0.0385(10) Uani d . 1 N
C1 1.0477(5) 0.0503(4) 0.1760(3) 0.0321(10) Uani d . 1 C
C2 1.1039(5) -0.0558(4) 0.2023(3) 0.0380(11) Uani d . 1 C
H2A 1.0908 -0.1178 0.1658 0.080 Uiso d R 1 H
C3 1.1779(6) -0.0717(4) 0.2805(3) 0.0472(13) Uani d . 1 C
H3A 1.2124 -0.1456 0.2985 0.080 Uiso d R 1 H
C4 1.2049(6) 0.0168(5) 0.3348(3) 0.0573(15) Uani d . 1 C
H4B 1.2620 0.0056 0.3888 0.080 Uiso d R 1 H
C5 1.1470(6) 0.1201(4) 0.3091(3) 0.0508(13) Uani d . 1 C
H5A 1.1651 0.1819 0.3458 0.080 Uiso d R 1 H
C6 1.0634(5) 0.1384(4) 0.2310(3) 0.0356(11) Uani d . 1 C
C7 0.9965(5) 0.2483(4) 0.2110(3) 0.0402(12) Uani d . 1 C
H7A 1.0274 0.3058 0.2505 0.080 Uiso d R 1 H
C8 0.8517(6) 0.3961(4) 0.1390(3) 0.0509(14) Uani d . 1 C
H8A 0.8914 0.4312 0.0975 0.080 Uiso d R 1 H
H8B 0.8930 0.4354 0.1880 0.080 Uiso d R 1 H
C9 0.6777(6) 0.4039(4) 0.1191(3) 0.0548(15) Uani d . 1 C
H9A 0.6486 0.4793 0.1288 0.080 Uiso d R 1 H
H9B 0.6379 0.3553 0.1542 0.080 Uiso d R 1 H
C10 0.6032(6) 0.3733(4) 0.0338(3) 0.0521(14) Uani d . 1 C
H10A 0.4932 0.3862 0.0252 0.080 Uiso d R 1 H
H10B 0.6423 0.4227 -0.0011 0.080 Uiso d R 1 H
C11 0.5184(5) 0.2096(4) -0.0404(3) 0.0409(12) Uani d . 1 C
H11A 0.4244 0.2525 -0.0561 0.080 Uiso d R 1 H
C12 0.5185(5) 0.1003(4) -0.0786(3) 0.0346(11) Uani d . 1 C
C13 0.3785(6) 0.0644(4) -0.1268(3) 0.0469(13) Uani d . 1 C
H13A 0.2875 0.1104 -0.1316 0.080 Uiso d R 1 H
C14 0.3665(6) -0.0356(4) -0.1678(3) 0.0482(13) Uani d . 1 C
H14A 0.2689 -0.0589 -0.2009 0.080 Uiso d R 1 H
C15 0.4994(6) -0.1018(4) -0.1603(3) 0.0451(12) Uani d . 1 C
H15A 0.4934 -0.1716 -0.1887 0.080 Uiso d R 1 H
C16 0.6386(5) -0.0678(4) -0.1124(3) 0.0383(11) Uani d . 1 C
H16A 0.7280 -0.1154 -0.1073 0.080 Uiso d R 1 H
C17 0.6534(5) 0.0329(4) -0.0713(2) 0.0308(10) Uani d . 1 C
Cl1 0.91122(16) -0.29566(10) 0.04110(9) 0.0531(4) Uani d D 1 Cl
O3 0.8836(4) -0.1766(3) 0.0370(2) 0.0667(11) Uani d D 1 O
O4 0.8927(7) -0.3300(4) 0.1151(4) 0.147(3) Uani d D 1 O
O5 1.0623(5) -0.3150(3) 0.0307(3) 0.0833(14) Uani d D 1 O
O6 0.8018(6) -0.3447(5) -0.0178(5) 0.184(3) Uani d D 1 O
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'
Cl Cl 0.1484 0.1585 '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
O1 Cu1 O2 . . 77.93(12) yes
O1 Cu1 N2 . . 165.97(14) yes
O2 Cu1 N2 . . 92.62(14) yes
O1 Cu1 N1 . . 90.98(14) yes
O2 Cu1 N1 . . 167.22(14) yes
N2 Cu1 N1 . . 99.40(16) yes
O1 Cu1 Cu2 . . 40.30(8) ?
O2 Cu1 Cu2 . . 41.96(8) ?
N2 Cu1 Cu2 . . 133.54(12) ?
N1 Cu1 Cu2 . . 125.38(11) ?
O1 Cu2 O1 3_755 . 180.0 yes
O1 Cu2 O2 3_755 . 102.91(12) yes
O1 Cu2 O2 . . 77.09(12) yes
O1 Cu2 O2 3_755 3_755 77.09(12) yes
O1 Cu2 O2 . 3_755 102.91(12) ?
O2 Cu2 O2 . 3_755 180.0 yes
O1 Cu2 Cu1 3_755 3_755 40.42(8) ?
O1 Cu2 Cu1 . 3_755 139.58(8) ?
O2 Cu2 Cu1 . 3_755 139.07(8) ?
O2 Cu2 Cu1 3_755 3_755 40.93(8) ?
O1 Cu2 Cu1 3_755 . 139.58(8) ?
O1 Cu2 Cu1 . . 40.42(8) ?
O2 Cu2 Cu1 . . 40.93(8) ?
O2 Cu2 Cu1 3_755 . 139.07(8) ?
Cu1 Cu2 Cu1 3_755 . 180.0 yes
C1 O1 Cu2 . . 134.5(3) ?
C1 O1 Cu1 . . 126.2(2) ?
Cu2 O1 Cu1 . . 99.28(13) ?
C17 O2 Cu1 . . 126.7(3) ?
C17 O2 Cu2 . . 133.6(3) ?
Cu1 O2 Cu2 . . 97.11(13) ?
C7 N1 C8 . . 118.1(4) ?
C7 N1 Cu1 . . 124.4(3) ?
C8 N1 Cu1 . . 117.6(3) ?
C11 N2 C10 . . 117.0(4) ?
C11 N2 Cu1 . . 122.5(3) ?
C10 N2 Cu1 . . 120.5(3) ?
O1 C1 C2 . . 120.6(4) ?
O1 C1 C6 . . 120.2(4) ?
C2 C1 C6 . . 119.2(4) ?
C3 C2 C1 . . 120.0(4) ?
C3 C2 H2A . . 119.7 ?
C1 C2 H2A . . 120.3 ?
C2 C3 C4 . . 121.6(5) ?
C2 C3 H3A . . 119.4 ?
C4 C3 H3A . . 119.0 ?
C5 C4 C3 . . 118.1(5) ?
C5 C4 H4B . . 120.9 ?
C3 C4 H4B . . 121.0 ?
C4 C5 C6 . . 121.9(5) ?
C4 C5 H5A . . 118.9 ?
C6 C5 H5A . . 119.1 ?
C5 C6 C1 . . 118.9(4) ?
C5 C6 C7 . . 117.9(4) ?
C1 C6 C7 . . 123.2(4) ?
N1 C7 C6 . . 127.5(4) ?
N1 C7 H7A . . 116.2 ?
C6 C7 H7A . . 116.3 ?
N1 C8 C9 . . 110.6(4) ?
N1 C8 H8A . . 109.5 ?
C9 C8 H8A . . 109.3 ?
N1 C8 H8B . . 109.8 ?
C9 C8 H8B . . 109.6 ?
H8A C8 H8B . . 108.0 ?
C8 C9 C10 . . 113.9(4) ?
C8 C9 H9A . . 108.6 ?
C10 C9 H9A . . 108.8 ?
C8 C9 H9B . . 108.7 ?
C10 C9 H9B . . 109.0 ?
H9A C9 H9B . . 107.7 ?
N2 C10 C9 . . 115.3(4) ?
N2 C10 H10A . . 108.3 ?
C9 C10 H10A . . 108.2 ?
N2 C10 H10B . . 108.6 ?
C9 C10 H10B . . 108.7 ?
H10A C10 H10B . . 107.5 ?
N2 C11 C12 . . 128.1(4) ?
N2 C11 H11A . . 115.9 ?
C12 C11 H11A . . 116.0 ?
C13 C12 C17 . . 119.5(4) ?
C13 C12 C11 . . 116.9(4) ?
C17 C12 C11 . . 123.5(4) ?
C14 C13 C12 . . 121.7(5) ?
C14 C13 H13A . . 119.1 ?
C12 C13 H13A . . 119.2 ?
C13 C14 C15 . . 118.6(5) ?
C13 C14 H14A . . 120.6 ?
C15 C14 H14A . . 120.9 ?
C16 C15 C14 . . 120.4(5) ?
C16 C15 H15A . . 119.9 ?
C14 C15 H15A . . 119.7 ?
C15 C16 C17 . . 122.0(4) ?
C15 C16 H16A . . 118.9 ?
C17 C16 H16A . . 119.1 ?
O2 C17 C16 . . 121.7(4) ?
O2 C17 C12 . . 120.5(4) ?
C16 C17 C12 . . 117.8(4) ?
O6 Cl1 O4 . . 110.2(4) ?
O6 Cl1 O5 . . 111.6(3) ?
O4 Cl1 O5 . . 112.6(3) ?
O6 Cl1 O3 . . 107.7(3) ?
O4 Cl1 O3 . . 106.4(3) ?
O5 Cl1 O3 . . 108.1(2) ?
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 O1 . 1.935(3) yes
Cu1 O2 . 1.944(3) yes
Cu1 N2 . 1.948(4) yes
Cu1 N1 . 1.948(4) yes
Cu1 Cu2 . 2.9446(5) yes
Cu2 O1 3_755 1.930(3) yes
Cu2 O1 . 1.930(3) yes
Cu2 O2 . 1.984(3) yes
Cu2 O2 3_755 1.984(3) ?
Cu2 Cu1 3_755 2.9446(5) ?
O1 C1 . 1.336(5) ?
O2 C17 . 1.323(5) ?
N1 C7 . 1.268(6) ?
N1 C8 . 1.476(5) ?
N2 C11 . 1.275(6) ?
N2 C10 . 1.488(5) ?
C1 C2 . 1.396(6) ?
C1 C6 . 1.398(6) ?
C2 C3 . 1.367(6) ?
C2 H2A . 0.96 ?
C3 C4 . 1.394(7) ?
C3 H3A . 0.96 ?
C4 C5 . 1.367(7) ?
C4 H4B . 0.96 ?
C5 C6 . 1.395(6) ?
C5 H5A . 0.96 ?
C6 C7 . 1.446(6) ?
C7 H7A . 0.96 ?
C8 C9 . 1.498(7) ?
C8 H8A . 0.96 ?
C8 H8B . 0.96 ?
C9 C10 . 1.510(7) ?
C9 H9A . 0.96 ?
C9 H9B . 0.96 ?
C10 H10A . 0.96 ?
C10 H10B . 0.96 ?
C11 C12 . 1.459(6) ?
C11 H11A . 0.96 ?
C12 C13 . 1.390(6) ?
C12 C17 . 1.418(6) ?
C13 C14 . 1.377(7) ?
C13 H13A . 0.96 ?
C14 C15 . 1.395(6) ?
C14 H14A . 0.96 ?
C15 C16 . 1.375(6) ?
C15 H15A . 0.96 ?
C16 C17 . 1.384(6) ?
C16 H16A . 0.96 ?
Cl1 O6 . 1.362(5) ?
Cl1 O4 . 1.381(5) ?
Cl1 O5 . 1.404(4) ?
Cl1 O3 . 1.439(3) ?
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 Cu1 Cu2 O1 . 3_755 180.0
O2 Cu1 Cu2 O1 . 3_755 34.11(18)
N2 Cu1 Cu2 O1 . 3_755 18.4(2)
N1 Cu1 Cu2 O1 . 3_755 -143.60(19)
O2 Cu1 Cu2 O1 . . -145.89(18)
N2 Cu1 Cu2 O1 . . -161.6(2)
N1 Cu1 Cu2 O1 . . 36.40(19)
O1 Cu1 Cu2 O2 . . 145.89(18)
N2 Cu1 Cu2 O2 . . -15.68(19)
N1 Cu1 Cu2 O2 . . -177.71(19)
O1 Cu1 Cu2 O2 . 3_755 -34.11(18)
O2 Cu1 Cu2 O2 . 3_755 180.0
N2 Cu1 Cu2 O2 . 3_755 164.32(19)
N1 Cu1 Cu2 O2 . 3_755 2.29(19)
O2 Cu2 O1 C1 . . 155.6(4)
O2 Cu2 O1 C1 3_755 . -24.4(4)
Cu1 Cu2 O1 C1 3_755 . -2.3(5)
Cu1 Cu2 O1 C1 . . 177.7(5)
O2 Cu2 O1 Cu1 . . -22.14(12)
O2 Cu2 O1 Cu1 3_755 . 157.86(12)
Cu1 Cu2 O1 Cu1 3_755 . 180.0
O2 Cu1 O1 C1 . . -155.5(3)
N2 Cu1 O1 C1 . . -107.0(6)
N1 Cu1 O1 C1 . . 30.9(3)
Cu2 Cu1 O1 C1 . . -178.0(4)
O2 Cu1 O1 Cu2 . . 22.54(12)
N2 Cu1 O1 Cu2 . . 71.0(6)
N1 Cu1 O1 Cu2 . . -151.06(15)
O1 Cu1 O2 C17 . . 141.7(3)
N2 Cu1 O2 C17 . . -27.8(3)
N1 Cu1 O2 C17 . . 172.0(6)
Cu2 Cu1 O2 C17 . . 163.5(4)
O1 Cu1 O2 Cu2 . . -21.77(12)
N2 Cu1 O2 Cu2 . . 168.69(14)
N1 Cu1 O2 Cu2 . . 8.5(7)
O1 Cu2 O2 C17 3_755 . 40.2(4)
Cu1 Cu2 O2 C17 3_755 . 18.3(4)
Cu1 Cu2 O2 C17 . . -161.7(4)
O1 Cu2 O2 Cu1 3_755 . -158.10(12)
O1 Cu2 O2 Cu1 . . 21.90(12)
Cu1 Cu2 O2 Cu1 3_755 . 180.0
O1 Cu1 N1 C7 . . -15.4(4)
O2 Cu1 N1 C7 . . -44.9(9)
N2 Cu1 N1 C7 . . 155.1(4)
Cu2 Cu1 N1 C7 . . -38.0(4)
O1 Cu1 N1 C8 . . 163.4(3)
O2 Cu1 N1 C8 . . 133.9(6)
N2 Cu1 N1 C8 . . -26.1(3)
Cu2 Cu1 N1 C8 . . 140.8(3)
O1 Cu1 N2 C11 . . -28.1(8)
O2 Cu1 N2 C11 . . 19.0(4)
N1 Cu1 N2 C11 . . -165.4(4)
Cu2 Cu1 N2 C11 . . 29.4(4)
O1 Cu1 N2 C10 . . 152.6(5)
O2 Cu1 N2 C10 . . -160.3(3)
N1 Cu1 N2 C10 . . 15.3(3)
Cu2 Cu1 N2 C10 . . -149.9(3)
Cu2 O1 C1 C2 . . -26.7(6)
Cu1 O1 C1 C2 . . 150.6(3)
Cu2 O1 C1 C6 . . 152.4(3)
Cu1 O1 C1 C6 . . -30.4(5)
O1 C1 C2 C3 . . 176.9(4)
C6 C1 C2 C3 . . -2.1(6)
C1 C2 C3 C4 . . -2.6(7)
C2 C3 C4 C5 . . 3.8(8)
C3 C4 C5 C6 . . -0.2(8)
C4 C5 C6 C1 . . -4.5(7)
C4 C5 C6 C7 . . 175.3(5)
O1 C1 C6 C5 . . -173.5(4)
C2 C1 C6 C5 . . 5.6(6)
O1 C1 C6 C7 . . 6.7(7)
C2 C1 C6 C7 . . -174.2(4)
C8 N1 C7 C6 . . -178.6(4)
Cu1 N1 C7 C6 . . 0.2(7)
C5 C6 C7 N1 . . -170.8(5)
C1 C6 C7 N1 . . 9.0(7)
C7 N1 C8 C9 . . -126.2(5)
Cu1 N1 C8 C9 . . 54.9(5)
N1 C8 C9 C10 . . -74.6(5)
C11 N2 C10 C9 . . 147.3(5)
Cu1 N2 C10 C9 . . -33.4(5)
C8 C9 C10 N2 . . 63.0(6)
C10 N2 C11 C12 . . 173.5(4)
Cu1 N2 C11 C12 . . -5.8(7)
N2 C11 C12 C13 . . 173.6(5)
N2 C11 C12 C17 . . -8.9(7)
C17 C12 C13 C14 . . 0.2(7)
C11 C12 C13 C14 . . 177.9(4)
C12 C13 C14 C15 . . -0.1(7)
C13 C14 C15 C16 . . 0.5(7)
C14 C15 C16 C17 . . -1.2(7)
Cu1 O2 C17 C16 . . -159.6(3)
Cu2 O2 C17 C16 . . -2.5(6)
Cu1 O2 C17 C12 . . 21.5(5)
Cu2 O2 C17 C12 . . 178.6(3)
C15 C16 C17 O2 . . -177.6(4)
C15 C16 C17 C12 . . 1.3(7)
C13 C12 C17 O2 . . 178.1(4)
C11 C12 C17 O2 . . 0.6(6)
C13 C12 C17 C16 . . -0.8(6)
C11 C12 C17 C16 . . -178.3(4)
