#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/71/2207180.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_2207180
loop_
_publ_author_name
'Guang-Jun Xu'
'Li Feng'
'Shi-Ping Yan'
'Dai-Zheng Liao'
'Zong-Hui Jiang'
'Peng Cheng'
_publ_section_title
;A new Schiff base--copper(II) complex:
 [N-(2-hydroxyethyl)-N'-(2-oxidobenzylidene)ethylenediamine-1κ⁴O,N,N',O'][μ-N-(2-oxidobenzylidene)-N'-(2-oxidoethyl)ethylenediamine-1κO:2κ⁴O,N,N',O']dicopper(II)
 perchlorate methanol solvate
;
_journal_coeditor_code           CI6661
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2390
_journal_page_last               m2392
_journal_paper_doi               10.1107/S1600536805033593
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac
'[Cu2 (C11 H14 N2 O2) (C11 H15 N2 O2)] Cl O4, C H4 O'
_chemical_formula_moiety         'C22 H29 Cu2 N4 O4 +, Cl O4 -, C H3 OH'
_chemical_formula_sum            'C23 H33 Cl Cu2 N4 O9'
_chemical_formula_weight         672.06
_chemical_name_systematic
;
[N-(2-hydroxyethyl)-N'-(2-oxidobenzylidene)ethylenediamine-
1κ⁴O,N,N',O'][μ-N-(2-oxidobenzylidene)-N'-(2-oxidoethyl)ethylenediamine-
1\kO:2κ⁴O,N,N',O']dicopper(II) perchlorate methanol solvate
;
_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                 100.590(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.479(3)
_cell_length_b                   15.731(4)
_cell_length_c                   14.274(4)
_cell_measurement_reflns_used    1002
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      25.82
_cell_measurement_theta_min      3.07
_cell_volume                     2754.4(12)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0360
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15671
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         1.66
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.698
_exptl_absorpt_correction_T_max  0.762
_exptl_absorpt_correction_T_min  0.568
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.792
_refine_diff_density_min         -0.432
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         5622
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.0792
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0651P)²+0.0776P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1061
_refine_ls_wR_factor_ref         0.1255
_reflns_number_gt                3994
_reflns_number_total             5622
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ci6661.cif
_cod_data_source_block           I
_cod_original_cell_volume        2754.5(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2207180
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_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
_atom_site_type_symbol
Cu1 1.07496(4) 0.22159(3) 0.27019(3) 0.03698(15) Uani d . 1 . . Cu
Cu2 0.87922(4) 0.32670(3) 0.31201(3) 0.03805(16) Uani d . 1 . . Cu
O1 0.9230(2) 0.20327(19) 0.2210(2) 0.0475(7) Uani d . 1 . . O
O2 1.1016(2) 0.3462(2) 0.18224(19) 0.0476(7) Uani d . 1 . . O
H2B 1.0367 0.3746 0.1902 0.057 Uiso d R 1 . . H
O3 0.9139(2) 0.40634(18) 0.22139(19) 0.0440(7) Uani d . 1 . . O
O4 1.0291(2) 0.29745(17) 0.36490(17) 0.0379(6) Uani d . 1 . . O
N1 1.1200(3) 0.1243(2) 0.2046(2) 0.0409(8) Uani d . 1 . . N
N2 1.2361(3) 0.2388(2) 0.3165(2) 0.0449(8) Uani d . 1 . . N
H2A 1.2524 0.2601 0.3782 0.054 Uiso d R 1 . . H
N3 0.7240(3) 0.3349(2) 0.2679(2) 0.0426(8) Uani d . 1 . . N
N4 0.8396(3) 0.2661(2) 0.4232(2) 0.0469(9) Uani d . 1 . . N
H4A 0.8318 0.3028 0.4746 0.056 Uiso d R 1 . . H
C1 0.8792(3) 0.1428(3) 0.1620(3) 0.0393(9) Uani d . 1 . . C
C2 0.7662(4) 0.1440(3) 0.1266(3) 0.0488(11) Uani d . 1 . . C
H2 0.7244 0.1880 0.1444 0.059 Uiso calc R 1 . . H
C3 0.7161(4) 0.0819(3) 0.0666(3) 0.0542(12) Uani d . 1 . . C
H3 0.6413 0.0846 0.0443 0.065 Uiso calc R 1 . . H
C4 0.7756(4) 0.0151(3) 0.0387(3) 0.0602(13) Uani d . 1 . . C
H4 0.7413 -0.0269 -0.0019 0.072 Uiso calc R 1 . . H
C5 0.8853(4) 0.0121(3) 0.0716(3) 0.0534(12) Uani d . 1 . . C
H5 0.9252 -0.0330 0.0537 0.064 Uiso calc R 1 . . H
C6 0.9401(3) 0.0759(2) 0.1323(3) 0.0380(9) Uani d . 1 . . C
C7 1.0570(4) 0.0700(3) 0.1564(3) 0.0419(10) Uani d . 1 . . C
H7 1.0894 0.0223 0.1350 0.050 Uiso calc R 1 . . H
C8 1.2395(4) 0.1138(3) 0.2160(3) 0.0535(12) Uani d . 1 . . C
H8A 1.2657 0.1399 0.1629 0.064 Uiso calc R 1 . . H
H8B 1.2582 0.0539 0.2178 0.064 Uiso calc R 1 . . H
C9 1.2911(4) 0.1563(3) 0.3085(3) 0.0569(12) Uani d . 1 . . C
H9A 1.2836 0.1201 0.3620 0.068 Uiso calc R 1 . . H
H9B 1.3681 0.1654 0.3095 0.068 Uiso calc R 1 . . H
C10 1.2789(4) 0.3079(3) 0.2608(3) 0.0573(12) Uani d . 1 . . C
H10A 1.3470 0.3295 0.2968 0.069 Uiso calc R 1 . . H
H10B 1.2932 0.2850 0.2012 0.069 Uiso calc R 1 . . H
C11 1.1982(4) 0.3787(3) 0.2407(3) 0.0525(11) Uani d . 1 . . C
H11A 1.1815 0.4006 0.2999 0.063 Uiso calc R 1 . . H
H11B 1.2281 0.4247 0.2082 0.063 Uiso calc R 1 . . H
C12 0.8454(4) 0.4375(3) 0.1476(3) 0.0416(10) Uani d . 1 . . C
C13 0.8884(4) 0.4912(3) 0.0848(3) 0.0521(11) Uani d . 1 . . C
H13 0.9624 0.5040 0.0966 0.063 Uiso calc R 1 . . H
C14 0.8214(5) 0.5252(3) 0.0054(3) 0.0630(14) Uani d . 1 . . C
H14 0.8508 0.5610 -0.0350 0.076 Uiso calc R 1 . . H
C15 0.7120(5) 0.5066(3) -0.0144(3) 0.0685(15) Uani d . 1 . . C
H15 0.6683 0.5284 -0.0689 0.082 Uiso calc R 1 . . H
C16 0.6671(4) 0.4558(3) 0.0466(3) 0.0596(13) Uani d . 1 . . C
H16 0.5927 0.4445 0.0334 0.072 Uiso calc R 1 . . H
C17 0.7318(4) 0.4205(3) 0.1287(3) 0.0428(10) Uani d . 1 . . C
C18 0.6773(4) 0.3715(3) 0.1909(3) 0.0453(10) Uani d . 1 . . C
H18 0.6021 0.3658 0.1738 0.054 Uiso calc R 1 . . H
C19 0.6594(4) 0.2907(3) 0.3293(3) 0.0568(13) Uani d . 1 . . C
H19A 0.5974 0.2625 0.2909 0.068 Uiso calc R 1 . . H
H19B 0.6326 0.3310 0.3711 0.068 Uiso calc R 1 . . H
C20 0.7335(4) 0.2264(3) 0.3872(3) 0.0602(13) Uani d . 1 . . C
H20A 0.7013 0.2067 0.4401 0.072 Uiso calc R 1 . . H
H20B 0.7431 0.1778 0.3477 0.072 Uiso calc R 1 . . H
C21 0.9328(4) 0.2115(3) 0.4622(3) 0.0563(12) Uani d . 1 . . C
H21A 0.9310 0.1597 0.4250 0.068 Uiso calc R 1 . . H
H21B 0.9303 0.1962 0.5276 0.068 Uiso calc R 1 . . H
C22 1.0345(4) 0.2609(3) 0.4577(3) 0.0472(11) Uani d . 1 . . C
H22A 1.0434 0.3056 0.5052 0.057 Uiso calc R 1 . . H
H22B 1.0973 0.2235 0.4718 0.057 Uiso calc R 1 . . H
Cl1 0.43492(10) 0.22710(9) 0.04127(9) 0.0650(4) Uani d D 1 . . Cl
O5 0.4856(4) 0.2075(3) 0.1354(3) 0.1128(16) Uani d D 1 A . O
O6 0.3248(7) 0.1999(9) 0.0176(8) 0.059(4) Uani d PD 0.352(4) A 1 O
O7 0.4242(14) 0.3244(4) 0.0538(11) 0.135(7) Uani d PD 0.352(4) A 1 O
O8 0.4937(11) 0.2162(13) -0.0304(7) 0.117(7) Uani d PD 0.352(4) A 1 O
O6A 0.3235(5) 0.2463(8) 0.0287(6) 0.070(4) Uani d PD 0.524(14) A 2 O
O7A 0.4934(10) 0.2822(9) -0.0073(8) 0.128(6) Uani d PD 0.524(14) A 2 O
O8A 0.4408(11) 0.1408(6) -0.0068(8) 0.151(6) Uani d PD 0.524(14) A 2 O
O6B 0.359(2) 0.2963(15) 0.0433(13) 0.049(9) Uani d PDU 0.124(14) A 3 O
O7B 0.5137(13) 0.2527(16) -0.0146(11) 0.042(10) Uani d PDU 0.124(14) A 3 O
O8B 0.376(2) 0.1541(12) -0.0021(12) 0.060(11) Uani d PDU 0.124(14) A 3 O
O9 0.4584(7) 0.0032(6) 0.1707(7) 0.220(4) Uani d D 1 . . O
H9 0.4521 0.0395 0.1260 0.264 Uiso d R 1 . . H
C23 0.5387(8) 0.0205(9) 0.2425(7) 0.196(7) Uani d D 1 . . C
H23A 0.5513 0.0807 0.2456 0.295 Uiso calc R 1 . . H
H23B 0.6038 -0.0081 0.2328 0.295 Uiso calc R 1 . . H
H23C 0.5194 0.0013 0.3010 0.295 Uiso calc R 1 . . H
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
_geom_angle_publ_flag
O1 Cu1 N1 93.42(13) y
O1 Cu1 O4 87.13(11) y
N1 Cu1 O4 164.18(12) y
O1 Cu1 N2 177.47(13) y
N1 Cu1 N2 84.46(15) y
O4 Cu1 N2 95.29(13) y
O1 Cu1 O2 98.92(12) y
N1 Cu1 O2 108.38(12) y
O4 Cu1 O2 87.10(11) y
N2 Cu1 O2 80.49(12) y
O3 Cu2 N3 94.26(13) y
O3 Cu2 O4 95.56(11) y
N3 Cu2 O4 169.18(13) y
O3 Cu2 N4 167.53(14) y
N3 Cu2 N4 84.87(14) y
O4 Cu2 N4 86.50(13) y
C1 O1 Cu1 127.4(3) ?
C11 O2 Cu1 99.8(2) ?
C11 O2 H2B 114.1 ?
Cu1 O2 H2B 96.8 ?
C12 O3 Cu2 126.1(3) ?
C22 O4 Cu2 109.5(2) ?
C22 O4 Cu1 114.9(2) ?
Cu2 O4 Cu1 104.96(12) ?
C7 N1 C8 119.6(4) ?
C7 N1 Cu1 126.0(3) ?
C8 N1 Cu1 114.4(3) ?
C9 N2 C10 112.3(3) ?
C9 N2 Cu1 107.8(3) ?
C10 N2 Cu1 110.7(3) ?
C9 N2 H2A 111.4 ?
C10 N2 H2A 101.7 ?
Cu1 N2 H2A 112.9 ?
C18 N3 C19 120.7(4) ?
C18 N3 Cu2 125.5(3) ?
C19 N3 Cu2 113.7(3) ?
C20 N4 C21 118.9(4) ?
C20 N4 Cu2 105.3(3) ?
C21 N4 Cu2 106.6(3) ?
C20 N4 H4A 108.3 ?
C21 N4 H4A 104.4 ?
Cu2 N4 H4A 113.5 ?
O1 C1 C2 119.3(4) ?
O1 C1 C6 123.2(4) ?
C2 C1 C6 117.5(4) ?
C3 C2 C1 121.8(4) ?
C3 C2 H2 119.1 ?
C1 C2 H2 119.1 ?
C2 C3 C4 120.8(5) ?
C2 C3 H3 119.6 ?
C4 C3 H3 119.6 ?
C5 C4 C3 118.9(4) ?
C5 C4 H4 120.5 ?
C3 C4 H4 120.5 ?
C4 C5 C6 121.8(4) ?
C4 C5 H5 119.1 ?
C6 C5 H5 119.1 ?
C1 C6 C5 119.1(4) ?
C1 C6 C7 123.7(4) ?
C5 C6 C7 117.1(4) ?
N1 C7 C6 125.7(4) ?
N1 C7 H7 117.1 ?
C6 C7 H7 117.1 ?
N1 C8 C9 107.8(3) ?
N1 C8 H8A 110.1 ?
C9 C8 H8A 110.1 ?
N1 C8 H8B 110.1 ?
C9 C8 H8B 110.1 ?
H8A C8 H8B 108.5 ?
N2 C9 C8 109.0(4) ?
N2 C9 H9A 109.9 ?
C8 C9 H9A 109.9 ?
N2 C9 H9B 109.9 ?
C8 C9 H9B 109.9 ?
H9A C9 H9B 108.3 ?
C11 C10 N2 110.4(4) ?
C11 C10 H10A 109.6 ?
N2 C10 H10A 109.6 ?
C11 C10 H10B 109.6 ?
N2 C10 H10B 109.6 ?
H10A C10 H10B 108.1 ?
O2 C11 C10 108.2(4) ?
O2 C11 H11A 110.1 ?
C10 C11 H11A 110.1 ?
O2 C11 H11B 110.1 ?
C10 C11 H11B 110.1 ?
H11A C11 H11B 108.4 ?
O3 C12 C13 117.6(4) ?
O3 C12 C17 124.0(4) ?
C13 C12 C17 118.4(4) ?
C14 C13 C12 120.6(5) ?
C14 C13 H13 119.7 ?
C12 C13 H13 119.7 ?
C15 C14 C13 120.9(5) ?
C15 C14 H14 119.5 ?
C13 C14 H14 119.5 ?
C16 C15 C14 119.9(5) ?
C16 C15 H15 120.0 ?
C14 C15 H15 120.0 ?
C15 C16 C17 121.2(5) ?
C15 C16 H16 119.4 ?
C17 C16 H16 119.4 ?
C16 C17 C12 119.0(4) ?
C16 C17 C18 117.5(4) ?
C12 C17 C18 123.5(4) ?
N3 C18 C17 125.3(4) ?
N3 C18 H18 117.3 ?
C17 C18 H18 117.3 ?
N3 C19 C20 107.1(4) ?
N3 C19 H19A 110.3 ?
C20 C19 H19A 110.3 ?
N3 C19 H19B 110.3 ?
C20 C19 H19B 110.3 ?
H19A C19 H19B 108.5 ?
N4 C20 C19 109.2(4) ?
N4 C20 H20A 109.8 ?
C19 C20 H20A 109.8 ?
N4 C20 H20B 109.8 ?
C19 C20 H20B 109.8 ?
H20A C20 H20B 108.3 ?
N4 C21 C22 107.4(4) ?
N4 C21 H21A 110.2 ?
C22 C21 H21A 110.2 ?
N4 C21 H21B 110.2 ?
C22 C21 H21B 110.2 ?
H21A C21 H21B 108.5 ?
O4 C22 C21 110.5(3) ?
O4 C22 H22A 109.5 ?
C21 C22 H22A 109.5 ?
O4 C22 H22B 109.5 ?
C21 C22 H22B 109.5 ?
H22A C22 H22B 108.1 ?
O7A Cl1 O6A 113.5(5) ?
O8 Cl1 O5 118.4(6) ?
O7A Cl1 O5 115.2(5) ?
O6A Cl1 O5 115.5(4) ?
O8 Cl1 O6 114.3(6) ?
O5 Cl1 O6 113.9(5) ?
O5 Cl1 O7B 111.0(7) ?
O5 Cl1 O8B 109.8(7) ?
O7B Cl1 O8B 109.5(8) ?
O5 Cl1 O6B 109.0(7) ?
O7B Cl1 O6B 108.7(7) ?
O8B Cl1 O6B 108.7(8) ?
O7A Cl1 O8A 104.8(6) ?
O6A Cl1 O8A 105.2(5) ?
O5 Cl1 O8A 100.5(5) ?
O8 Cl1 O7 106.1(6) ?
O5 Cl1 O7 98.0(5) ?
O6 Cl1 O7 103.0(6) ?
C23 O9 H9 113.3 ?
O9 C23 H23A 109.5 ?
O9 C23 H23B 109.5 ?
H23A C23 H23B 109.5 ?
O9 C23 H23C 109.5 ?
H23A C23 H23C 109.5 ?
H23B C23 H23C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 O1 1.920(3) y
Cu1 N1 1.931(3) y
Cu1 O4 1.966(3) y
Cu1 N2 2.017(4) y
Cu1 O2 2.384(3) y
Cu2 O3 1.907(3) y
Cu2 N3 1.928(4) y
Cu2 O4 1.939(3) y
Cu2 N4 1.991(3) y
O1 C1 1.320(5) ?
O2 C11 1.429(5) ?
O2 H2B 0.95 ?
O3 C12 1.322(5) ?
O4 C22 1.434(4) ?
N1 C7 1.274(5) ?
N1 C8 1.479(5) ?
N2 C9 1.483(6) ?
N2 C10 1.502(6) ?
N2 H2A 0.93 ?
N3 C18 1.282(5) ?
N3 C19 1.471(5) ?
N4 C20 1.468(6) ?
N4 C21 1.470(6) ?
N4 H4A 0.95 ?
C1 C2 1.409(6) ?
C1 C6 1.409(6) ?
C2 C3 1.372(6) ?
C2 H2 0.93 ?
C3 C4 1.386(7) ?
C3 H3 0.93 ?
C4 C5 1.364(7) ?
C4 H4 0.93 ?
C5 C6 1.416(6) ?
C5 H5 0.93 ?
C6 C7 1.438(6) ?
C7 H7 0.93 ?
C8 C9 1.514(6) ?
C8 H8A 0.97 ?
C8 H8B 0.97 ?
C9 H9A 0.97 ?
C9 H9B 0.97 ?
C10 C11 1.493(7) ?
C10 H10A 0.97 ?
C10 H10B 0.97 ?
C11 H11A 0.97 ?
C11 H11B 0.97 ?
C12 C13 1.408(6) ?
C12 C17 1.419(6) ?
C13 C14 1.385(6) ?
C13 H13 0.93 ?
C14 C15 1.374(7) ?
C14 H14 0.93 ?
C15 C16 1.373(7) ?
C15 H15 0.93 ?
C16 C17 1.409(6) ?
C16 H16 0.93 ?
C17 C18 1.438(6) ?
C18 H18 0.93 ?
C19 C20 1.510(7) ?
C19 H19A 0.97 ?
C19 H19B 0.97 ?
C20 H20A 0.97 ?
C20 H20B 0.97 ?
C21 C22 1.500(6) ?
C21 H21A 0.97 ?
C21 H21B 0.97 ?
C22 H22A 0.97 ?
C22 H22B 0.97 ?
Cl1 O8 1.375(7) ?
Cl1 O7A 1.396(6) ?
Cl1 O6A 1.402(6) ?
Cl1 O5 1.411(3) ?
Cl1 O6 1.420(7) ?
Cl1 O7B 1.433(8) ?
Cl1 O8B 1.442(8) ?
Cl1 O6B 1.451(9) ?
Cl1 O8A 1.529(6) ?
Cl1 O7 1.549(7) ?
O9 C23 1.323(8) ?
O9 H9 0.85 ?
C23 H23A 0.96 ?
C23 H23B 0.96 ?
C23 H23C 0.96 ?
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
N1 Cu1 O1 C1 -1.1(3)
O4 Cu1 O1 C1 -165.2(3)
O2 Cu1 O1 C1 108.1(3)
O1 Cu1 O2 C11 159.5(2)
N1 Cu1 O2 C11 -103.8(3)
O4 Cu1 O2 C11 72.9(3)
N2 Cu1 O2 C11 -23.0(3)
N3 Cu2 O3 C12 -10.4(3)
O4 Cu2 O3 C12 165.1(3)
N4 Cu2 O3 C12 -95.9(7)
O3 Cu2 O4 C22 159.6(2)
N3 Cu2 O4 C22 -45.2(7)
N4 Cu2 O4 C22 -8.0(3)
O3 Cu2 O4 Cu1 -76.53(14)
N3 Cu2 O4 Cu1 78.7(6)
N4 Cu2 O4 Cu1 115.81(15)
O1 Cu1 O4 C22 101.1(3)
N1 Cu1 O4 C22 8.7(6)
N2 Cu1 O4 C22 -79.6(3)
O2 Cu1 O4 C22 -159.8(3)
O1 Cu1 O4 Cu2 -19.18(14)
N1 Cu1 O4 Cu2 -111.6(5)
N2 Cu1 O4 Cu2 160.07(14)
O2 Cu1 O4 Cu2 79.91(12)
O1 Cu1 N1 C7 -5.6(4)
O4 Cu1 N1 C7 85.9(6)
N2 Cu1 N1 C7 175.8(4)
O2 Cu1 N1 C7 -106.2(3)
O1 Cu1 N1 C8 176.1(3)
O4 Cu1 N1 C8 -92.4(5)
N2 Cu1 N1 C8 -2.5(3)
O2 Cu1 N1 C8 75.6(3)
N1 Cu1 N2 C9 -21.5(3)
O4 Cu1 N2 C9 142.6(3)
O2 Cu1 N2 C9 -131.2(3)
N1 Cu1 N2 C10 101.7(3)
O4 Cu1 N2 C10 -94.2(3)
O2 Cu1 N2 C10 -8.1(3)
O3 Cu2 N3 C18 11.4(4)
O4 Cu2 N3 C18 -143.9(5)
N4 Cu2 N3 C18 178.9(4)
O3 Cu2 N3 C19 -171.4(3)
O4 Cu2 N3 C19 33.4(8)
N4 Cu2 N3 C19 -3.9(3)
O3 Cu2 N4 C20 114.4(6)
N3 Cu2 N4 C20 27.8(3)
O4 Cu2 N4 C20 -145.6(3)
O3 Cu2 N4 C21 -118.4(6)
N3 Cu2 N4 C21 155.1(3)
O4 Cu2 N4 C21 -18.4(3)
Cu1 O1 C1 C2 -174.2(3)
Cu1 O1 C1 C6 6.0(6)
O1 C1 C2 C3 -178.8(4)
C6 C1 C2 C3 1.0(6)
C1 C2 C3 C4 0.1(7)
C2 C3 C4 C5 -0.2(7)
C3 C4 C5 C6 -0.9(7)
O1 C1 C6 C5 177.7(4)
C2 C1 C6 C5 -2.1(6)
O1 C1 C6 C7 -5.3(6)
C2 C1 C6 C7 174.9(4)
C4 C5 C6 C1 2.1(6)
C4 C5 C6 C7 -175.1(4)
C8 N1 C7 C6 -174.1(4)
Cu1 N1 C7 C6 7.7(6)
C1 C6 C7 N1 -2.0(6)
C5 C6 C7 N1 175.1(4)
C7 N1 C8 C9 -153.0(4)
Cu1 N1 C8 C9 25.4(4)
C10 N2 C9 C8 -81.5(5)
Cu1 N2 C9 C8 40.7(4)
N1 C8 C9 N2 -42.9(5)
C9 N2 C10 C11 159.3(4)
Cu1 N2 C10 C11 38.8(4)
Cu1 O2 C11 C10 49.1(3)
N2 C10 C11 O2 -63.1(5)
Cu2 O3 C12 C13 -175.6(3)
Cu2 O3 C12 C17 4.9(6)
O3 C12 C13 C14 179.2(4)
C17 C12 C13 C14 -1.2(6)
C12 C13 C14 C15 -0.7(7)
C13 C14 C15 C16 2.0(8)
C14 C15 C16 C17 -1.3(8)
C15 C16 C17 C12 -0.6(7)
C15 C16 C17 C18 177.1(4)
O3 C12 C17 C16 -178.6(4)
C13 C12 C17 C16 1.9(6)
O3 C12 C17 C18 3.9(6)
C13 C12 C17 C18 -175.7(4)
C19 N3 C18 C17 176.1(4)
Cu2 N3 C18 C17 -6.9(6)
C16 C17 C18 N3 179.7(4)
C12 C17 C18 N3 -2.7(7)
C18 N3 C19 C20 156.8(4)
Cu2 N3 C19 C20 -20.5(5)
C21 N4 C20 C19 -165.9(4)
Cu2 N4 C20 C19 -46.5(4)
N3 C19 C20 N4 44.2(5)
C20 N4 C21 C22 158.4(4)
Cu2 N4 C21 C22 39.7(4)
Cu2 O4 C22 C21 33.0(4)
Cu1 O4 C22 C21 -84.8(4)
N4 C21 C22 O4 -48.9(5)
