#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/13/2231364.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_2231364
loop_
_publ_author_name
'Yeh, Chun-Wei'
'Huang, Fu-Chang'
'Jong, Ay'
'Suen, Maw-Cherng'
_publ_section_title
;
 Tetrakis[μ-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ²N:N']tetrakis(μ-methanolato-κ²O:O)bis(μ-perchlorato-κ²O:O')tetracopper(II)
 bis(perchlorate)
;
_journal_coeditor_code           XU5263
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1080
_journal_page_last               m1081
_journal_paper_doi               10.1107/S160053681102705X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Cu4 (C12 H12 N2 O2)4 (C H3 O)4 (Cl O4)2] (Cl O4)2'
_chemical_formula_moiety         'C52 H60 Cl2 Cu4 N8 O20 2+, 2(Cl O4 -)'
_chemical_formula_sum            'C52 H60 Cl4 Cu4 N8 O28'
_chemical_formula_weight         1641.04
_chemical_name_systematic
;
Tetrakis[μ-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-
κ²N:N']tetrakis(μ-methanolato-κ²O:O)bis(μ-
perchlorato-κ²O:O')tetracopper(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                 93.936(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.3508(8)
_cell_length_b                   16.9820(18)
_cell_length_c                   22.337(2)
_cell_measurement_reflns_used    3303
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      23.923
_cell_measurement_theta_min      2.185
_cell_volume                     3160.2(5)
_computing_cell_refinement       'SAINT (Bruker, 2010)'
_computing_data_collection       'APEX2 (Bruker, 2010)'
_computing_data_reduction        'SAINT (Bruker, 2010)'
_computing_molecular_graphics    'DAIMOND (Brandenburg, 2010)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_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  0.0774
_diffrn_reflns_av_sigmaI/netI    0.0991
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            17717
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    1.591
_exptl_absorpt_correction_T_max  0.8968
_exptl_absorpt_correction_T_min  0.6469
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1672
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.653
_refine_diff_density_min         -1.302
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         6219
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1294
_refine_ls_R_factor_gt           0.0579
_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)+(0.0854P)²+5.5939P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1440
_refine_ls_wR_factor_ref         0.1858
_reflns_number_gt                3428
_reflns_number_total             6219
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu5263.cif
_cod_data_source_block           I
_cod_original_cell_volume        3160.1(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2231364
_cod_database_fobs_code          2231364
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_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_symmetry_multiplicity
C C1 0.1122(8) 0.4667(4) 0.1591(3) 0.0359(16) Uani d . 1 1
C C2 -0.0067(9) 0.5004(5) 0.2428(3) 0.050(2) Uani d . 1 1
H H2A 0.0396 0.4747 0.2787 0.060 Uiso calc R 1 1
H H2B -0.1127 0.5199 0.2503 0.060 Uiso calc R 1 1
C C3 0.0998(9) 0.5658(5) 0.2232(3) 0.047(2) Uani d . 1 1
H H3A 0.0367 0.6111 0.2095 0.057 Uiso calc R 1 1
H H3B 0.1756 0.5819 0.2557 0.057 Uiso calc R 1 1
C C4 0.1474(8) 0.4084(4) 0.1125(3) 0.0342(16) Uani d . 1 1
C C5 0.1018(9) 0.3300(5) 0.1204(3) 0.0448(19) Uani d . 1 1
H H5A 0.0513 0.3155 0.1546 0.054 Uiso calc R 1 1
C C6 0.1313(9) 0.2745(4) 0.0779(3) 0.0415(18) Uani d . 1 1
H H6A 0.1002 0.2225 0.0831 0.050 Uiso calc R 1 1
C C7 0.2083(8) 0.2962(4) 0.0266(3) 0.0344(16) Uani d . 1 1
C C8 0.2554(8) 0.3736(4) 0.0189(3) 0.0400(17) Uani d . 1 1
H H8A 0.3082 0.3877 -0.0149 0.048 Uiso calc R 1 1
C C9 0.2240(8) 0.4301(4) 0.0612(3) 0.0376(17) Uani d . 1 1
H H9A 0.2537 0.4822 0.0556 0.045 Uiso calc R 1 1
C C10 0.2276(8) 0.2353(4) -0.0197(3) 0.0349(16) Uani d . 1 1
C C11 0.1477(10) 0.1274(5) -0.0718(4) 0.053(2) Uani d . 1 1
H H11A 0.0627 0.1262 -0.1036 0.063 Uiso calc R 1 1
H H11B 0.1642 0.0745 -0.0560 0.063 Uiso calc R 1 1
C C12 0.3012(9) 0.1601(5) -0.0943(3) 0.0471(19) Uani d . 1 1
H H12A 0.3867 0.1214 -0.0903 0.057 Uiso calc R 1 1
H H12B 0.2852 0.1756 -0.1361 0.057 Uiso calc R 1 1
C C13 0.5597(8) 0.4671(5) 0.2289(3) 0.0330(16) Uani d . 1 1
C C14 0.5841(11) 0.5144(5) 0.3226(3) 0.057(2) Uani d . 1 1
H H14A 0.6812 0.5300 0.3459 0.069 Uiso calc R 1 1
H H14B 0.5022 0.5019 0.3499 0.069 Uiso calc R 1 1
C C15 0.5281(10) 0.5786(5) 0.2801(3) 0.0470(19) Uani d . 1 1
H H15A 0.4280 0.6014 0.2914 0.056 Uiso calc R 1 1
H H15B 0.6080 0.6199 0.2786 0.056 Uiso calc R 1 1
C C16 0.5799(8) 0.4058(4) 0.1829(3) 0.0372(17) Uani d . 1 1
C C17 0.6125(8) 0.4276(4) 0.1250(3) 0.0375(17) Uani d . 1 1
H H17A 0.6150 0.4806 0.1144 0.045 Uiso calc R 1 1
C C18 0.6415(8) 0.3699(4) 0.0829(3) 0.0387(17) Uani d . 1 1
H H18A 0.6594 0.3844 0.0438 0.046 Uiso calc R 1 1
C C19 0.6439(8) 0.2904(4) 0.0988(3) 0.0364(16) Uani d . 1 1
C C20 0.6098(11) 0.2702(5) 0.1575(3) 0.055(2) Uani d . 1 1
H H20A 0.6066 0.2174 0.1684 0.066 Uiso calc R 1 1
C C21 0.5813(10) 0.3267(5) 0.1987(3) 0.052(2) Uani d . 1 1
H H21A 0.5626 0.3122 0.2378 0.063 Uiso calc R 1 1
C C22 0.6849(8) 0.2287(4) 0.0567(3) 0.0345(16) Uani d . 1 1
C C23 0.7830(10) 0.1081(5) 0.0355(3) 0.0455(19) Uani d . 1 1
H H23A 0.7213 0.0607 0.0414 0.055 Uiso calc R 1 1
H H23B 0.8955 0.0943 0.0347 0.055 Uiso calc R 1 1
C C24 0.7231(9) 0.1506(4) -0.0216(3) 0.0427(18) Uani d . 1 1
H H24A 0.8100 0.1592 -0.0476 0.051 Uiso calc R 1 1
H H24B 0.6392 0.1206 -0.0434 0.051 Uiso calc R 1 1
C C25 0.7168(9) 0.6445(6) 0.1504(4) 0.065(3) Uani d . 1 1
H H25A 0.7898 0.6699 0.1252 0.098 Uiso calc R 1 1
H H25B 0.7607 0.5948 0.1638 0.098 Uiso calc R 1 1
H H25C 0.7007 0.6773 0.1845 0.098 Uiso calc R 1 1
C C26 0.1317(8) 0.6419(5) 0.0591(3) 0.049(2) Uani d . 1 1
H H26A 0.1182 0.6662 0.0202 0.074 Uiso calc R 1 1
H H26B 0.0872 0.6754 0.0883 0.074 Uiso calc R 1 1
H H26C 0.0775 0.5920 0.0581 0.074 Uiso calc R 1 1
N N1 0.1845(7) 0.5304(4) 0.1729(2) 0.0360(14) Uani d . 1 1
N N2 0.3399(7) 0.2294(3) -0.0559(2) 0.0341(13) Uani d . 1 1
N N3 0.5057(7) 0.5363(4) 0.2212(2) 0.0382(14) Uani d . 1 1
N N4 0.6591(6) 0.2277(3) -0.0004(2) 0.0347(13) Uani d . 1 1
O O1 -0.0137(6) 0.4464(3) 0.1911(2) 0.0457(13) Uani d . 1 1
O O2 0.1089(6) 0.1818(3) -0.0245(2) 0.0445(13) Uani d . 1 1
O O3 0.6144(6) 0.4476(3) 0.28487(19) 0.0437(13) Uani d . 1 1
O O4 0.7583(6) 0.1666(3) 0.0827(2) 0.0468(13) Uani d . 1 1
O O5 0.5680(5) 0.6320(3) 0.11751(19) 0.0355(11) Uani d . 1 1
O O6 0.2978(5) 0.6303(3) 0.07467(19) 0.0334(11) Uani d . 1 1
O O7 0.3217(10) 0.7040(4) 0.2147(3) 0.093(2) Uani d . 1 1
O O8 0.3809(8) 0.7958(4) 0.1440(3) 0.0692(18) Uani d . 1 1
O O9 0.1149(11) 0.7691(7) 0.1666(5) 0.146(4) Uani d . 1 1
O O10 0.2738(10) 0.8399(5) 0.2321(3) 0.104(3) Uani d . 1 1
O O11 0.6921(15) 0.8936(6) -0.1375(4) 0.156(4) Uani d . 1 1
O O12 0.7923(10) 0.9813(6) -0.0703(5) 0.134(4) Uani d . 1 1
O O13 0.5292(11) 0.9929(5) -0.1101(4) 0.114(3) Uani d . 1 1
O O14 0.6030(9) 0.8924(6) -0.0449(4) 0.120(3) Uani d . 1 1
Cl Cl1 0.2917(4) 0.77931(15) 0.19370(10) 0.0846(9) Uani d . 1 1
Cl Cl2 0.6500(3) 0.93970(13) -0.09112(9) 0.0592(6) Uani d . 1 1
Cu Cu1 0.38371(9) 0.58253(5) 0.14926(3) 0.0313(2) Uani d . 1 1
Cu Cu2 0.53626(9) 0.29352(5) -0.06120(3) 0.0312(2) Uani d . 1 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'
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
N1 C1 O1 . . 117.5(6)
N1 C1 C4 . . 128.9(6)
O1 C1 C4 . . 113.6(6)
O1 C2 C3 . . 102.9(5)
O1 C2 H2A . . 111.2
C3 C2 H2A . . 111.2
O1 C2 H2B . . 111.2
C3 C2 H2B . . 111.2
H2A C2 H2B . . 109.1
N1 C3 C2 . . 104.0(6)
N1 C3 H3A . . 111.0
C2 C3 H3A . . 111.0
N1 C3 H3B . . 111.0
C2 C3 H3B . . 111.0
H3A C3 H3B . . 109.0
C9 C4 C5 . . 119.8(6)
C9 C4 C1 . . 121.6(6)
C5 C4 C1 . . 118.6(6)
C6 C5 C4 . . 120.2(6)
C6 C5 H5A . . 119.9
C4 C5 H5A . . 119.9
C5 C6 C7 . . 120.0(7)
C5 C6 H6A . . 120.0
C7 C6 H6A . . 120.0
C8 C7 C6 . . 120.1(7)
C8 C7 C10 . . 121.9(6)
C6 C7 C10 . . 117.8(6)
C9 C8 C7 . . 120.2(6)
C9 C8 H8A . . 119.9
C7 C8 H8A . . 119.9
C8 C9 C4 . . 119.7(7)
C8 C9 H9A . . 120.1
C4 C9 H9A . . 120.1
N2 C10 O2 . . 117.6(6)
N2 C10 C7 . . 128.0(6)
O2 C10 C7 . . 114.4(6)
O2 C11 C12 . . 104.0(6)
O2 C11 H11A . . 111.0
C12 C11 H11A . . 111.0
O2 C11 H11B . . 111.0
C12 C11 H11B . . 111.0
H11A C11 H11B . . 109.0
N2 C12 C11 . . 104.8(6)
N2 C12 H12A . . 110.8
C11 C12 H12A . . 110.8
N2 C12 H12B . . 110.8
C11 C12 H12B . . 110.8
H12A C12 H12B . . 108.9
N3 C13 O3 . . 116.8(6)
N3 C13 C16 . . 127.9(6)
O3 C13 C16 . . 115.1(6)
O3 C14 C15 . . 105.1(6)
O3 C14 H14A . . 110.7
C15 C14 H14A . . 110.7
O3 C14 H14B . . 110.7
C15 C14 H14B . . 110.7
H14A C14 H14B . . 108.8
N3 C15 C14 . . 102.8(6)
N3 C15 H15A . . 111.2
C14 C15 H15A . . 111.2
N3 C15 H15B . . 111.2
C14 C15 H15B . . 111.2
H15A C15 H15B . . 109.1
C21 C16 C17 . . 119.8(7)
C21 C16 C13 . . 120.2(6)
C17 C16 C13 . . 119.8(6)
C16 C17 C18 . . 119.6(7)
C16 C17 H17A . . 120.2
C18 C17 H17A . . 120.2
C17 C18 C19 . . 120.7(6)
C17 C18 H18A . . 119.6
C19 C18 H18A . . 119.6
C18 C19 C20 . . 118.3(7)
C18 C19 C22 . . 122.0(6)
C20 C19 C22 . . 119.7(6)
C21 C20 C19 . . 121.0(7)
C21 C20 H20A . . 119.5
C19 C20 H20A . . 119.5
C20 C21 C16 . . 120.5(7)
C20 C21 H21A . . 119.7
C16 C21 H21A . . 119.7
N4 C22 O4 . . 117.7(6)
N4 C22 C19 . . 128.2(6)
O4 C22 C19 . . 114.1(6)
O4 C23 C24 . . 103.1(6)
O4 C23 H23A . . 111.1
C24 C23 H23A . . 111.1
O4 C23 H23B . . 111.1
C24 C23 H23B . . 111.1
H23A C23 H23B . . 109.1
N4 C24 C23 . . 104.6(5)
N4 C24 H24A . . 110.8
C23 C24 H24A . . 110.8
N4 C24 H24B . . 110.8
C23 C24 H24B . . 110.8
H24A C24 H24B . . 108.9
O5 C25 H25A . . 109.5
O5 C25 H25B . . 109.5
H25A C25 H25B . . 109.5
O5 C25 H25C . . 109.5
H25A C25 H25C . . 109.5
H25B C25 H25C . . 109.5
O6 C26 H26A . . 109.5
O6 C26 H26B . . 109.5
H26A C26 H26B . . 109.5
O6 C26 H26C . . 109.5
H26A C26 H26C . . 109.5
H26B C26 H26C . . 109.5
C1 N1 C3 . . 106.5(6)
C1 N1 Cu1 . . 135.1(5)
C3 N1 Cu1 . . 118.0(4)
C10 N2 C12 . . 106.7(6)
C10 N2 Cu2 . . 129.7(5)
C12 N2 Cu2 . . 123.5(4)
C13 N3 C15 . . 107.7(6)
C13 N3 Cu1 . . 129.0(5)
C15 N3 Cu1 . . 122.8(5)
C22 N4 C24 . . 106.7(6)
C22 N4 Cu2 . . 135.8(5)
C24 N4 Cu2 . . 116.9(4)
C1 O1 C2 . . 105.4(5)
C10 O2 C11 . . 106.7(5)
C13 O3 C14 . . 106.7(5)
C22 O4 C23 . . 107.7(5)
C25 O5 Cu1 . . 124.6(4)
C25 O5 Cu2 . 3_665 125.2(5)
Cu1 O5 Cu2 . 3_665 100.81(19)
C26 O6 Cu2 . 3_665 124.5(4)
C26 O6 Cu1 . . 124.4(4)
Cu2 O6 Cu1 3_665 . 100.7(2)
O10 Cl1 O7 . . 120.9(5)
O10 Cl1 O8 . . 115.8(5)
O7 Cl1 O8 . . 111.1(4)
O10 Cl1 O9 . . 100.7(6)
O7 Cl1 O9 . . 100.0(6)
O8 Cl1 O9 . . 104.7(5)
O11 Cl2 O14 . . 109.5(7)
O11 Cl2 O13 . . 111.1(6)
O14 Cl2 O13 . . 111.4(5)
O11 Cl2 O12 . . 106.2(7)
O14 Cl2 O12 . . 108.3(6)
O13 Cl2 O12 . . 110.2(6)
O5 Cu1 O6 . . 76.15(18)
O5 Cu1 N1 . . 173.9(2)
O6 Cu1 N1 . . 98.4(2)
O5 Cu1 N3 . . 95.2(2)
O6 Cu1 N3 . . 171.1(2)
N1 Cu1 N3 . . 90.1(2)
O5 Cu1 Cu2 . 3_665 39.79(13)
O6 Cu1 Cu2 . 3_665 39.52(13)
N1 Cu1 Cu2 . 3_665 135.87(17)
N3 Cu1 Cu2 . 3_665 132.83(17)
O6 Cu2 O5 3_665 3_665 76.02(18)
O6 Cu2 N2 3_665 . 169.4(2)
O5 Cu2 N2 3_665 . 93.5(2)
O6 Cu2 N4 3_665 . 98.1(2)
O5 Cu2 N4 3_665 . 173.4(2)
N2 Cu2 N4 . . 92.3(2)
O6 Cu2 Cu1 3_665 3_665 39.77(12)
O5 Cu2 Cu1 3_665 3_665 39.40(13)
N2 Cu2 Cu1 . 3_665 130.64(16)
N4 Cu2 Cu1 . 3_665 135.84(16)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 N1 . 1.268(9)
C1 O1 . 1.355(8)
C1 C4 . 1.480(10)
C2 O1 . 1.472(8)
C2 C3 . 1.507(10)
C2 H2A . 0.9700
C2 H2B . 0.9700
C3 N1 . 1.493(8)
C3 H3A . 0.9700
C3 H3B . 0.9700
C4 C9 . 1.399(9)
C4 C5 . 1.399(10)
C5 C6 . 1.373(10)
C5 H5A . 0.9300
C6 C7 . 1.399(9)
C6 H6A . 0.9300
C7 C8 . 1.388(10)
C7 C10 . 1.479(9)
C8 C9 . 1.385(10)
C8 H8A . 0.9300
C9 H9A . 0.9300
C10 N2 . 1.283(8)
C10 O2 . 1.343(8)
C11 O2 . 1.456(8)
C11 C12 . 1.515(10)
C11 H11A . 0.9700
C11 H11B . 0.9700
C12 N2 . 1.478(9)
C12 H12A . 0.9700
C12 H12B . 0.9700
C13 N3 . 1.266(9)
C13 O3 . 1.343(7)
C13 C16 . 1.482(10)
C14 O3 . 1.446(9)
C14 C15 . 1.500(10)
C14 H14A . 0.9700
C14 H14B . 0.9700
C15 N3 . 1.499(9)
C15 H15A . 0.9700
C15 H15B . 0.9700
C16 C21 . 1.389(10)
C16 C17 . 1.390(9)
C17 C18 . 1.391(10)
C17 H17A . 0.9300
C18 C19 . 1.394(10)
C18 H18A . 0.9300
C19 C20 . 1.404(9)
C19 C22 . 1.463(10)
C20 C21 . 1.361(11)
C20 H20A . 0.9300
C21 H21A . 0.9300
C22 N4 . 1.280(8)
C22 O4 . 1.334(8)
C23 O4 . 1.473(9)
C23 C24 . 1.522(10)
C23 H23A . 0.9700
C23 H23B . 0.9700
C24 N4 . 1.503(9)
C24 H24A . 0.9700
C24 H24B . 0.9700
C25 O5 . 1.415(8)
C25 H25A . 0.9600
C25 H25B . 0.9600
C25 H25C . 0.9600
C26 O6 . 1.420(8)
C26 H26A . 0.9600
C26 H26B . 0.9600
C26 H26C . 0.9600
N1 Cu1 . 1.987(6)
N2 Cu2 . 1.979(6)
N3 Cu1 . 2.003(6)
N4 Cu2 . 1.988(6)
O5 Cu1 . 1.931(4)
O5 Cu2 3_665 1.947(4)
O6 Cu2 3_665 1.935(5)
O6 Cu1 . 1.945(4)
O7 Cl1 . 1.380(7)
O8 Cl1 . 1.407(6)
O9 Cl1 . 1.566(9)
O10 Cl1 . 1.353(7)
O11 Cl2 . 1.364(8)
O12 Cl2 . 1.433(9)
O13 Cl2 . 1.398(8)
O14 Cl2 . 1.385(7)
Cu1 Cu2 3_665 2.9878(11)
Cu2 O6 3_665 1.935(5)
Cu2 O5 3_665 1.947(4)
Cu2 Cu1 3_665 2.9878(11)
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
C2 H2A O13 4_576 0.97 2.55 3.281(11) 132
C3 H3B O11 4_576 0.97 2.42 3.228(11) 141
C8 H8A O5 3_665 0.93 2.60 3.476(8) 157
C9 H9A O6 . 0.93 2.57 3.465(8) 161
C12 H12A O13 1_545 0.97 2.54 3.450(12) 157
C24 H24A O2 1_655 0.97 2.54 3.270(9) 132
C26 H26B O9 . 0.96 2.36 3.240(14) 152
