#------------------------------------------------------------------------------
#$Date: 2016-02-21 01:03:34 +0100 (dom 21 de feb de 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/35/2233512.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_2233512
loop_
_publ_author_name
'Wang, Hui'
_publ_section_title
;
 Bis(μ-2-carboxy-5-nitrobenzoato-κ²O¹:O¹)bis[(2,2'-bipyridine-κ²N:N')chloridocopper(II)]
 dihydrate
;
_journal_coeditor_code           IM2329
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m95
_journal_paper_doi               10.1107/S1600536811046782
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu2 (C8 H4 N O6)2 Cl2 (C10 H8 N2)2], 2H2 O'
_chemical_formula_moiety         'C36 H24 Cl2 Cu2 N6 O12, 2(H2 O)'
_chemical_formula_sum            'C36 H28 Cl2 Cu2 N6 O14'
_chemical_formula_weight         966.62
_chemical_name_systematic
;
Bis(μ-2-carboxy-5-nitrobenzoato-κ²O¹:O¹)bis[(2,2'-
bipyridine-κ²N:N')chloridocopper(II)] dihydrate
;
_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                92.684(2)
_cell_angle_beta                 101.551(2)
_cell_angle_gamma                92.493(2)
_cell_formula_units_Z            2
_cell_length_a                   9.1090(12)
_cell_length_b                   12.3571(17)
_cell_length_c                   17.024(2)
_cell_measurement_reflns_used    2695
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.97
_cell_measurement_theta_min      2.29
_cell_volume                     1872.6(4)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2005)'
_computing_data_collection       'SMART (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2005)'
_computing_molecular_graphics
;XP in SHELXTL (Sheldrick, 2008) and  DIAMOND
(Brandenburg, 2005)
;
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker SMART 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  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0604
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13021
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.11
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.359
_exptl_absorpt_correction_T_max  0.8991
_exptl_absorpt_correction_T_min  0.8540
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             980
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.265
_refine_diff_density_min         -0.470
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     555
_refine_ls_number_reflns         6505
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0799
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.041
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0779P)²+0.7569P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1321
_refine_ls_wR_factor_ref         0.1488
_reflns_number_gt                4541
_reflns_number_total             6505
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            im2329.cif
_cod_data_source_block           I
_cod_database_code               2233512
_cod_database_fobs_code          2233512
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_symmetry_multiplicity
C C1 0.5338(6) 0.0982(4) 1.0871(3) 0.0387(12) Uani d . 1 1
C C2 0.4007(7) 0.0423(5) 1.0863(3) 0.0497(15) Uani d . 1 1
H H2 0.3943 -0.0140 1.1200 0.060 Uiso calc R 1 1
C C3 0.2752(7) 0.0735(4) 1.0329(3) 0.0479(14) Uani d . 1 1
H H3 0.1833 0.0365 1.0310 0.057 Uiso calc R 1 1
C C4 0.2821(6) 0.1574(4) 0.9825(3) 0.0403(12) Uani d . 1 1
C C5 0.4219(6) 0.2133(4) 0.9861(3) 0.0346(11) Uani d . 1 1
C C6 0.5477(6) 0.1831(4) 1.0392(3) 0.0398(12) Uani d . 1 1
H H6 0.6402 0.2198 1.0424 0.048 Uiso calc R 1 1
C C7 0.4519(5) 0.3035(4) 0.9327(3) 0.0343(11) Uani d . 1 1
C C8 0.1464(6) 0.1917(5) 0.9273(3) 0.0487(14) Uani d . 1 1
C C9 0.8608(5) 0.6408(4) 0.9097(3) 0.0417(13) Uani d . 1 1
H H9 0.9122 0.6038 0.9522 0.050 Uiso calc R 1 1
C C10 0.9382(6) 0.7197(5) 0.8777(3) 0.0492(14) Uani d . 1 1
H H10 1.0406 0.7343 0.8965 0.059 Uiso calc R 1 1
C C11 0.8582(7) 0.7770(5) 0.8163(4) 0.0567(16) Uani d . 1 1
H H11 0.9068 0.8322 0.7943 0.068 Uiso calc R 1 1
C C12 0.7096(6) 0.7528(4) 0.7883(3) 0.0463(14) Uani d . 1 1
H H12 0.6560 0.7903 0.7468 0.056 Uiso calc R 1 1
C C13 0.6397(6) 0.6717(4) 0.8223(3) 0.0355(12) Uani d . 1 1
C C14 0.4773(5) 0.6390(4) 0.7981(3) 0.0344(11) Uani d . 1 1
C C15 0.3784(6) 0.6848(4) 0.7381(3) 0.0452(13) Uani d . 1 1
H H15 0.4122 0.7385 0.7086 0.054 Uiso calc R 1 1
C C16 0.2298(7) 0.6503(5) 0.7225(3) 0.0537(15) Uani d . 1 1
H H16 0.1619 0.6808 0.6825 0.064 Uiso calc R 1 1
C C17 0.1818(6) 0.5702(5) 0.7664(4) 0.0525(15) Uani d . 1 1
H H17 0.0813 0.5461 0.7566 0.063 Uiso calc R 1 1
C C18 0.2852(6) 0.5264(4) 0.8252(3) 0.0413(13) Uani d . 1 1
H H18 0.2529 0.4721 0.8548 0.050 Uiso calc R 1 1
C C19 0.7153(6) 0.5993(5) 0.5270(4) 0.0615(17) Uani d DU 1 1
C C20 0.6265(6) 0.6901(4) 0.5381(4) 0.0524(15) Uani d . 1 1
H H20 0.6489 0.7359 0.5843 0.063 Uiso calc R 1 1
C C21 0.5074(5) 0.7060(4) 0.4773(3) 0.0400(13) Uani d . 1 1
C C22 0.4773(7) 0.6359(4) 0.4087(4) 0.0494(15) Uani d . 1 1
C C23 0.5622(7) 0.5498(5) 0.4014(4) 0.0675(18) Uani d DU 1 1
H H23 0.5386 0.5034 0.3555 0.081 Uiso calc R 1 1
C C24 0.6809(7) 0.5306(5) 0.4601(4) 0.0683(18) Uani d DU 1 1
H H24 0.7383 0.4712 0.4548 0.082 Uiso calc R 1 1
C C25 0.4042(5) 0.7933(4) 0.4948(3) 0.0375(12) Uani d . 1 1
C C26 0.3525(7) 0.6563(5) 0.3404(4) 0.0560(16) Uani d . 1 1
C C27 0.3086(6) 1.1676(4) 0.6747(3) 0.0393(12) Uani d . 1 1
H H27 0.3939 1.1437 0.7075 0.047 Uiso calc R 1 1
C C28 0.2334(6) 1.2493(4) 0.7041(3) 0.0462(14) Uani d . 1 1
H H28 0.2673 1.2800 0.7558 0.055 Uiso calc R 1 1
C C29 0.1083(6) 1.2848(4) 0.6561(3) 0.0468(14) Uani d . 1 1
H H29 0.0555 1.3397 0.6749 0.056 Uiso calc R 1 1
C C30 0.0608(6) 1.2382(4) 0.5794(3) 0.0413(13) Uani d . 1 1
H H30 -0.0245 1.2613 0.5461 0.050 Uiso calc R 1 1
C C31 0.1409(5) 1.1571(4) 0.5525(3) 0.0287(10) Uani d . 1 1
C C32 0.1032(5) 1.1024(4) 0.4714(3) 0.0282(10) Uani d . 1 1
C C33 -0.0218(5) 1.1238(4) 0.4139(3) 0.0365(12) Uani d . 1 1
H H33 -0.0886 1.1744 0.4250 0.044 Uiso calc R 1 1
C C34 -0.0444(6) 1.0686(4) 0.3402(3) 0.0428(13) Uani d . 1 1
H H34 -0.1275 1.0815 0.3009 0.051 Uiso calc R 1 1
C C35 0.0546(6) 0.9947(4) 0.3246(3) 0.0443(13) Uani d . 1 1
H H35 0.0409 0.9577 0.2747 0.053 Uiso calc R 1 1
C C36 0.1748(6) 0.9764(4) 0.3845(3) 0.0406(12) Uani d . 1 1
H H36 0.2423 0.9259 0.3741 0.049 Uiso calc R 1 1
Cl Cl1 0.78986(14) 0.41119(12) 0.98373(9) 0.0513(4) Uani d . 1 1
Cl Cl2 0.48929(17) 0.94718(12) 0.66912(8) 0.0550(4) Uani d . 1 1
Cu Cu1 0.59103(6) 0.50284(5) 0.92407(3) 0.03410(19) Uani d . 1 1
Cu Cu2 0.36310(6) 1.00231(5) 0.55154(3) 0.03154(18) Uani d . 1 1
N N1 0.7149(4) 0.6149(3) 0.8824(2) 0.0337(9) Uani d . 1 1
N N2 0.4303(4) 0.5595(3) 0.8412(2) 0.0343(9) Uani d . 1 1
N N3 0.6704(6) 0.0644(4) 1.1394(3) 0.0534(12) Uani d . 1 1
N N4 0.8394(7) 0.5799(6) 0.5897(4) 0.0879(19) Uani d . 1 1
N N5 0.2640(4) 1.1214(3) 0.6011(2) 0.0308(9) Uani d . 1 1
N N6 0.1989(4) 1.0280(3) 0.4569(2) 0.0310(9) Uani d . 1 1
O O1 0.7845(6) 0.1239(4) 1.1487(3) 0.0887(16) Uani d . 1 1
O O2 0.6673(5) -0.0224(4) 1.1707(2) 0.0695(13) Uani d . 1 1
O O3 0.0252(5) 0.1282(4) 0.9260(3) 0.0770(14) Uani d . 1 1
H H3A -0.0477 0.1540 0.8983 0.116 Uiso calc R 1 1
O O4 0.1475(4) 0.2682(3) 0.8860(2) 0.0548(10) Uani d . 1 1
O O5 0.4886(4) 0.2789(3) 0.8685(2) 0.0519(10) Uani d . 1 1
O O6 0.4541(4) 0.4004(2) 0.96305(19) 0.0347(8) Uani d . 1 1
O O7 0.9139(7) 0.4957(5) 0.5801(4) 0.134(3) Uani d . 1 1
O O8 0.8725(6) 0.6481(5) 0.6464(4) 0.109(2) Uani d . 1 1
O O9 0.4530(4) 0.8915(2) 0.49221(19) 0.0348(8) Uani d . 1 1
O O10 0.2880(4) 0.7654(3) 0.5148(3) 0.0580(11) Uani d . 1 1
O O11 0.3023(5) 0.7424(4) 0.3291(3) 0.0736(13) Uani d . 1 1
O O12 0.3072(7) 0.5694(4) 0.2920(3) 0.0926(17) Uani d . 1 1
H H12A 0.2152 0.5641 0.2813 0.139 Uiso calc RD 1 1
O O13 0.0783(6) 0.5905(4) 0.1749(3) 0.0776(14) Uani d D 1 1
O O14 0.2367(6) 0.8268(4) 0.1645(3) 0.0733(13) Uani d D 1 1
H H1W 0.075(9) 0.6551(19) 0.191(4) 0.110 Uiso d D 1 1
H H2W 0.125(8) 0.589(5) 0.137(3) 0.110 Uiso d D 1 1
H H3W 0.235(9) 0.792(5) 0.205(3) 0.110 Uiso d D 1 1
H H4W 0.285(8) 0.795(5) 0.135(3) 0.110 Uiso d 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'
Cu Cu 0.3201 1.2651 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
C2 C1 C6 . 123.3(5)
C2 C1 N3 . 118.9(5)
C6 C1 N3 . 117.8(5)
C1 C2 C3 . 117.1(5)
C1 C2 H2 . 121.5
C3 C2 H2 . 121.5
C4 C3 C2 . 122.4(5)
C4 C3 H3 . 118.8
C2 C3 H3 . 118.8
C3 C4 C5 . 118.4(5)
C3 C4 C8 . 121.8(5)
C5 C4 C8 . 119.8(5)
C6 C5 C4 . 119.7(5)
C6 C5 C7 . 114.7(4)
C4 C5 C7 . 125.6(4)
C1 C6 C5 . 119.2(5)
C1 C6 H6 . 120.4
C5 C6 H6 . 120.4
O5 C7 O6 . 124.9(5)
O5 C7 C5 . 118.6(5)
O6 C7 C5 . 116.0(4)
O4 C8 O3 . 123.2(6)
O4 C8 C4 . 123.3(5)
O3 C8 C4 . 113.5(5)
N1 C9 C10 . 122.9(5)
N1 C9 H9 . 118.6
C10 C9 H9 . 118.6
C9 C10 C11 . 117.7(5)
C9 C10 H10 . 121.1
C11 C10 H10 . 121.1
C12 C11 C10 . 120.3(5)
C12 C11 H11 . 119.9
C10 C11 H11 . 119.9
C11 C12 C13 . 118.9(5)
C11 C12 H12 . 120.6
C13 C12 H12 . 120.6
N1 C13 C12 . 122.0(5)
N1 C13 C14 . 114.0(4)
C12 C13 C14 . 124.0(4)
N2 C14 C15 . 121.1(5)
N2 C14 C13 . 114.4(4)
C15 C14 C13 . 124.5(5)
C16 C15 C14 . 119.4(5)
C16 C15 H15 . 120.3
C14 C15 H15 . 120.3
C15 C16 C17 . 119.6(5)
C15 C16 H16 . 120.2
C17 C16 H16 . 120.2
C16 C17 C18 . 118.8(5)
C16 C17 H17 . 120.6
C18 C17 H17 . 120.6
N2 C18 C17 . 122.2(5)
N2 C18 H18 . 118.9
C17 C18 H18 . 118.9
C24 C19 N4 . 120.0(6)
C24 C19 C20 . 121.8(6)
N4 C19 C20 . 118.2(6)
C21 C20 C19 . 116.8(6)
C21 C20 H20 . 121.6
C19 C20 H20 . 121.6
C20 C21 C22 . 120.1(5)
C20 C21 C25 . 115.7(5)
C22 C21 C25 . 123.8(5)
C23 C22 C21 . 121.2(6)
C23 C22 C26 . 118.5(6)
C21 C22 C26 . 120.2(5)
C22 C23 C24 . 120.8(7)
C22 C23 H23 . 119.6
C24 C23 H23 . 119.6
C23 C24 C19 . 119.3(6)
C23 C24 H24 . 120.4
C19 C24 H24 . 120.4
O10 C25 O9 . 125.3(5)
O10 C25 C21 . 118.3(4)
O9 C25 C21 . 116.2(4)
O11 C26 O12 . 123.2(6)
O11 C26 C22 . 123.6(6)
O12 C26 C22 . 113.1(6)
N5 C27 C28 . 122.5(5)
N5 C27 H27 . 118.7
C28 C27 H27 . 118.7
C29 C28 C27 . 119.0(5)
C29 C28 H28 . 120.5
C27 C28 H28 . 120.5
C28 C29 C30 . 119.3(5)
C28 C29 H29 . 120.3
C30 C29 H29 . 120.3
C31 C30 C29 . 119.5(5)
C31 C30 H30 . 120.2
C29 C30 H30 . 120.2
N5 C31 C30 . 120.7(4)
N5 C31 C32 . 114.7(4)
C30 C31 C32 . 124.6(4)
N6 C32 C33 . 121.6(4)
N6 C32 C31 . 114.8(4)
C33 C32 C31 . 123.7(4)
C34 C33 C32 . 118.4(5)
C34 C33 H33 . 120.8
C32 C33 H33 . 120.8
C35 C34 C33 . 120.2(5)
C35 C34 H34 . 119.9
C33 C34 H34 . 119.9
C34 C35 C36 . 118.4(5)
C34 C35 H35 . 120.8
C36 C35 H35 . 120.8
N6 C36 C35 . 122.8(5)
N6 C36 H36 . 118.6
C35 C36 H36 . 118.6
O6 Cu1 N1 . 175.05(14)
O6 Cu1 N2 . 94.41(15)
N1 Cu1 N2 . 81.37(16)
O6 Cu1 Cl1 . 90.06(10)
N1 Cu1 Cl1 . 94.74(11)
N2 Cu1 Cl1 . 162.02(12)
O6 Cu1 O6 2_667 78.33(13)
N1 Cu1 O6 2_667 99.69(14)
N2 Cu1 O6 2_667 98.93(14)
Cl1 Cu1 O6 2_667 99.03(9)
O9 Cu2 N5 . 174.18(14)
O9 Cu2 N6 . 93.77(14)
N5 Cu2 N6 . 81.05(15)
O9 Cu2 Cl2 . 90.70(10)
N5 Cu2 Cl2 . 95.02(11)
N6 Cu2 Cl2 . 162.80(12)
O9 Cu2 O9 2_676 79.29(13)
N5 Cu2 O9 2_676 98.40(13)
N6 Cu2 O9 2_676 94.85(13)
Cl2 Cu2 O9 2_676 102.30(9)
C9 N1 C13 . 118.2(4)
C9 N1 Cu1 . 126.5(3)
C13 N1 Cu1 . 115.3(3)
C18 N2 C14 . 118.9(4)
C18 N2 Cu1 . 126.2(3)
C14 N2 Cu1 . 114.9(3)
O2 N3 O1 . 122.5(5)
O2 N3 C1 . 119.2(5)
O1 N3 C1 . 118.3(5)
O8 N4 O7 . 124.9(7)
O8 N4 C19 . 117.6(7)
O7 N4 C19 . 117.3(7)
C27 N5 C31 . 119.0(4)
C27 N5 Cu2 . 126.4(3)
C31 N5 Cu2 . 114.6(3)
C36 N6 C32 . 118.6(4)
C36 N6 Cu2 . 126.6(3)
C32 N6 Cu2 . 114.7(3)
C8 O3 H3A . 109.5
C7 O6 Cu1 . 113.7(3)
C7 O6 Cu1 2_667 141.6(3)
Cu1 O6 Cu1 2_667 101.67(13)
C25 O9 Cu2 . 116.4(3)
C25 O9 Cu2 2_676 142.6(3)
Cu2 O9 Cu2 2_676 100.71(13)
C26 O12 H12A . 109.5
H1W O13 H2W . 108(3)
H3W O14 H4W . 110(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 C2 . 1.366(7)
C1 C6 . 1.375(7)
C1 N3 . 1.466(7)
C2 C3 . 1.392(8)
C2 H2 . 0.9300
C3 C4 . 1.384(7)
C3 H3 . 0.9300
C4 C5 . 1.411(7)
C4 C8 . 1.487(8)
C5 C6 . 1.388(7)
C5 C7 . 1.520(6)
C6 H6 . 0.9300
C7 O5 . 1.233(6)
C7 O6 . 1.279(6)
C8 O4 . 1.206(6)
C8 O3 . 1.322(6)
C9 N1 . 1.336(6)
C9 C10 . 1.374(7)
C9 H9 . 0.9300
C10 C11 . 1.392(8)
C10 H10 . 0.9300
C11 C12 . 1.357(8)
C11 H11 . 0.9300
C12 C13 . 1.375(7)
C12 H12 . 0.9300
C13 N1 . 1.356(6)
C13 C14 . 1.487(7)
C14 N2 . 1.358(6)
C14 C15 . 1.380(7)
C15 C16 . 1.371(7)
C15 H15 . 0.9300
C16 C17 . 1.375(8)
C16 H16 . 0.9300
C17 C18 . 1.379(7)
C17 H17 . 0.9300
C18 N2 . 1.337(6)
C18 H18 . 0.9300
C19 C24 . 1.363(7)
C19 N4 . 1.427(8)
C19 C20 . 1.439(8)
C20 C21 . 1.369(8)
C20 H20 . 0.9300
C21 C22 . 1.395(8)
C21 C25 . 1.519(7)
C22 C23 . 1.358(8)
C22 C26 . 1.493(9)
C23 C24 . 1.356(7)
C23 H23 . 0.9300
C24 H24 . 0.9300
C25 O10 . 1.216(6)
C25 O9 . 1.280(6)
C26 O11 . 1.186(7)
C26 O12 . 1.321(7)
C27 N5 . 1.330(6)
C27 C28 . 1.375(7)
C27 H27 . 0.9300
C28 C29 . 1.364(8)
C28 H28 . 0.9300
C29 C30 . 1.381(7)
C29 H29 . 0.9300
C30 C31 . 1.378(6)
C30 H30 . 0.9300
C31 N5 . 1.358(6)
C31 C32 . 1.478(6)
C32 N6 . 1.341(6)
C32 C33 . 1.388(6)
C33 C34 . 1.373(7)
C33 H33 . 0.9300
C34 C35 . 1.364(7)
C34 H34 . 0.9300
C35 C36 . 1.373(7)
C35 H35 . 0.9300
C36 N6 . 1.335(6)
C36 H36 . 0.9300
Cl1 Cu1 . 2.2680(14)
Cl2 Cu2 . 2.2509(14)
Cu1 O6 . 1.968(3)
Cu1 N1 . 1.992(4)
Cu1 N2 . 1.995(4)
Cu1 O6 2_667 2.331(3)
Cu2 O9 . 1.966(3)
Cu2 N5 . 1.999(4)
Cu2 N6 . 2.014(4)
Cu2 O9 2_676 2.341(3)
N3 O2 . 1.222(6)
N3 O1 . 1.226(6)
N4 O8 . 1.233(8)
N4 O7 . 1.288(8)
O3 H3A . 0.8200
O6 Cu1 2_667 2.331(3)
O9 Cu2 2_676 2.341(3)
O12 H12A . 0.8200
O13 H1W . 0.834(10)
O13 H2W . 0.838(10)
O14 H3W . 0.834(10)
O14 H4W . 0.831(10)
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
O3 H3A O14 2_566 0.82 1.87 2.664(6) 163.9
O12 H12A O13 . 0.82 2.03 2.611(8) 127.3
O13 H1W O14 . 0.830(10) 2.64(5) 3.229(7) 129(5)
O13 H2W Cl1 2_666 0.840(10) 2.34(2) 3.168(5) 169(8)
O14 H3W O11 . 0.830(10) 2.20(3) 2.992(7) 158(8)
O14 H4W O5 2_666 0.830(10) 2.30(5) 3.010(6) 143(7)
