#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:10:59 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180469 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/38/7213876.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7213876
loop_
_publ_author_name
'Ding, Caixia'
'Rui, Xing'
'Wang, Cheng'
'Xie, Yongshu'
_publ_section_title
;
 Coordination polymers of a multipyridyl and pyrazolyl ligand with
 conformational flexibility: syntheses, structures and luminescence
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1010
_journal_paper_doi               10.1039/c3ce42147c
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C64 H48 Cl3 Cu2 N23 O12'
_chemical_formula_weight         1564.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 99.831(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   34.166(3)
_cell_length_b                   8.5280(9)
_cell_length_c                   24.721(2)
_cell_measurement_reflns_used    5478
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.05
_cell_measurement_theta_min      2.42
_cell_volume                     7097.1(11)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'multiwire proportional'
_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  0.0404
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            20147
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.21
_exptl_absorpt_coefficient_mu    0.789
_exptl_absorpt_correction_T_max  0.9044
_exptl_absorpt_correction_T_min  0.8271
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3192
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.523
_refine_diff_density_min         -1.108
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         6228
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0726
_refine_ls_R_factor_gt           0.0582
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1196P)²+7.7541P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1777
_refine_ls_wR_factor_ref         0.1882
_reflns_number_gt                4804
_reflns_number_total             6228
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42147c.txt
_cod_data_source_block           c2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        7096.9(12)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7213876
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.571356(13) 0.16805(5) 0.58057(2) 0.0364(2) Uani 1 1 d . . .
Cl1 Cl 0.73809(4) 0.52618(14) 0.59509(5) 0.0540(3) Uani 1 1 d . . .
Cl2 Cl 0.4884(5) 0.773(2) 0.7332(6) 0.091(5) Uani 0.287(13) 1 d P . 1
Cl2' Cl 0.4682(7) 0.836(2) 0.7164(8) 0.087(5) Uani 0.213(13) 1 d P . 2
N1 N 0.52300(10) 0.2432(4) 0.60752(14) 0.0416(8) Uani 1 1 d . . .
N2 N 0.56915(9) 0.3782(4) 0.54692(12) 0.0319(7) Uani 1 1 d . . .
N3 N 0.58017(9) -0.0417(4) 0.61386(13) 0.0363(7) Uani 1 1 d . . .
N4 N 0.61911(9) 0.1130(3) 0.54925(12) 0.0306(7) Uani 1 1 d . . .
N5 N 0.51951(10) 0.4013(4) 0.59934(14) 0.0410(8) Uani 1 1 d . . .
N6 N 0.61436(9) -0.1053(4) 0.60241(12) 0.0326(7) Uani 1 1 d . . .
N7 N 0.62020(10) 0.3409(4) 0.49293(13) 0.0386(8) Uani 1 1 d . . .
N8 N 0.60719(11) 0.7193(4) 0.16514(14) 0.0450(8) Uani 1 1 d . . .
N9 N 0.80462(13) 0.4948(7) 0.3144(2) 0.0724(13) Uani 1 1 d . . .
N10 N 0.68117(11) 0.5554(5) 0.30804(14) 0.0514(10) Uani 1 1 d . . .
N13 N 0.5000 0.0000 0.5000 0.086(2) Uani 1 2 d S . .
N14 N 0.53047(15) 0.0721(6) 0.4909(3) 0.091(2) Uani 1 1 d . . .
O1 O 0.74735(15) 0.6586(5) 0.5654(2) 0.1022(17) Uani 1 1 d . A .
O2 O 0.69603(14) 0.5325(7) 0.5936(2) 0.090(2) Uani 0.942(12) 1 d P A 1
O3 O 0.7567(3) 0.5154(10) 0.6500(3) 0.146(3) Uani 0.942(12) 1 d P A 1
O4 O 0.74685(19) 0.3901(5) 0.5669(2) 0.086(2) Uani 0.942(12) 1 d P A 1
O5 O 0.478(3) 0.793(10) 0.675(4) 0.105(18) Uani 0.287(13) 1 d P . 1
O6 O 0.5000 0.93(13) 0.7500 0.15(10) Uani 0.57(3) 2 d SP . 1
O7 O 0.5230(12) 0.677(8) 0.744(6) 0.112(14) Uani 0.287(13) 1 d P . 1
O8 O 0.457(5) 0.696(15) 0.751(7) 0.11(3) Uani 0.287(13) 1 d P . 1
O2' O 0.772(3) 0.430(10) 0.606(4) 0.09(3) Uani 0.058(12) 1 d P A 2
O3' O 0.707(2) 0.443(9) 0.564(3) 0.08(3) Uani 0.058(12) 1 d P A 2
O4' O 0.727(3) 0.576(10) 0.644(4) 0.09(3) Uani 0.058(12) 1 d P A 2
O5' O 0.477(3) 0.826(13) 0.663(6) 0.084(19) Uani 0.213(13) 1 d P . 2
O6' O 0.5000 0.91(18) 0.7500 0.15(8) Uani 0.43(3) 2 d SP . 2
O7' O 0.4327(9) 0.930(4) 0.7114(12) 0.130(14) Uani 0.213(13) 1 d P . 2
O8' O 0.460(6) 0.684(18) 0.734(4) 0.10(3) Uani 0.213(13) 1 d P . 2
C1 C 0.78469(16) 0.6133(8) 0.2875(2) 0.0663(14) Uani 1 1 d . . .
H1 H 0.7992 0.6849 0.2691 0.080 Uiso 1 1 calc R . .
C2 C 0.74433(14) 0.6404(6) 0.28420(19) 0.0532(11) Uani 1 1 d . . .
H2 H 0.7319 0.7286 0.2650 0.064 Uiso 1 1 calc R . .
C3 C 0.72278(12) 0.5340(5) 0.30991(16) 0.0436(10) Uani 1 1 d . . .
C4 C 0.74243(14) 0.4101(6) 0.33788(19) 0.0514(11) Uani 1 1 d . . .
H4 H 0.7285 0.3353 0.3558 0.062 Uiso 1 1 calc R . .
C5 C 0.78275(16) 0.3968(7) 0.3393(2) 0.0622(13) Uani 1 1 d . . .
H5 H 0.7960 0.3119 0.3595 0.075 Uiso 1 1 calc R . .
C6 C 0.65656(12) 0.6076(6) 0.26013(17) 0.0457(10) Uani 1 1 d . . .
C7 C 0.66540(11) 0.5799(5) 0.20852(15) 0.0363(8) Uani 1 1 d . . .
H7 H 0.6885 0.5224 0.2042 0.044 Uiso 1 1 calc R . .
C8 C 0.63991(11) 0.6379(5) 0.16312(16) 0.0356(8) Uani 1 1 d . . .
H8 H 0.6464 0.6175 0.1279 0.043 Uiso 1 1 calc R . .
C9 C 0.59903(16) 0.7452(8) 0.21587(19) 0.0681(16) Uani 1 1 d . . .
H9 H 0.5760 0.8047 0.2190 0.082 Uiso 1 1 calc R . .
C10 C 0.62204(15) 0.6908(7) 0.2633(2) 0.0667(16) Uani 1 1 d . . .
H10 H 0.6144 0.7100 0.2979 0.080 Uiso 1 1 calc R . .
C11 C 0.66467(13) 0.5079(5) 0.35471(17) 0.0464(10) Uani 1 1 d . . .
C12 C 0.63165(14) 0.4104(7) 0.34829(18) 0.0552(12) Uani 1 1 d . . .
H12 H 0.6191 0.3806 0.3125 0.066 Uiso 1 1 calc R . .
C13 C 0.68233(13) 0.5552(5) 0.40681(18) 0.0469(10) Uani 1 1 d . . .
H13 H 0.7042 0.6256 0.4112 0.056 Uiso 1 1 calc R . .
C14 C 0.59086(12) 0.4340(4) 0.51071(15) 0.0364(8) Uani 1 1 d . . .
C15 C 0.58467(14) 0.5883(5) 0.49006(18) 0.0474(10) Uani 1 1 d . . .
H15 H 0.6002 0.6283 0.4648 0.057 Uiso 1 1 calc R . .
C16 C 0.55607(14) 0.6792(5) 0.50696(19) 0.0496(11) Uani 1 1 d . . .
H16 H 0.5518 0.7830 0.4933 0.059 Uiso 1 1 calc R . .
C17 C 0.53305(13) 0.6219(5) 0.54399(18) 0.0468(10) Uani 1 1 d . . .
H17 H 0.5128 0.6831 0.5557 0.056 Uiso 1 1 calc R . .
C18 C 0.54127(11) 0.4719(4) 0.56245(16) 0.0361(8) Uani 1 1 d . . .
C19 C 0.63644(12) 0.1971(4) 0.51328(16) 0.0362(8) Uani 1 1 d . . .
C20 C 0.67061(13) 0.1409(5) 0.49542(19) 0.0491(11) Uani 1 1 d . . .
H20 H 0.6830 0.2009 0.4707 0.059 Uiso 1 1 calc R . .
C21 C 0.68608(14) -0.0024(6) 0.5142(2) 0.0534(12) Uani 1 1 d . . .
H21 H 0.7095 -0.0404 0.5027 0.064 Uiso 1 1 calc R . .
C22 C 0.66787(13) -0.0908(5) 0.54939(18) 0.0461(10) Uani 1 1 d . . .
H22 H 0.6776 -0.1914 0.5616 0.055 Uiso 1 1 calc R . .
C23 C 0.63488(11) -0.0264(4) 0.56603(15) 0.0330(8) Uani 1 1 d . . .
C24 C 0.62393(13) -0.2382(5) 0.63217(17) 0.0428(9) Uani 1 1 d . . .
H24 H 0.6466 -0.3024 0.6318 0.051 Uiso 1 1 calc R . .
C25 C 0.59457(14) -0.2615(5) 0.66268(18) 0.0491(11) Uani 1 1 d . . .
H25 H 0.5924 -0.3459 0.6871 0.059 Uiso 1 1 calc R . .
C26 C 0.56840(13) -0.1357(5) 0.65053(18) 0.0448(10) Uani 1 1 d . . .
H26 H 0.5453 -0.1198 0.6664 0.054 Uiso 1 1 calc R . .
C27 C 0.49853(14) 0.2060(6) 0.6426(2) 0.0593(13) Uani 1 1 d . . .
H27 H 0.4944 0.1036 0.6556 0.071 Uiso 1 1 calc R . .
C28 C 0.47992(18) 0.3444(7) 0.6570(3) 0.0738(16) Uani 1 1 d . . .
H28 H 0.4614 0.3523 0.6816 0.089 Uiso 1 1 calc R . .
C29 C 0.49351(15) 0.4637(6) 0.6290(2) 0.0621(13) Uani 1 1 d . . .
H29 H 0.4862 0.5710 0.6300 0.074 Uiso 1 1 calc R . .
C30 C 0.63561(12) 0.4013(5) 0.44551(16) 0.0398(9) Uani 1 1 d . . .
C31 C 0.61683(14) 0.3562(6) 0.39359(18) 0.0501(11) Uani 1 1 d . . .
H31 H 0.5942 0.2895 0.3892 0.060 Uiso 1 1 calc R . .
C32 C 0.66827(13) 0.5003(5) 0.45226(17) 0.0457(10) Uani 1 1 d . . .
H32 H 0.6809 0.5301 0.4880 0.055 Uiso 1 1 calc R . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
N3 Cu1 N2 173.39(13) . .
N3 Cu1 N4 82.56(12) . .
N2 Cu1 N4 91.45(12) . .
N3 Cu1 N1 103.22(14) . .
N2 Cu1 N1 82.79(13) . .
N4 Cu1 N1 174.20(13) . .
N3 Cu1 N8 88.91(13) . 6_566
N2 Cu1 N8 88.92(13) . 6_566
N4 Cu1 N8 95.88(12) . 6_566
N1 Cu1 N8 84.83(13) . 6_566
N3 Cu1 N14 95.39(17) . .
N2 Cu1 N14 87.07(16) . .
N4 Cu1 N14 87.10(16) . .
N1 Cu1 N14 91.82(16) . .
N8 Cu1 N14 175.07(14) 6_566 .
O4' Cl1 O3' 109(5) . .
O4' Cl1 O2' 111(6) . .
O3' Cl1 O2' 109(5) . .
O4' Cl1 O3 48(4) . .
O3' Cl1 O3 133(3) . .
O2' Cl1 O3 64(4) . .
O4' Cl1 O1 109(3) . .
O3' Cl1 O1 110(3) . .
O2' Cl1 O1 108(4) . .
O3 Cl1 O1 116.8(4) . .
O4' Cl1 O4 142(3) . .
O3' Cl1 O4 61(4) . .
O2' Cl1 O4 51(5) . .
O3 Cl1 O4 109.0(4) . .
O1 Cl1 O4 108.4(3) . .
O4' Cl1 O2 66(4) . .
O3' Cl1 O2 48(4) . .
O2' Cl1 O2 145(4) . .
O3 Cl1 O2 108.3(4) . .
O1 Cl1 O2 105.7(3) . .
O4 Cl1 O2 108.4(4) . .
Cl2 Cl2 O7 83(5) 2_656 2_656
Cl2 Cl2 O8 106(8) 2_656 .
O7 Cl2 O8 30(8) 2_656 .
Cl2 Cl2 O7 51(5) 2_656 .
O7 Cl2 O7 81(7) 2_656 .
O8 Cl2 O7 110(10) . .
Cl2 Cl2 O5 146(4) 2_656 .
O7 Cl2 O5 124(7) 2_656 .
O8 Cl2 O5 107(9) . .
O7 Cl2 O5 108(7) . .
Cl2 Cl2 O6 69(10) 2_656 .
O7 Cl2 O6 130(10) 2_656 .
O8 Cl2 O6 123(5) . .
O7 Cl2 O6 108(10) . .
O5 Cl2 O6 101(10) . .
Cl2 Cl2 O8 43(5) 2_656 2_656
O7 Cl2 O8 93(3) 2_656 2_656
O8 Cl2 O8 123(9) . 2_656
O7 Cl2 O8 15(5) . 2_656
O5 Cl2 O8 108(6) . 2_656
O6 Cl2 O8 93(10) . 2_656
O6' Cl2' O5' 108(7) . .
O6' Cl2' O8' 114(10) . .
O5' Cl2' O8' 108(6) . .
O6' Cl2' O7' 111(10) . .
O5' Cl2' O7' 106(5) . .
O8' Cl2' O7' 108(9) . .
C27 N1 N5 106.3(3) . .
C27 N1 Cu1 141.7(3) . .
N5 N1 Cu1 108.9(2) . .
C14 N2 C18 118.5(3) . .
C14 N2 Cu1 128.1(2) . .
C18 N2 Cu1 113.4(3) . .
C26 N3 N6 105.9(3) . .
C26 N3 Cu1 142.5(3) . .
N6 N3 Cu1 110.5(2) . .
C23 N4 C19 118.4(3) . .
C23 N4 Cu1 113.8(2) . .
C19 N4 Cu1 127.8(2) . .
C29 N5 N1 110.9(4) . .
C29 N5 C18 130.7(4) . .
N1 N5 C18 118.4(3) . .
C24 N6 N3 110.8(3) . .
C24 N6 C23 130.3(3) . .
N3 N6 C23 118.9(3) . .
C19 N7 C14 129.8(3) . .
C19 N7 C30 115.0(3) . .
C14 N7 C30 115.2(3) . .
C8 N8 C9 115.5(4) . .
C8 N8 Cu1 118.6(3) . 6_565
C9 N8 Cu1 125.5(3) . 6_565
C1 N9 C5 115.2(5) . .
C6 N10 C3 121.2(3) . .
C6 N10 C11 120.7(4) . .
C3 N10 C11 117.8(3) . .
N14 N13 N14 180.0(6) . 5_656
N13 N14 Cu1 110.3(4) . .
Cl2 O6 Cl2 42(10) . 2_656
O8 O7 Cl2 98(10) 2_656 2_656
O8 O7 Cl2 131(10) 2_656 .
Cl2 O7 Cl2 47(3) 2_656 .
O8 O7 O7 153(10) 2_656 2_656
Cl2 O7 O7 58(7) 2_656 2_656
Cl2 O7 O7 41.4(17) . 2_656
O7 O8 Cl2 52(10) 2_656 .
O7 O8 Cl2 33(10) 2_656 2_656
Cl2 O8 Cl2 31(4) . 2_656
Cl2' O6' Cl2' 126(10) 2_656 .
N9 C1 C2 125.1(5) . .
C1 C2 C3 117.7(5) . .
C4 C3 C2 118.7(4) . .
C4 C3 N10 120.9(4) . .
C2 C3 N10 120.3(4) . .
C3 C4 C5 118.5(5) . .
N9 C5 C4 124.8(5) . .
C7 C6 C10 117.5(4) . .
C7 C6 N10 122.1(4) . .
C10 C6 N10 120.4(4) . .
C6 C7 C8 118.7(4) . .
N8 C8 C7 125.0(4) . .
N8 C9 C10 123.9(4) . .
C9 C10 C6 119.4(4) . .
C13 C11 C12 119.8(4) . .
C13 C11 N10 120.0(4) . .
C12 C11 N10 120.2(4) . .
C31 C12 C11 120.6(4) . .
C32 C13 C11 120.2(4) . .
N2 C14 N7 120.8(3) . .
N2 C14 C15 120.3(4) . .
N7 C14 C15 118.9(4) . .
C16 C15 C14 119.2(4) . .
C15 C16 C17 121.0(4) . .
C18 C17 C16 116.1(4) . .
N2 C18 C17 124.9(4) . .
N2 C18 N5 114.1(3) . .
C17 C18 N5 120.9(4) . .
N4 C19 C20 120.4(3) . .
N4 C19 N7 120.5(3) . .
C20 C19 N7 119.1(4) . .
C21 C20 C19 119.3(4) . .
C22 C21 C20 120.6(4) . .
C21 C22 C23 116.8(4) . .
N4 C23 C22 124.5(4) . .
N4 C23 N6 113.9(3) . .
C22 C23 N6 121.6(3) . .
N6 C24 C25 106.8(4) . .
C24 C25 C26 105.8(4) . .
N3 C26 C25 110.8(4) . .
N1 C27 C28 108.8(5) . .
C29 C28 C27 106.8(5) . .
N5 C29 C28 107.2(4) . .
C32 C30 C31 121.0(4) . .
C32 C30 N7 120.8(4) . .
C31 C30 N7 118.2(4) . .
C12 C31 C30 118.7(4) . .
C13 C32 C30 119.6(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N3 1.971(3) .
Cu1 N2 1.972(3) .
Cu1 N4 1.978(3) .
Cu1 N1 1.990(3) .
Cu1 N8 2.433(3) 6_566
Cu1 N14 2.546(5) .
Cl1 O4' 1.40(7) .
Cl1 O3' 1.40(8) .
Cl1 O2' 1.40(8) .
Cl1 O3 1.401(6) .
Cl1 O1 1.412(4) .
Cl1 O4 1.412(5) .
Cl1 O2 1.432(5) .
Cl2 Cl2 1.05(4) 2_656
Cl2 O7 1.11(9) 2_656
Cl2 O8 1.39(11) .
Cl2 O7 1.43(6) .
Cl2 O5 1.44(10) .
Cl2 O6 1.4(11) .
Cl2 O8 1.95(16) 2_656
Cl2' O6' 1.4(7) .
Cl2' O5' 1.41(13) .
Cl2' O8' 1.42(15) .
Cl2' O7' 1.44(4) .
N1 C27 1.341(6) .
N1 N5 1.366(5) .
N2 C14 1.344(5) .
N2 C18 1.348(5) .
N3 C26 1.323(5) .
N3 N6 1.361(4) .
N4 C23 1.341(5) .
N4 C19 1.355(5) .
N5 C29 1.354(5) .
N5 C18 1.406(5) .
N6 C24 1.360(5) .
N6 C23 1.403(5) .
N7 C19 1.403(5) .
N7 C14 1.407(5) .
N7 C30 1.459(5) .
N8 C8 1.324(5) .
N8 C9 1.349(6) .
N8 Cu1 2.433(3) 6_565
N9 C1 1.331(8) .
N9 C5 1.340(8) .
N10 C6 1.403(5) .
N10 C3 1.426(5) .
N10 C11 1.426(5) .
N13 N14 1.262(6) .
N13 N14 1.262(6) 5_656
O6 Cl2 1.4(10) 2_656
O7 O8 0.69(17) 2_656
O7 Cl2 1.11(9) 2_656
O7 O7 1.66(15) 2_656
O8 O7 0.69(17) 2_656
O8 Cl2 1.95(16) 2_656
O6' Cl2' 1.4(7) 2_656
C1 C2 1.386(7) .
C2 C3 1.389(6) .
C3 C4 1.373(6) .
C4 C5 1.376(7) .
C6 C7 1.381(6) .
C6 C10 1.390(6) .
C7 C8 1.389(5) .
C9 C10 1.376(7) .
C11 C13 1.385(6) .
C11 C12 1.389(6) .
C12 C31 1.385(6) .
C13 C32 1.377(6) .
C14 C15 1.414(6) .
C15 C16 1.368(6) .
C16 C17 1.393(7) .
C17 C18 1.371(6) .
C19 C20 1.401(6) .
C20 C21 1.380(6) .
C21 C22 1.378(6) .
C22 C23 1.379(5) .
C24 C25 1.368(6) .
C25 C26 1.396(6) .
C27 C28 1.415(7) .
C28 C29 1.357(8) .
C30 C32 1.386(6) .
C30 C31 1.388(6) .
