#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/52/7005209.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_7005209
loop_
_publ_author_name
'Tandon, Santokh S.'
'Dawe, Louise N.'
'Milway, Victoria A.'
'Collins, Julie L.'
'Thompson, Laurence K.'
_publ_section_title
;
 Linear copper ?chain? complexes with bulky tritopic hydrazone
 ligands?structural and magnetic studies
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              1948
_journal_paper_doi               10.1039/B618067A
_journal_year                    2007
_chemical_formula_sum            'C35.5 H31.5 Cl2 Cu2 N8.5 O11.5'
_chemical_formula_weight         959.19
_chemical_name_systematic
;
?
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.994(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.310(3)
_cell_length_b                   16.369(3)
_cell_length_c                   18.756(4)
_cell_measurement_reflns_used    15150
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      30.7845
_cell_measurement_theta_min      2.0266
_cell_volume                     3908.0(14)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics
'CrystalStructure 3.7.0(Rigaku/MSC Inc.,2005)'
_computing_publication_material  'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al, 1994)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0552
_diffrn_reflns_av_sigmaI/netI    0.0419
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36349
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    1.298
_exptl_absorpt_correction_T_max  0.9090
_exptl_absorpt_correction_T_min  0.7380
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.062
_refine_diff_density_min         -0.790
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       0.0021(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     558
_refine_ls_number_reflns         8934
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0806
_refine_ls_R_factor_gt           0.0760
_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)+(0.0990P)²+10.1671P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2046
_refine_ls_wR_factor_ref         0.2088
_reflns_number_gt                8239
_reflns_number_total             8934
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B618067A.txt
_cod_data_source_block           shelxl_(4)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Numerical' changed to 'numerical'
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 
;
_cod_original_cell_volume        3908.0(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C35.50 H31.50 Cl2 Cu2 N8.50 O11.50'
_cod_database_code               7005209
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_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 0.99968(4) 0.30742(3) 0.37169(3) 0.02988(17) Uani 1 1 d . . .
Cu2 Cu 1.00134(4) 0.32824(4) 0.11415(3) 0.03385(17) Uani 1 1 d . . .
Cl1 Cl 0.93795(11) 0.03366(8) 0.32406(7) 0.0483(3) Uani 1 1 d . . .
Cl2 Cl 0.48290(14) 0.10251(13) 0.29194(15) 0.0872(7) Uani 1 1 d . . .
O1 O 1.0910(3) 0.1571(2) 0.54919(17) 0.0368(7) Uani 1 1 d . . .
O2 O 1.1007(3) 0.2564(2) 0.18955(16) 0.0359(7) Uani 1 1 d . . .
O3 O 1.0080(4) 0.0375(4) 0.3992(3) 0.0766(14) Uani 1 1 d . . .
O4 O 0.9937(6) 0.0553(4) 0.2743(3) 0.100(2) Uani 1 1 d . . .
O5 O 0.8567(5) 0.0895(4) 0.3204(3) 0.099(2) Uani 1 1 d . . .
O6 O 0.9012(5) -0.0472(3) 0.3125(4) 0.0900(18) Uani 1 1 d . . .
O7 O 0.5736(4) 0.0812(4) 0.2698(4) 0.0932(19) Uani 1 1 d . . .
O8 O 0.3907(5) 0.1054(5) 0.2295(4) 0.109(2) Uani 1 1 d . . .
O9 O 0.4638(5) 0.0406(4) 0.3421(4) 0.101(2) Uani 1 1 d . . .
O10 O 0.4993(6) 0.1777(4) 0.3327(6) 0.141(4) Uani 1 1 d . . .
O11 O 1.4559(8) 0.3678(10) 0.0722(10) 0.111(6) Uani 0.50 1 d P . .
O12 O 1.1616(4) 0.3883(3) 0.4025(3) 0.0638(12) Uani 1 1 d . . .
N1 N 0.9282(3) 0.4037(2) 0.39324(19) 0.0303(7) Uani 1 1 d . . .
N2 N 0.9465(3) 0.2757(2) 0.51427(19) 0.0308(7) Uani 1 1 d . . .
N3 N 1.0133(3) 0.2644(2) 0.47131(19) 0.0315(8) Uani 1 1 d . . .
N4 N 1.0993(3) 0.2212(2) 0.37406(19) 0.0316(7) Uani 1 1 d . . .
N5 N 0.9927(3) 0.2970(2) 0.26043(17) 0.0291(7) Uani 1 1 d . . .
N6 N 0.9345(3) 0.3298(2) 0.19300(19) 0.0309(7) Uani 1 1 d . . .
N7 N 0.8681(3) 0.3854(2) 0.0617(2) 0.0335(8) Uani 1 1 d . . .
N8 N 1.3781(9) 0.3239(7) 0.1406(7) 0.064(3) Uani 0.50 1 d P . .
N9 N 1.3108(13) 0.3885(10) 0.3669(9) 0.089(4) Uiso 0.50 1 d P . .
N10 N 1.3403(15) 0.4206(11) 0.4200(11) 0.100(5) Uiso 0.50 1 d P . .
C1 C 0.9334(4) 0.4710(3) 0.3529(2) 0.0355(9) Uani 1 1 d . . .
H1 H 0.9635 0.4665 0.3129 0.043 Uiso 1 1 calc R . .
C2 C 0.8969(4) 0.5456(3) 0.3674(3) 0.0421(11) Uani 1 1 d . . .
H2 H 0.9018 0.5919 0.3381 0.050 Uiso 1 1 calc R . .
C3 C 0.8529(5) 0.5526(3) 0.4251(3) 0.0455(12) Uani 1 1 d . . .
H3 H 0.8276 0.6038 0.4363 0.055 Uiso 1 1 calc R . .
C4 C 0.8461(4) 0.4840(3) 0.4664(3) 0.0392(10) Uani 1 1 d . . .
H4 H 0.8142 0.4877 0.5054 0.047 Uiso 1 1 calc R . .
C5 C 0.8857(3) 0.4097(3) 0.4510(2) 0.0312(8) Uani 1 1 d . . .
C6 C 0.8856(3) 0.3386(3) 0.5011(2) 0.0310(8) Uani 1 1 d . . .
C7 C 0.8047(4) 0.3384(3) 0.5429(2) 0.0338(9) Uani 1 1 d . . .
C8 C 0.8141(4) 0.3833(4) 0.6072(3) 0.0438(11) Uani 1 1 d . . .
H5 H 0.8753 0.4151 0.6283 0.053 Uiso 1 1 calc R . .
C9 C 0.7333(4) 0.3818(4) 0.6412(3) 0.0500(13) Uani 1 1 d . . .
H6 H 0.7399 0.4126 0.6852 0.060 Uiso 1 1 calc R . .
C10 C 0.6447(4) 0.3360(4) 0.6111(3) 0.0522(14) Uani 1 1 d . . .
H7 H 0.5894 0.3363 0.6336 0.063 Uiso 1 1 calc R . .
C11 C 0.6358(4) 0.2897(4) 0.5484(3) 0.0509(13) Uani 1 1 d . . .
H8 H 0.5755 0.2565 0.5287 0.061 Uiso 1 1 calc R . .
C12 C 0.7148(4) 0.2914(3) 0.5138(3) 0.0434(11) Uani 1 1 d . . .
H9 H 0.7075 0.2602 0.4698 0.052 Uiso 1 1 calc R . .
C13 C 1.0784(4) 0.2008(3) 0.4925(2) 0.0332(9) Uani 1 1 d . . .
C14 C 1.1395(4) 0.1830(3) 0.4383(2) 0.0340(9) Uani 1 1 d . . .
C15 C 1.2271(4) 0.1352(4) 0.4501(3) 0.0477(13) Uani 1 1 d . . .
H10 H 1.2561 0.1077 0.4961 0.057 Uiso 1 1 calc R . .
C16 C 1.2725(4) 0.1283(4) 0.3919(3) 0.0496(13) Uani 1 1 d . . .
H11 H 1.3346 0.0969 0.3989 0.060 Uiso 1 1 calc R . .
C17 C 1.2275(4) 0.1670(3) 0.3237(3) 0.0412(11) Uani 1 1 d . . .
H12 H 1.2570 0.1615 0.2835 0.049 Uiso 1 1 calc R . .
C18 C 1.1395(4) 0.2133(3) 0.3167(2) 0.0329(9) Uani 1 1 d . . .
C19 C 1.0756(3) 0.2587(3) 0.2498(2) 0.0319(9) Uani 1 1 d . . .
C20 C 0.8394(4) 0.3553(3) 0.1788(2) 0.0316(9) Uani 1 1 d . . .
C21 C 0.7755(3) 0.3491(3) 0.2311(2) 0.0317(8) Uani 1 1 d . . .
C22 C 0.7725(4) 0.2744(3) 0.2665(2) 0.0350(9) Uani 1 1 d . . .
H13 H 0.8146 0.2300 0.2594 0.042 Uiso 1 1 calc R . .
C23 C 0.7077(4) 0.2651(3) 0.3121(3) 0.0428(11) Uani 1 1 d . . .
H14 H 0.7036 0.2138 0.3349 0.051 Uiso 1 1 calc R . .
C24 C 0.6496(4) 0.3303(4) 0.3243(3) 0.0505(13) Uani 1 1 d . . .
H15 H 0.6059 0.3237 0.3559 0.061 Uiso 1 1 calc R . .
C25 C 0.6538(4) 0.4049(4) 0.2915(3) 0.0482(12) Uani 1 1 d . . .
H16 H 0.6143 0.4495 0.3014 0.058 Uiso 1 1 calc R . .
C26 C 0.7159(4) 0.4153(3) 0.2437(3) 0.0377(10) Uani 1 1 d . . .
H17 H 0.7177 0.4663 0.2200 0.045 Uiso 1 1 calc R . .
C27 C 0.7979(4) 0.3871(3) 0.1020(2) 0.0336(9) Uani 1 1 d . . .
C28 C 0.6953(4) 0.4115(3) 0.0703(3) 0.0412(10) Uani 1 1 d . . .
H18 H 0.6468 0.4114 0.0987 0.049 Uiso 1 1 calc R . .
C29 C 0.6640(5) 0.4362(4) -0.0037(3) 0.0478(12) Uani 1 1 d . . .
H19 H 0.5936 0.4531 -0.0264 0.057 Uiso 1 1 calc R . .
C30 C 0.7352(5) 0.4363(4) -0.0439(3) 0.0490(13) Uani 1 1 d . . .
H20 H 0.7151 0.4536 -0.0944 0.059 Uiso 1 1 calc R . .
C31 C 0.8383(4) 0.4102(3) -0.0089(3) 0.0420(11) Uani 1 1 d . . .
H21 H 0.8881 0.4104 -0.0363 0.050 Uiso 1 1 calc R . .
C32 C 1.4327(10) 0.3685(15) 0.1111(9) 0.078(5) Uani 0.50 1 d P . .
H22 H 1.4547 0.4168 0.1396 0.093 Uiso 0.50 1 calc PR . .
C33 C 1.3393(17) 0.2501(11) 0.1118(10) 0.100(6) Uani 0.50 1 d P . .
H23 H 1.3866 0.2256 0.0863 0.120 Uiso 0.50 1 calc PR . .
H24 H 1.2696 0.2576 0.0761 0.120 Uiso 0.50 1 calc PR . .
H25 H 1.3339 0.2140 0.1521 0.120 Uiso 0.50 1 calc PR . .
C34 C 1.3521(12) 0.3508(13) 0.2041(13) 0.107(8) Uani 0.50 1 d P . .
H26 H 1.2848 0.3268 0.2045 0.128 Uiso 0.50 1 calc PR . .
H27 H 1.3464 0.4105 0.2030 0.128 Uiso 0.50 1 calc PR . .
H28 H 1.4070 0.3339 0.2490 0.128 Uiso 0.50 1 calc PR . .
C35 C 1.2216(8) 0.4048(5) 0.3658(6) 0.087(3) Uani 1 1 d . . .
C36 C 1.377(2) 0.3486(18) 0.4355(16) 0.129(8) Uiso 0.50 1 d P . .
C37 C 1.355(2) 0.4035(19) 0.4868(17) 0.137(9) Uiso 0.50 1 d P . .
C38 C 1.357(2) 0.4074(16) 0.3039(15) 0.122(7) Uiso 0.50 1 d P . .
C39 C 1.414(2) 0.4444(16) 0.3835(16) 0.129(8) Uiso 0.50 1 d P . .
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'
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'
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'
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
_geom_angle_publ_flag
N4 Cu1 N1 164.58(16) . . ?
N4 Cu1 N3 80.99(14) . . ?
N1 Cu1 N3 90.43(15) . . ?
N4 Cu1 N5 77.90(14) . . ?
N1 Cu1 N5 113.36(15) . . ?
N3 Cu1 N5 153.99(16) . . ?
N6 Cu2 O1 167.33(15) . 4_565 ?
N6 Cu2 N7 80.17(15) . . ?
O1 Cu2 N7 104.63(15) 4_565 . ?
N6 Cu2 O2 79.92(14) . . ?
O1 Cu2 O2 96.55(14) 4_565 . ?
N7 Cu2 O2 158.45(14) . . ?
N6 Cu2 N2 119.17(14) . 4_565 ?
O1 Cu2 N2 73.21(12) 4_565 4_565 ?
N7 Cu2 N2 85.80(14) . 4_565 ?
O2 Cu2 N2 96.77(13) . 4_565 ?
O4 Cl1 O5 110.8(4) . . ?
O4 Cl1 O6 111.3(4) . . ?
O5 Cl1 O6 112.2(4) . . ?
O4 Cl1 O3 108.9(4) . . ?
O5 Cl1 O3 106.8(3) . . ?
O6 Cl1 O3 106.7(4) . . ?
O8 Cl2 O7 111.5(4) . . ?
O8 Cl2 O10 111.8(5) . . ?
O7 Cl2 O10 110.8(4) . . ?
O8 Cl2 O9 106.4(4) . . ?
O7 Cl2 O9 109.9(4) . . ?
O10 Cl2 O9 106.3(5) . . ?
C13 O1 Cu2 120.4(3) . 4_566 ?
C19 O2 Cu2 108.6(3) . . ?
C1 N1 C5 119.2(4) . . ?
C1 N1 Cu1 115.9(3) . . ?
C5 N1 Cu1 124.4(3) . . ?
C6 N2 N3 118.3(3) . . ?
C6 N2 Cu2 136.3(3) . 4_566 ?
N3 N2 Cu2 104.6(2) . 4_566 ?
C13 N3 N2 113.8(3) . . ?
C13 N3 Cu1 115.8(3) . . ?
N2 N3 Cu1 128.0(3) . . ?
C14 N4 C18 122.3(4) . . ?
C14 N4 Cu1 117.3(3) . . ?
C18 N4 Cu1 119.1(3) . . ?
C19 N5 N6 108.2(3) . . ?
C19 N5 Cu1 113.2(3) . . ?
N6 N5 Cu1 137.5(3) . . ?
C20 N6 N5 124.7(4) . . ?
C20 N6 Cu2 119.4(3) . . ?
N5 N6 Cu2 115.7(3) . . ?
C31 N7 C27 119.5(4) . . ?
C31 N7 Cu2 126.8(3) . . ?
C27 N7 Cu2 113.1(3) . . ?
C32 N8 C33 122.5(17) . . ?
C32 N8 C34 120.3(16) . . ?
C33 N8 C34 117.2(14) . . ?
N10 N9 C35 89.8(16) . . ?
N10 N9 C36 57.1(15) . . ?
C35 N9 C36 116.0(17) . . ?
N10 N9 C38 120(2) . . ?
C35 N9 C38 124.1(17) . . ?
C36 N9 C38 119.8(18) . . ?
N10 N9 C39 59.2(15) . . ?
C35 N9 C39 131.0(16) . . ?
C36 N9 C39 80.1(16) . . ?
C38 N9 C39 61.1(15) . . ?
N9 N10 C37 136(2) . . ?
N9 N10 C36 76.9(19) . . ?
C37 N10 C36 68(2) . . ?
N9 N10 C39 78.7(19) . . ?
C37 N10 C39 129(2) . . ?
C36 N10 C39 96(2) . . ?
N9 N10 C35 48.0(12) . . ?
C37 N10 C35 115(2) . . ?
C36 N10 C35 103.2(18) . . ?
C39 N10 C35 115.3(18) . . ?
N1 C1 C2 122.4(4) . . ?
C1 C2 C3 119.2(5) . . ?
C2 C3 C4 119.1(5) . . ?
C3 C4 C5 120.2(4) . . ?
N1 C5 C4 119.9(4) . . ?
N1 C5 C6 121.3(4) . . ?
C4 C5 C6 118.7(4) . . ?
N2 C6 C5 128.7(4) . . ?
N2 C6 C7 113.9(4) . . ?
C5 C6 C7 117.4(4) . . ?
C8 C7 C12 118.8(4) . . ?
C8 C7 C6 123.8(4) . . ?
C12 C7 C6 117.4(4) . . ?
C7 C8 C9 120.0(5) . . ?
C10 C9 C8 120.3(5) . . ?
C9 C10 C11 120.1(5) . . ?
C10 C11 C12 120.1(6) . . ?
C11 C12 C7 120.6(5) . . ?
O1 C13 N3 127.7(4) . . ?
O1 C13 C14 119.9(4) . . ?
N3 C13 C14 112.4(4) . . ?
N4 C14 C15 121.0(4) . . ?
N4 C14 C13 111.7(4) . . ?
C15 C14 C13 127.3(4) . . ?
C14 C15 C16 117.6(5) . . ?
C15 C16 C17 120.9(4) . . ?
C18 C17 C16 117.6(4) . . ?
N4 C18 C17 120.6(4) . . ?
N4 C18 C19 111.3(4) . . ?
C17 C18 C19 128.1(4) . . ?
O2 C19 N5 126.2(4) . . ?
O2 C19 C18 120.1(4) . . ?
N5 C19 C18 113.7(3) . . ?
N6 C20 C21 124.3(4) . . ?
N6 C20 C27 112.4(4) . . ?
C21 C20 C27 123.2(4) . . ?
C22 C21 C26 119.9(4) . . ?
C22 C21 C20 118.5(4) . . ?
C26 C21 C20 121.5(4) . . ?
C23 C22 C21 119.8(5) . . ?
C24 C23 C22 119.8(5) . . ?
C23 C24 C25 121.1(5) . . ?
C24 C25 C26 120.3(5) . . ?
C25 C26 C21 119.0(5) . . ?
N7 C27 C28 121.3(4) . . ?
N7 C27 C20 114.3(4) . . ?
C28 C27 C20 124.2(4) . . ?
C27 C28 C29 119.1(5) . . ?
C30 C29 C28 119.7(5) . . ?
C29 C30 C31 118.7(5) . . ?
N7 C31 C30 121.7(5) . . ?
O11 C32 N8 138(3) . . ?
N9 C35 O12 137.6(12) . . ?
N9 C35 N10 42.1(10) . . ?
O12 C35 N10 110.9(10) . . ?
N10 C36 C37 54.9(18) . . ?
N10 C36 N9 46.0(14) . . ?
C37 C36 N9 97(2) . . ?
N10 C36 C39 44.7(14) . . ?
C37 C36 C39 88(2) . . ?
N9 C36 C39 52.7(13) . . ?
N10 C37 C36 57.1(18) . . ?
N9 C38 C39 62.3(15) . . ?
N10 C39 C38 98(2) . . ?
N10 C39 N9 42.0(12) . . ?
C38 C39 N9 56.7(14) . . ?
N10 C39 C36 39.8(13) . . ?
C38 C39 C36 92.3(19) . . ?
N9 C39 C36 47.2(12) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 N4 1.928(4) . ?
Cu1 N1 1.944(4) . ?
Cu1 N3 1.955(3) . ?
Cu1 N5 2.069(3) . ?
Cu2 N6 1.936(3) . ?
Cu2 O1 1.954(3) 4_565 ?
Cu2 N7 1.992(4) . ?
Cu2 O2 2.009(3) . ?
Cu2 N2 2.478(4) 4_565 ?
Cl1 O4 1.397(5) . ?
Cl1 O5 1.402(5) . ?
Cl1 O6 1.406(5) . ?
Cl1 O3 1.446(5) . ?
Cl2 O8 1.428(7) . ?
Cl2 O7 1.429(5) . ?
Cl2 O10 1.431(6) . ?
Cl2 O9 1.455(8) . ?
O1 C13 1.251(5) . ?
O1 Cu2 1.954(3) 4_566 ?
O2 C19 1.269(5) . ?
O11 C32 0.87(2) . ?
O12 C35 1.227(8) . ?
N1 C1 1.350(6) . ?
N1 C5 1.364(5) . ?
N2 C6 1.288(6) . ?
N2 N3 1.375(4) . ?
N2 Cu2 2.478(4) 4_566 ?
N3 C13 1.339(6) . ?
N4 C14 1.324(5) . ?
N4 C18 1.340(5) . ?
N5 C19 1.334(5) . ?
N5 N6 1.384(5) . ?
N6 C20 1.285(6) . ?
N7 C31 1.330(6) . ?
N7 C27 1.362(5) . ?
N8 C32 1.27(2) . ?
N8 C33 1.36(2) . ?
N8 C34 1.40(3) . ?
N9 N10 1.09(2) . ?
N9 C35 1.212(16) . ?
N9 C36 1.48(3) . ?
N9 C38 1.51(3) . ?
N9 C39 1.60(3) . ?
N10 C37 1.24(3) . ?
N10 C36 1.28(3) . ?
N10 C39 1.40(3) . ?
N10 C35 1.63(2) . ?
C1 C2 1.372(7) . ?
C2 C3 1.376(7) . ?
C3 C4 1.381(7) . ?
C4 C5 1.389(6) . ?
C5 C6 1.497(6) . ?
C6 C7 1.505(6) . ?
C7 C8 1.388(7) . ?
C7 C12 1.394(7) . ?
C8 C9 1.401(6) . ?
C9 C10 1.372(9) . ?
C10 C11 1.375(9) . ?
C11 C12 1.388(7) . ?
C13 C14 1.504(6) . ?
C14 C15 1.368(6) . ?
C15 C16 1.396(6) . ?
C16 C17 1.397(7) . ?
C17 C18 1.369(6) . ?
C18 C19 1.492(6) . ?
C20 C21 1.477(6) . ?
C20 C27 1.479(6) . ?
C21 C22 1.399(6) . ?
C21 C26 1.402(6) . ?
C22 C23 1.389(6) . ?
C23 C24 1.375(8) . ?
C24 C25 1.376(8) . ?
C25 C26 1.396(6) . ?
C27 C28 1.379(7) . ?
C28 C29 1.387(7) . ?
C29 C30 1.373(8) . ?
C30 C31 1.403(8) . ?
C36 C37 1.41(4) . ?
C36 C39 1.99(4) . ?
C38 C39 1.58(3) . ?
