#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:22:51 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180426 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/95/7209568.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_7209568
loop_
_publ_author_name
'Chen, Yanmei'
'Li, Lei'
'Cao, Yanyuan'
'Wu, Jian'
'Gao, Qian'
'Li, Yahong'
'Hu, Hailiang'
'Liu, Wei'
'Liu, Yonglu'
'Kang, Zhenhui'
'Li, Jingping'
_publ_section_title
;
 CuII-mediated controllable creation of tertiary and quaternary carbon
 centers: designed assembly and structures of a new class of copper
 complexes supported by in situ generated substituted
 1-pyridineimidazo[1,5-a]pyridine ligands
;
_journal_issue                   14
_journal_name_full               CrystEngComm
_journal_page_first              2675
_journal_paper_doi               10.1039/c3ce00012e
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C49 H32 Cl2 Cu2 N12, Cl4 Cu2, 2(C2 H6 O)'
_chemical_formula_sum            'C53 H44 Cl6 Cu4 N12 O2'
_chemical_formula_weight         1347.86
_chemical_name_systematic
;
?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 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                 105.875(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.4628(18)
_cell_length_b                   10.8337(15)
_cell_length_c                   20.597(3)
_cell_measurement_reflns_used    4291
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.275
_cell_measurement_theta_min      2.531
_cell_volume                     2674.9(7)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX-II (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω 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  0.0704
_diffrn_reflns_av_sigmaI/netI    0.0852
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            18969
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    1.923
_exptl_absorpt_correction_T_max  0.7114
_exptl_absorpt_correction_T_min  0.6660
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.673
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platy
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.944
_refine_diff_density_min         -1.008
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     386
_refine_ls_number_reflns         5028
_refine_ls_number_restraints     95
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.1474
_refine_ls_R_factor_gt           0.1288
_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)+(0.0000P)²+36.5375P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2922
_refine_ls_wR_factor_ref         0.3017
_reflns_number_gt                3927
_reflns_number_total             5028
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce00012e.txt
_cod_data_source_block           1(ccdc888199)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               7209568
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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 0.27914(11) 0.16641(13) 0.09278(6) 0.0545(4) Uani 1 1 d . . .
Cl1 Cl 0.3426(3) 0.3204(3) 0.01974(15) 0.0834(11) Uani 1 1 d . . .
N2 N 0.3099(7) 0.2542(8) 0.1785(4) 0.048(2) Uani 1 1 d . . .
N1 N 0.1334(9) 0.2593(11) 0.0780(5) 0.071(3) Uani 1 1 d . . .
C1 C 0.1315(10) 0.3384(11) 0.1291(6) 0.065(3) Uani 1 1 d . . .
C2 C 0.0405(10) 0.4158(16) 0.1214(7) 0.087(5) Uani 1 1 d . . .
H2 H 0.0393 0.4707 0.1558 0.104 Uiso 1 1 calc R . .
C3 C -0.0460(15) 0.4142(18) 0.0656(10) 0.104(5) Uani 1 1 d . . .
H3 H -0.1059 0.4675 0.0621 0.125 Uiso 1 1 calc R . .
C4 C -0.0465(15) 0.338(2) 0.0160(9) 0.117(7) Uani 1 1 d . . .
H4 H -0.1066 0.3346 -0.0225 0.140 Uiso 1 1 calc R . .
C5 C 0.0456(14) 0.2614(16) 0.0230(8) 0.103(6) Uani 1 1 d . . .
H5 H 0.0465 0.2087 -0.0125 0.124 Uiso 1 1 calc R . .
N5 N 0.4179(8) 0.0773(8) 0.1344(4) 0.050(2) Uani 1 1 d . . .
C6 C 0.2315(9) 0.3291(10) 0.1851(5) 0.054(3) Uani 1 1 d . . .
N3 N 0.2616(8) 0.3829(8) 0.2473(5) 0.055(2) Uani 1 1 d . . .
C7 C 0.2090(13) 0.4666(13) 0.2794(8) 0.085(4) Uani 1 1 d . . .
H7 H 0.1383 0.4963 0.2575 0.102 Uiso 1 1 calc R . .
C8 C 0.2593(13) 0.5037(13) 0.3409(8) 0.085(5) Uani 1 1 d . . .
H8 H 0.2237 0.5597 0.3623 0.102 Uiso 1 1 calc R . .
C9 C 0.3664(15) 0.4600(13) 0.3751(8) 0.091(5) Uani 1 1 d . . .
H9 H 0.4008 0.4891 0.4183 0.109 Uiso 1 1 calc R . .
C10 C 0.4211(11) 0.3755(12) 0.3459(6) 0.068(3) Uani 1 1 d . . .
H10 H 0.4906 0.3443 0.3690 0.081 Uiso 1 1 calc R . .
C11 C 0.3682(9) 0.3388(9) 0.2807(6) 0.052(2) Uani 1 1 d . . .
C12 C 0.3972(8) 0.2559(8) 0.2355(5) 0.040(2) Uani 1 1 d . . .
C13 C 0.5000 0.1743(11) 0.2500 0.039(3) Uani 1 2 d S . .
N4 N 0.2655(8) 0.0275(10) 0.0225(5) 0.070(3) Uani 1 1 d . . .
C14 C 0.3604(11) -0.0428(10) 0.0331(6) 0.060(3) Uani 1 1 d . . .
C15 C 0.3680(15) -0.1352(13) -0.0118(7) 0.089(5) Uani 1 1 d . . .
H15 H 0.4331 -0.1812 -0.0052 0.107 Uiso 1 1 calc R . .
C16 C 0.2793(19) -0.1580(19) -0.0656(9) 0.121(7) Uani 1 1 d . . .
H16 H 0.2832 -0.2195 -0.0963 0.145 Uiso 1 1 calc R . .
C17 C 0.1848(18) -0.090(2) -0.0742(10) 0.132(8) Uani 1 1 d . . .
H17 H 0.1227 -0.1087 -0.1097 0.158 Uiso 1 1 calc R . .
C18 C 0.1798(12) 0.0038(19) -0.0314(9) 0.113(7) Uani 1 1 d . . .
H18 H 0.1160 0.0524 -0.0397 0.135 Uiso 1 1 calc R . .
C19 C 0.4441(10) -0.0082(10) 0.0950(5) 0.055(3) Uani 1 1 d . . .
N6 N 0.5489(9) -0.0515(8) 0.1256(4) 0.060(3) Uani 1 1 d . . .
C20 C 0.6127(13) -0.1379(12) 0.1044(6) 0.077(4) Uani 1 1 d . . .
H20 H 0.5846 -0.1807 0.0642 0.093 Uiso 1 1 calc R . .
C21 C 0.7144(18) -0.1586(17) 0.1425(8) 0.130(9) Uani 1 1 d . . .
H21 H 0.7596 -0.2145 0.1280 0.156 Uiso 1 1 calc R . .
C22 C 0.7566(18) -0.0976(19) 0.2050(8) 0.139(9) Uani 1 1 d . . .
H22 H 0.8287 -0.1133 0.2315 0.167 Uiso 1 1 calc R . .
C23 C 0.6908(16) -0.0165(16) 0.2257(6) 0.113(7) Uani 1 1 d . . .
H23 H 0.7178 0.0234 0.2669 0.136 Uiso 1 1 calc R . .
C24 C 0.5825(11) 0.0086(10) 0.1859(5) 0.060(3) Uani 1 1 d . . .
C25 C 0.5017(9) 0.0917(8) 0.1909(4) 0.045(2) Uani 1 1 d . . .
O1 O 0.324(4) 0.603(3) 0.067(2) 0.220(15) Uani 0.59(3) 1 d PDU A 1
H1 H 0.3591 0.5481 0.0546 0.330 Uiso 0.59(3) 1 calc PR A 1
C26 C 0.368(4) 0.624(4) 0.134(2) 0.182(15) Uani 0.59(3) 1 d PDU A 1
H26C H 0.4469 0.6400 0.1399 0.218 Uiso 0.59(3) 1 calc PR A 1
H26D H 0.3638 0.5459 0.1562 0.218 Uiso 0.59(3) 1 calc PR A 1
C27 C 0.327(4) 0.721(3) 0.173(2) 0.188(15) Uani 0.59(3) 1 d PDU A 1
H27D H 0.3897 0.7602 0.2035 0.283 Uiso 0.59(3) 1 calc PR A 1
H27E H 0.2808 0.6835 0.1975 0.283 Uiso 0.59(3) 1 calc PR A 1
H27F H 0.2848 0.7812 0.1421 0.283 Uiso 0.59(3) 1 calc PR A 1
O1B O 0.283(5) 0.543(3) 0.099(3) 0.202(15) Uani 0.41(3) 1 d PDU A 2
H1B H 0.3254 0.5375 0.0756 0.303 Uiso 0.41(3) 1 calc PR A 2
C26B C 0.299(6) 0.652(4) 0.132(4) 0.203(17) Uani 0.41(3) 1 d PDU A 2
H26A H 0.2329 0.6664 0.1478 0.243 Uiso 0.41(3) 1 calc PR A 2
H26B H 0.2977 0.7148 0.0983 0.243 Uiso 0.41(3) 1 calc PR A 2
C27B C 0.397(5) 0.680(5) 0.191(3) 0.179(16) Uani 0.41(3) 1 d PDU A 2
H27A H 0.4620 0.6920 0.1747 0.269 Uiso 0.41(3) 1 calc PR A 2
H27B H 0.4097 0.6128 0.2220 0.269 Uiso 0.41(3) 1 calc PR A 2
H27C H 0.3830 0.7541 0.2127 0.269 Uiso 0.41(3) 1 calc PR A 2
Cu2 Cu 0.0490(3) 1.0839(4) 0.19544(17) 0.0812(10) Uani 0.50 1 d P . .
Cu3 Cu 0.0507(3) 0.8021(4) 0.1691(2) 0.0988(13) Uani 0.50 1 d P . .
Cl2 Cl 0.1014(5) 0.9506(6) 0.1208(3) 0.148(2) Uani 1 1 d . . .
Cl3 Cl 0.0000 1.2117(6) 0.2500 0.1097(19) Uani 1 2 d S . .
Cl4 Cl 0.0000 0.6883(7) 0.2500 0.227(7) Uani 1 2 d S . .
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
N2 Cu1 N5 85.0(3) . .
N2 Cu1 N1 80.8(4) . .
N5 Cu1 N1 163.2(4) . .
N2 Cu1 N4 161.7(4) . .
N5 Cu1 N4 80.9(4) . .
N1 Cu1 N4 111.0(4) . .
N2 Cu1 Cl1 101.7(3) . .
N5 Cu1 Cl1 101.8(3) . .
N1 Cu1 Cl1 89.8(3) . .
N4 Cu1 Cl1 92.5(3) . .
C6 N2 C12 110.2(8) . .
C6 N2 Cu1 115.5(7) . .
C12 N2 Cu1 134.3(7) . .
C5 N1 C1 117.3(13) . .
C5 N1 Cu1 128.7(11) . .
C1 N1 Cu1 113.7(8) . .
N1 C1 C2 118.6(13) . .
N1 C1 C6 112.2(10) . .
C2 C1 C6 129.2(13) . .
C3 C2 C1 122.1(16) . .
C3 C2 H2 118.9 . .
C1 C2 H2 118.9 . .
C4 C3 C2 120.3(16) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 117.8(16) . .
C3 C4 H4 121.1 . .
C5 C4 H4 121.1 . .
N1 C5 C4 123.9(17) . .
N1 C5 H5 118.1 . .
C4 C5 H5 118.1 . .
C19 N5 C25 110.3(9) . .
C19 N5 Cu1 114.2(8) . .
C25 N5 Cu1 134.9(7) . .
N2 C6 N3 110.0(9) . .
N2 C6 C1 117.6(10) . .
N3 C6 C1 132.3(10) . .
C6 N3 C7 133.0(11) . .
C6 N3 C11 107.2(8) . .
C7 N3 C11 119.8(10) . .
C8 C7 N3 119.8(14) . .
C8 C7 H7 120.1 . .
N3 C7 H7 120.1 . .
C7 C8 C9 121.1(12) . .
C7 C8 H8 119.5 . .
C9 C8 H8 119.5 . .
C10 C9 C8 121.4(14) . .
C10 C9 H9 119.3 . .
C8 C9 H9 119.3 . .
C9 C10 C11 117.0(13) . .
C9 C10 H10 121.5 . .
C11 C10 H10 121.5 . .
C10 C11 N3 121.0(9) . .
C10 C11 C12 133.1(11) . .
N3 C11 C12 105.9(9) . .
N2 C12 C11 106.7(9) . .
N2 C12 C13 126.3(8) . .
C11 C12 C13 126.7(8) . .
C25 C13 C25 107.6(10) 2_655 .
C25 C13 C12 112.5(5) 2_655 2_655
C25 C13 C12 107.8(5) . 2_655
C25 C13 C12 107.8(5) 2_655 .
C25 C13 C12 112.5(5) . .
C12 C13 C12 108.8(10) 2_655 .
C18 N4 C14 118.8(11) . .
C18 N4 Cu1 128.1(11) . .
C14 N4 Cu1 113.1(7) . .
N4 C14 C15 120.6(12) . .
N4 C14 C19 112.0(9) . .
C15 C14 C19 127.4(14) . .
C16 C15 C14 119.2(17) . .
C16 C15 H15 120.4 . .
C14 C15 H15 120.4 . .
C17 C16 C15 119.5(15) . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
C16 C17 C18 120.8(17) . .
C16 C17 H17 119.6 . .
C18 C17 H17 119.6 . .
N4 C18 C17 121.0(18) . .
N4 C18 H18 119.5 . .
C17 C18 H18 119.5 . .
N5 C19 N6 108.7(9) . .
N5 C19 C14 118.5(11) . .
N6 C19 C14 132.7(10) . .
C24 N6 C19 105.8(8) . .
C24 N6 C20 123.7(11) . .
C19 N6 C20 130.5(10) . .
C21 C20 N6 118.3(12) . .
C21 C20 H20 120.9 . .
N6 C20 H20 120.8 . .
C20 C21 C22 121.4(13) . .
C20 C21 H21 119.3 . .
C22 C21 H21 119.3 . .
C23 C22 C21 119.0(16) . .
C23 C22 H22 120.5 . .
C21 C22 H22 120.5 . .
C22 C23 C24 121.0(14) . .
C22 C23 H23 119.5 . .
C24 C23 H23 119.5 . .
N6 C24 C25 109.4(10) . .
N6 C24 C23 116.5(10) . .
C25 C24 C23 133.8(11) . .
N5 C25 C24 105.8(9) . .
N5 C25 C13 125.9(8) . .
C24 C25 C13 128.1(9) . .
C26 O1 H1 109.5 . .
O1 C26 C27 124(3) . .
O1 C26 H26C 106.4 . .
C27 C26 H26C 106.4 . .
O1 C26 H26D 106.4 . .
C27 C26 H26D 106.4 . .
H26C C26 H26D 106.4 . .
C26 C27 H27D 109.5 . .
C26 C27 H27E 109.5 . .
H27D C27 H27E 109.5 . .
C26 C27 H27F 109.5 . .
H27D C27 H27F 109.5 . .
H27E C27 H27F 109.5 . .
C26B O1B H1B 109.5 . .
O1B C26B C27B 124(3) . .
O1B C26B H26A 106.4 . .
C27B C26B H26A 106.4 . .
O1B C26B H26B 106.4 . .
C27B C26B H26B 106.4 . .
H26A C26B H26B 106.4 . .
C26B C27B H27A 109.5 . .
C26B C27B H27B 109.5 . .
H27A C27B H27B 109.5 . .
C26B C27B H27C 109.5 . .
H27A C27B H27C 109.5 . .
H27B C27B H27C 109.5 . .
Cl3 Cu2 Cl2 173.2(3) . .
Cl3 Cu2 Cu2 44.32(18) . 2
Cl2 Cu2 Cu2 141.48(17) . 2
Cl2 Cu3 Cl4 160.6(3) . .
Cu3 Cl2 Cu2 89.2(3) . .
Cu2 Cl3 Cu2 91.4(4) . 2
Cu3 Cl4 Cu3 115.0(4) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N2 1.949(8) .
Cu1 N5 1.962(9) .
Cu1 N1 2.025(11) .
Cu1 N4 2.062(9) .
Cu1 Cl1 2.515(3) .
N2 C6 1.306(13) .
N2 C12 1.366(12) .
N1 C5 1.344(16) .
N1 C1 1.362(16) .
C1 C2 1.384(17) .
C1 C6 1.452(16) .
C2 C3 1.34(2) .
C2 H2 0.9300 .
C3 C4 1.31(2) .
C3 H3 0.9300 .
C4 C5 1.39(2) .
C4 H4 0.9300 .
C5 H5 0.9300 .
N5 C19 1.329(12) .
N5 C25 1.343(13) .
C6 N3 1.363(13) .
N3 C7 1.389(14) .
N3 C11 1.402(14) .
C7 C8 1.31(2) .
C7 H7 0.9300 .
C8 C9 1.41(2) .
C8 H8 0.9300 .
C9 C10 1.375(17) .
C9 H9 0.9300 .
C10 C11 1.383(16) .
C10 H10 0.9300 .
C11 C12 1.409(13) .
C12 C13 1.518(12) .
C13 C25 1.516(11) 2_655
C13 C25 1.516(11) .
C13 C12 1.518(12) 2_655
N4 C18 1.338(16) .
N4 C14 1.374(16) .
C14 C15 1.383(15) .
C14 C19 1.459(16) .
C15 C16 1.36(2) .
C15 H15 0.9300 .
C16 C17 1.36(3) .
C16 H16 0.9300 .
C17 C18 1.36(2) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 N6 1.369(15) .
N6 C24 1.364(14) .
N6 C20 1.374(14) .
C20 C21 1.31(2) .
C20 H20 0.9300 .
C21 C22 1.41(2) .
C21 H21 0.9300 .
C22 C23 1.347(18) .
C22 H22 0.9300 .
C23 C24 1.401(19) .
C23 H23 0.9300 .
C24 C25 1.375(14) .
O1 C26 1.350(10) .
O1 H1 0.8200 .
C26 C27 1.497(10) .
C26 H26C 0.9700 .
C26 H26D 0.9700 .
C27 H27D 0.9600 .
C27 H27E 0.9600 .
C27 H27F 0.9600 .
O1B C26B 1.349(10) .
O1B H1B 0.8200 .
C26B C27B 1.498(10) .
C26B H26A 0.9700 .
C26B H26B 0.9700 .
C27B H27A 0.9600 .
C27B H27B 0.9600 .
C27B H27C 0.9600 .
Cu2 Cl3 1.983(6) .
Cu2 Cl2 2.329(8) .
Cu2 Cu2 2.837(7) 2
Cu3 Cl2 2.079(7) .
Cu3 Cl4 2.296(6) .
Cl3 Cu2 1.983(6) 2
Cl4 Cu3 2.296(6) 2
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C4 H4 O1 0.93 2.70 3.47(4) 141.2 3_565
O1 H1 Cl1 0.82 2.56 3.24(3) 141.0 .
O1B H1B Cl1 0.82 2.65 3.12(4) 117.9 .
C4 H4 O1B 0.93 2.68 3.48(6) 145.5 3_565
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N5 Cu1 N2 C6 -173.5(8) . .
N1 Cu1 N2 C6 -2.4(8) . .
N4 Cu1 N2 C6 -134.3(12) . .
Cl1 Cu1 N2 C6 85.4(7) . .
N5 Cu1 N2 C12 6.3(9) . .
N1 Cu1 N2 C12 177.4(10) . .
N4 Cu1 N2 C12 45.6(17) . .
Cl1 Cu1 N2 C12 -94.7(9) . .
N2 Cu1 N1 C5 177.3(14) . .
N5 Cu1 N1 C5 -150.5(14) . .
N4 Cu1 N1 C5 -17.2(15) . .
Cl1 Cu1 N1 C5 75.4(13) . .
N2 Cu1 N1 C1 4.3(8) . .
N5 Cu1 N1 C1 37(2) . .
N4 Cu1 N1 C1 169.8(8) . .
Cl1 Cu1 N1 C1 -97.6(8) . .
C5 N1 C1 C2 -0.3(19) . .
Cu1 N1 C1 C2 173.6(10) . .
C5 N1 C1 C6 -179.0(12) . .
Cu1 N1 C1 C6 -5.2(13) . .
N1 C1 C2 C3 1(2) . .
C6 C1 C2 C3 179.3(14) . .
C1 C2 C3 C4 0(3) . .
C2 C3 C4 C5 -1(3) . .
C1 N1 C5 C4 -1(3) . .
Cu1 N1 C5 C4 -173.8(15) . .
C3 C4 C5 N1 2(3) . .
N2 Cu1 N5 C19 179.2(8) . .
N1 Cu1 N5 C19 147.3(13) . .
N4 Cu1 N5 C19 10.8(7) . .
Cl1 Cu1 N5 C19 -79.9(7) . .
N2 Cu1 N5 C25 -10.9(10) . .
N1 Cu1 N5 C25 -43(2) . .
N4 Cu1 N5 C25 -179.4(10) . .
Cl1 Cu1 N5 C25 90.0(9) . .
C12 N2 C6 N3 -1.0(12) . .
Cu1 N2 C6 N3 178.9(7) . .
C12 N2 C6 C1 -179.6(9) . .
Cu1 N2 C6 C1 0.3(13) . .
N1 C1 C6 N2 3.4(15) . .
C2 C1 C6 N2 -175.2(13) . .
N1 C1 C6 N3 -174.9(11) . .
C2 C1 C6 N3 7(2) . .
N2 C6 N3 C7 -179.1(12) . .
C1 C6 N3 C7 -1(2) . .
N2 C6 N3 C11 1.2(12) . .
C1 C6 N3 C11 179.6(12) . .
C6 N3 C7 C8 -179.8(13) . .
C11 N3 C7 C8 0(2) . .
N3 C7 C8 C9 0(2) . .
C7 C8 C9 C10 -1(2) . .
C8 C9 C10 C11 2(2) . .
C9 C10 C11 N3 -2.4(17) . .
C9 C10 C11 C12 -179.8(12) . .
C6 N3 C11 C10 -178.9(10) . .
C7 N3 C11 C10 1.3(16) . .
C6 N3 C11 C12 -1.0(11) . .
C7 N3 C11 C12 179.3(10) . .
C6 N2 C12 C11 0.4(11) . .
Cu1 N2 C12 C11 -179.5(7) . .
C6 N2 C12 C13 174.7(9) . .
Cu1 N2 C12 C13 -5.1(15) . .
C10 C11 C12 N2 178.0(12) . .
N3 C11 C12 N2 0.4(11) . .
C10 C11 C12 C13 3.7(19) . .
N3 C11 C12 C13 -173.9(9) . .
N2 C12 C13 C25 -114.6(9) . 2_655
C11 C12 C13 C25 58.6(12) . 2_655
N2 C12 C13 C25 3.9(13) . .
C11 C12 C13 C25 177.1(9) . .
N2 C12 C13 C12 123.2(10) . 2_655
C11 C12 C13 C12 -63.6(9) . 2_655
N2 Cu1 N4 C18 135.1(16) . .
N5 Cu1 N4 C18 174.8(15) . .
N1 Cu1 N4 C18 7.1(15) . .
Cl1 Cu1 N4 C18 -83.7(14) . .
N2 Cu1 N4 C14 -48.3(16) . .
N5 Cu1 N4 C14 -8.6(8) . .
N1 Cu1 N4 C14 -176.4(8) . .
Cl1 Cu1 N4 C14 92.9(8) . .
C18 N4 C14 C15 0.9(19) . .
Cu1 N4 C14 C15 -176.0(9) . .
C18 N4 C14 C19 -178.0(13) . .
Cu1 N4 C14 C19 5.1(12) . .
N4 C14 C15 C16 -2(2) . .
C19 C14 C15 C16 177.0(14) . .
C14 C15 C16 C17 0(3) . .
C15 C16 C17 C18 3(3) . .
C14 N4 C18 C17 2(3) . .
Cu1 N4 C18 C17 178.4(14) . .
C16 C17 C18 N4 -4(3) . .
C25 N5 C19 N6 -0.7(12) . .
Cu1 N5 C19 N6 171.7(7) . .
C25 N5 C19 C14 176.1(9) . .
Cu1 N5 C19 C14 -11.5(12) . .
N4 C14 C19 N5 4.0(14) . .
C15 C14 C19 N5 -174.8(11) . .
N4 C14 C19 N6 179.8(11) . .
C15 C14 C19 N6 1(2) . .
N5 C19 N6 C24 2.1(12) . .
C14 C19 N6 C24 -174.0(11) . .
N5 C19 N6 C20 -178.8(12) . .
C14 C19 N6 C20 5(2) . .
C24 N6 C20 C21 -4(2) . .
C19 N6 C20 C21 176.7(15) . .
N6 C20 C21 C22 2(3) . .
C20 C21 C22 C23 0(3) . .
C21 C22 C23 C24 -1(3) . .
C19 N6 C24 C25 -2.8(13) . .
C20 N6 C24 C25 178.0(11) . .
C19 N6 C24 C23 -177.2(13) . .
C20 N6 C24 C23 3.6(19) . .
C22 C23 C24 N6 -1(3) . .
C22 C23 C24 C25 -173.8(17) . .
C19 N5 C25 C24 -1.1(12) . .
Cu1 N5 C25 C24 -171.2(8) . .
C19 N5 C25 C13 -175.7(9) . .
Cu1 N5 C25 C13 14.2(15) . .
N6 C24 C25 N5 2.4(12) . .
C23 C24 C25 N5 175.5(16) . .
N6 C24 C25 C13 176.9(9) . .
C23 C24 C25 C13 -10(2) . .
C25 C13 C25 N5 110.6(11) 2_655 .
C12 C13 C25 N5 -127.9(9) 2_655 .
C12 C13 C25 N5 -8.0(13) . .
C25 C13 C25 C24 -62.8(10) 2_655 .
C12 C13 C25 C24 58.7(13) 2_655 .
C12 C13 C25 C24 178.6(10) . .
Cl4 Cu3 Cl2 Cu2 -18.1(9) . .
Cl3 Cu2 Cl2 Cu3 -148.1(19) . .
Cu2 Cu2 Cl2 Cu3 -2.4(4) 2 .
Cl2 Cu2 Cl3 Cu2 150(2) . 2
Cl2 Cu3 Cl4 Cu3 17.7(8) . 2
