#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:14:08 +0100 (Fri 25 de Mar de 2016) $
#$Revision: 179915 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/10/7021025.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_7021025
loop_
_publ_author_name
'Maekawa, Masahiko'
'Miyazaki, Takeshi'
'Sugimoto, Kunihisa'
'Okubo, Takashi'
'Kuroda-Sowa, Takayoshi'
'Munakata, Megumu'
'Kitagawa, Susumu'
_publ_section_title
;
 Structural diversity among copper(i) ethylene adducts of
 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4258
_journal_page_last               4266
_journal_paper_doi               10.1039/c2dt32649c
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C54 H48 Cl4 Cu4 N24 O18'
_chemical_formula_sum            'C54 H48 Cl4 Cu4 N24 O18'
_chemical_formula_weight         1717.12
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_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                 122.153(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.759(7)
_cell_length_b                   17.873(5)
_cell_length_c                   19.267(6)
_cell_measurement_reflns_used    8410
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     6635(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'Mercury CSD 3.0'
_computing_publication_material  'WinGX 1.8'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_sigmaI/netI    0.0378
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            25761
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    1.515
_exptl_absorpt_correction_T_max  0.8632
_exptl_absorpt_correction_T_min  0.6592
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.719
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3472
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.774
_refine_diff_density_min         -1.174
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         7575
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0801
_refine_ls_R_factor_gt           0.0625
_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)+(0.0548P)²+50.4629P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1357
_refine_ls_wR_factor_ref         0.1436
_reflns_number_gt                6374
_reflns_number_total             7575
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2dt32649c.txt
_cod_data_source_block           '[Cu4(4,5-H2bptz)4](ClO4)4.2Me2CO'
_cod_database_code               7021025
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
C1 C -0.0520(2) 0.8913(2) 0.3022(3) 0.0268(10) Uani 1 1 d . . .
H1 H -0.0049 0.9012 0.3432 0.032 Uiso 1 1 calc R . .
C2 C -0.1025(2) 0.9413(2) 0.2921(3) 0.0301(10) Uani 1 1 d . . .
H2 H -0.0903 0.9836 0.3269 0.036 Uiso 1 1 calc R . .
C3 C -0.1703(2) 0.9288(2) 0.2313(3) 0.0288(10) Uani 1 1 d . . .
H3 H -0.2055 0.9631 0.2226 0.035 Uiso 1 1 calc R . .
C4 C -0.1870(2) 0.8656(2) 0.1826(3) 0.0231(9) Uani 1 1 d . . .
H4 H -0.2336 0.8559 0.1400 0.028 Uiso 1 1 calc R . .
C5 C -0.1342(2) 0.8167(2) 0.1975(2) 0.0184(8) Uani 1 1 d . . .
C6 C -0.14603(19) 0.7465(2) 0.1511(2) 0.0162(8) Uani 1 1 d . . .
C7 C -0.15382(19) 0.6174(2) 0.0727(2) 0.0137(7) Uani 1 1 d . . .
C8 C -0.15030(19) 0.5475(2) 0.0342(2) 0.0144(7) Uani 1 1 d . . .
C9 C -0.2086(2) 0.5046(2) -0.0173(2) 0.0186(8) Uani 1 1 d . . .
H9 H -0.2533 0.5201 -0.0306 0.022 Uiso 1 1 calc R . .
C10 C -0.1998(2) 0.4386(2) -0.0488(3) 0.0233(9) Uani 1 1 d . . .
H10 H -0.2387 0.4083 -0.0848 0.028 Uiso 1 1 calc R . .
C11 C -0.1344(2) 0.4177(2) -0.0274(3) 0.0228(9) Uani 1 1 d . . .
H11 H -0.1272 0.3721 -0.0471 0.027 Uiso 1 1 calc R . .
C12 C -0.0787(2) 0.4635(2) 0.0233(3) 0.0205(8) Uani 1 1 d . . .
H12 H -0.0337 0.4489 0.0370 0.025 Uiso 1 1 calc R . .
C13 C 0.0401(2) 0.7280(2) 0.0800(3) 0.0270(9) Uani 1 1 d . . .
H13 H -0.0071 0.7380 0.0394 0.032 Uiso 1 1 calc R . .
C14 C 0.0907(3) 0.7782(3) 0.0901(3) 0.0324(11) Uani 1 1 d . . .
H14 H 0.0785 0.8214 0.0564 0.039 Uiso 1 1 calc R . .
C15 C 0.1591(3) 0.7641(3) 0.1500(3) 0.0333(11) Uani 1 1 d . . .
H15 H 0.1943 0.7985 0.1590 0.040 Uiso 1 1 calc R . .
C16 C 0.1763(2) 0.7000(3) 0.1967(3) 0.0273(10) Uani 1 1 d . . .
H16 H 0.2233 0.6889 0.2373 0.033 Uiso 1 1 calc R . .
C17 C 0.1228(2) 0.6516(2) 0.1827(3) 0.0211(9) Uani 1 1 d . . .
C18 C 0.1352(2) 0.5813(2) 0.2289(3) 0.0184(8) Uani 1 1 d . . .
C19 C 0.1415(2) 0.4511(2) 0.3042(2) 0.0197(8) Uani 1 1 d . . .
C20 C 0.1371(2) 0.3798(2) 0.3405(2) 0.0229(9) Uani 1 1 d . . .
C21 C 0.1908(3) 0.3286(3) 0.3788(3) 0.0354(12) Uani 1 1 d . . .
H21 H 0.2346 0.3389 0.3860 0.042 Uiso 1 1 calc R . .
C22 C 0.1793(3) 0.2620(3) 0.4065(3) 0.0432(14) Uani 1 1 d . . .
H22 H 0.2148 0.2251 0.4305 0.052 Uiso 1 1 calc R . .
C23 C 0.1170(3) 0.2493(3) 0.3992(3) 0.0415(14) Uani 1 1 d . . .
H23 H 0.1089 0.2044 0.4192 0.050 Uiso 1 1 calc R . .
C24 C 0.0661(3) 0.3036(2) 0.3621(3) 0.0300(10) Uani 1 1 d . . .
H24 H 0.0230 0.2954 0.3577 0.036 Uiso 1 1 calc R . .
C25 C 0.0695(3) 0.1405(5) 0.2270(4) 0.067(2) Uani 1 1 d . . .
H25A H 0.0888 0.1164 0.2805 0.101 Uiso 1 1 calc R . .
H25B H 0.0250 0.1172 0.1873 0.101 Uiso 1 1 calc R . .
H25C H 0.0625 0.1939 0.2318 0.101 Uiso 1 1 calc R . .
C26 C 0.1185(2) 0.1314(2) 0.1988(3) 0.0314(11) Uani 1 1 d . . .
C27 C 0.0903(4) 0.1409(3) 0.1100(4) 0.0564(17) Uani 1 1 d . . .
H27A H 0.1283 0.1385 0.1002 0.085 Uiso 1 1 calc R . .
H27B H 0.0671 0.1896 0.0919 0.085 Uiso 1 1 calc R . .
H27C H 0.0568 0.1010 0.0793 0.085 Uiso 1 1 calc R . .
N1 N -0.06693(17) 0.82978(19) 0.2564(2) 0.0192(7) Uani 1 1 d . . .
N2 N -0.08814(16) 0.71272(17) 0.16456(19) 0.0139(6) Uani 1 1 d . . .
N3 N -0.2122(2) 0.7148(2) 0.0992(3) 0.0318(9) Uani 1 1 d . . .
H3A H -0.2497 0.7350 0.0938 0.038 Uiso 0.50 1 calc PR . .
N4 N -0.2159(2) 0.6501(2) 0.0569(3) 0.0343(9) Uani 1 1 d . . .
H3B H -0.2563 0.6301 0.0210 0.041 Uiso 0.50 1 calc PR . .
N5 N -0.09209(16) 0.64794(17) 0.12641(19) 0.0140(6) Uani 1 1 d . . .
N6 N -0.08580(16) 0.52770(18) 0.0538(2) 0.0155(6) Uani 1 1 d . . .
N7 N 0.05559(18) 0.66605(19) 0.1257(2) 0.0201(7) Uani 1 1 d . . .
N8 N 0.07725(16) 0.55078(19) 0.2188(2) 0.0164(7) Uani 1 1 d . . .
N9 N 0.2010(2) 0.5481(3) 0.2795(3) 0.0418(11) Uani 1 1 d . . .
H9A H 0.2387 0.5686 0.2856 0.050 Uiso 0.50 1 calc PR . .
N10 N 0.2044(2) 0.4818(3) 0.3197(3) 0.0397(11) Uani 1 1 d . . .
H9B H 0.2443 0.4599 0.3535 0.048 Uiso 0.50 1 calc PR . .
N11 N 0.08053(16) 0.48497(19) 0.2553(2) 0.0167(7) Uani 1 1 d . . .
N12 N 0.07500(19) 0.36724(19) 0.3319(2) 0.0226(8) Uani 1 1 d . . .
O1 O 0.13842(16) 0.68670(17) 0.56518(19) 0.0263(7) Uani 1 1 d . . .
O2 O 0.06061(19) 0.6617(2) 0.6068(3) 0.0498(11) Uani 1 1 d . . .
O3 O 0.1764(2) 0.6900(2) 0.7046(2) 0.0469(10) Uani 1 1 d . . .
O4 O 0.1483(2) 0.5756(2) 0.6356(2) 0.0459(10) Uani 1 1 d . . .
O9 O 0.17877(17) 0.11566(19) 0.2466(3) 0.0405(9) Uani 1 1 d . . .
Cu1 Cu 0.0000 0.75999(4) 0.2500 0.01664(16) Uani 1 2 d S . .
Cu2 Cu -0.01121(2) 0.59780(3) 0.13302(3) 0.01664(13) Uani 1 1 d . . .
Cu3 Cu 0.0000 0.43744(4) 0.2500 0.01838(17) Uani 1 2 d S . .
Cl1 Cl 0.13052(5) 0.65320(6) 0.62821(6) 0.0208(2) Uani 1 1 d . . .
Cl2A Cl 0.1188(3) 0.0275(4) 0.4804(4) 0.0266(4) Uani 0.585(5) 1 d PD A 1
O5A O 0.1285(4) 0.0418(4) 0.5581(4) 0.0656(11) Uani 0.585(5) 1 d PD A 1
O6A O 0.1418(4) -0.0454(4) 0.4788(5) 0.0656(11) Uani 0.585(5) 1 d PD A 1
O7A O 0.0488(3) 0.0363(4) 0.4195(5) 0.0656(11) Uani 0.585(5) 1 d PD A 1
O8A O 0.1607(3) 0.0799(4) 0.4712(5) 0.0656(11) Uani 0.585(5) 1 d PD A 1
Cl2B Cl 0.1158(5) 0.0252(5) 0.4730(6) 0.0266(4) Uani 0.415(5) 1 d PD A 2
O5B O 0.1452(5) 0.0854(5) 0.5292(6) 0.0656(11) Uani 0.415(5) 1 d PD A 2
O6B O 0.1561(5) -0.0396(5) 0.5104(7) 0.0656(11) Uani 0.415(5) 1 d PD A 2
O7B O 0.0467(4) 0.0142(6) 0.4501(7) 0.0656(11) Uani 0.415(5) 1 d PD A 2
O8B O 0.1185(5) 0.0442(6) 0.4040(5) 0.0656(11) Uani 0.415(5) 1 d PD A 2
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 C1 C2 122.5(4) . .
N1 C1 H1 118.7 . .
C2 C1 H1 118.7 . .
C3 C2 C1 119.2(4) . .
C3 C2 H2 120.4 . .
C1 C2 H2 120.4 . .
C2 C3 C4 119.3(4) . .
C2 C3 H3 120.4 . .
C4 C3 H3 120.4 . .
C3 C4 C5 118.6(4) . .
C3 C4 H4 120.7 . .
C5 C4 H4 120.7 . .
N1 C5 C4 122.2(4) . .
N1 C5 C6 114.4(3) . .
C4 C5 C6 123.4(4) . .
N2 C6 N3 121.7(4) . .
N2 C6 C5 114.8(3) . .
N3 C6 C5 123.5(3) . .
N5 C7 N4 121.2(3) . .
N5 C7 C8 114.7(3) . .
N4 C7 C8 124.1(3) . .
N6 C8 C9 122.5(4) . .
N6 C8 C7 114.9(3) . .
C9 C8 C7 122.6(3) . .
C8 C9 C10 118.5(4) . .
C8 C9 H9 120.8 . .
C10 C9 H9 120.8 . .
C11 C10 C9 119.0(4) . .
C11 C10 H10 120.5 . .
C9 C10 H10 120.5 . .
C10 C11 C12 119.5(4) . .
C10 C11 H11 120.3 . .
C12 C11 H11 120.3 . .
N6 C12 C11 122.6(4) . .
N6 C12 H12 118.7 . .
C11 C12 H12 118.7 . .
N7 C13 C14 122.2(5) . .
N7 C13 H13 118.9 . .
C14 C13 H13 118.9 . .
C15 C14 C13 118.8(5) . .
C15 C14 H14 120.6 . .
C13 C14 H14 120.6 . .
C16 C15 C14 119.9(4) . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C15 C16 C17 118.2(4) . .
C15 C16 H16 120.9 . .
C17 C16 H16 120.9 . .
N7 C17 C16 122.2(4) . .
N7 C17 C18 115.0(3) . .
C16 C17 C18 122.9(4) . .
N8 C18 N9 122.0(4) . .
N8 C18 C17 113.6(3) . .
N9 C18 C17 124.4(4) . .
N11 C19 N10 122.0(4) . .
N11 C19 C20 114.5(4) . .
N10 C19 C20 123.4(4) . .
N12 C20 C21 121.6(5) . .
N12 C20 C19 114.5(3) . .
C21 C20 C19 123.9(4) . .
C22 C21 C20 118.8(5) . .
C22 C21 H21 120.6 . .
C20 C21 H21 120.6 . .
C23 C22 C21 120.0(5) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 118.3(5) . .
C22 C23 H23 120.8 . .
C24 C23 H23 120.8 . .
N12 C24 C23 122.8(5) . .
N12 C24 H24 118.6 . .
C23 C24 H24 118.6 . .
C26 C25 H25A 109.5 . .
C26 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C26 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O9 C26 C27 121.6(5) . .
O9 C26 C25 120.9(5) . .
C27 C26 C25 117.5(5) . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C1 N1 C5 118.2(4) . .
C1 N1 Cu1 127.8(3) . .
C5 N1 Cu1 113.2(3) . .
C6 N2 N5 120.4(3) . .
C6 N2 Cu1 115.1(3) . .
N5 N2 Cu1 124.2(2) . .
N4 N3 C6 117.2(4) . .
N4 N3 H3A 121.4 . .
C6 N3 H3A 121.4 . .
N3 N4 C7 118.6(4) . .
N3 N4 H3B 120.7 . .
C7 N4 H3B 120.7 . .
C7 N5 N2 120.6(3) . .
C7 N5 Cu2 114.9(3) . .
N2 N5 Cu2 124.1(2) . .
C12 N6 C8 117.9(3) . .
C12 N6 Cu2 128.2(3) . .
C8 N6 Cu2 113.7(3) . .
C13 N7 C17 118.7(4) . .
C13 N7 Cu2 127.1(3) . .
C17 N7 Cu2 113.5(3) . .
C18 N8 N11 120.0(3) . .
C18 N8 Cu2 115.5(3) . .
N11 N8 Cu2 123.5(2) . .
N10 N9 C18 117.7(4) . .
N10 N9 H9A 121.2 . .
C18 N9 H9A 121.2 . .
N9 N10 C19 117.6(4) . .
N9 N10 H9B 121.2 . .
C19 N10 H9B 121.2 . .
C19 N11 N8 120.6(3) . .
C19 N11 Cu3 115.4(3) . .
N8 N11 Cu3 123.7(2) . .
C24 N12 C20 118.5(4) . .
C24 N12 Cu3 127.1(3) . .
C20 N12 Cu3 112.6(3) . .
N2 Cu1 N2 129.57(18) . 2
N2 Cu1 N1 132.36(13) . 2
N2 Cu1 N1 81.46(13) 2 2
N2 Cu1 N1 81.46(13) . .
N2 Cu1 N1 132.36(13) 2 .
N1 Cu1 N1 103.9(2) 2 .
N8 Cu2 N5 137.46(13) . .
N8 Cu2 N6 116.19(13) . .
N5 Cu2 N6 81.54(13) . .
N8 Cu2 N7 81.15(14) . .
N5 Cu2 N7 115.49(14) . .
N6 Cu2 N7 133.67(14) . .
N11 Cu3 N11 128.97(19) . 2
N11 Cu3 N12 132.91(14) . 2
N11 Cu3 N12 81.50(15) 2 2
N11 Cu3 N12 81.50(15) . .
N11 Cu3 N12 132.91(14) 2 .
N12 Cu3 N12 103.6(2) 2 .
O2 Cl1 O4 110.3(3) . .
O2 Cl1 O3 109.8(3) . .
O4 Cl1 O3 109.3(3) . .
O2 Cl1 O1 109.4(2) . .
O4 Cl1 O1 109.2(2) . .
O3 Cl1 O1 108.9(2) . .
O7A Cl2A O6A 110.9(6) . .
O7A Cl2A O8A 111.3(6) . .
O6A Cl2A O8A 109.1(6) . .
O7A Cl2A O5A 109.5(6) . .
O6A Cl2A O5A 109.8(6) . .
O8A Cl2A O5A 106.1(6) . .
O7B Cl2B O8B 110.0(7) . .
O7B Cl2B O6B 111.0(7) . .
O8B Cl2B O6B 109.7(7) . .
O7B Cl2B O5B 109.9(7) . .
O8B Cl2B O5B 107.5(7) . .
O6B Cl2B O5B 108.6(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.335(5) .
C1 C2 1.386(6) .
C1 H1 0.9500 .
C2 C3 1.372(7) .
C2 H2 0.9500 .
C3 C4 1.386(6) .
C3 H3 0.9500 .
C4 C5 1.387(5) .
C4 H4 0.9500 .
C5 N1 1.355(5) .
C5 C6 1.480(5) .
C6 N2 1.343(5) .
C6 N3 1.409(5) .
C7 N5 1.339(5) .
C7 N4 1.404(5) .
C7 C8 1.478(5) .
C8 N6 1.353(5) .
C8 C9 1.389(5) .
C9 C10 1.390(6) .
C9 H9 0.9500 .
C10 C11 1.369(6) .
C10 H10 0.9500 .
C11 C12 1.383(6) .
C11 H11 0.9500 .
C12 N6 1.337(5) .
C12 H12 0.9500 .
C13 N7 1.339(6) .
C13 C14 1.390(6) .
C13 H13 0.9500 .
C14 C15 1.381(7) .
C14 H14 0.9500 .
C15 C16 1.379(7) .
C15 H15 0.9500 .
C16 C17 1.397(6) .
C16 H16 0.9500 .
C17 N7 1.351(5) .
C17 C18 1.479(6) .
C18 N8 1.342(5) .
C18 N9 1.411(6) .
C19 N11 1.337(5) .
C19 N10 1.407(6) .
C19 C20 1.482(6) .
C20 N12 1.351(6) .
C20 C21 1.385(6) .
C21 C22 1.384(8) .
C21 H21 0.9500 .
C22 C23 1.369(9) .
C22 H22 0.9500 .
C23 C24 1.382(7) .
C23 H23 0.9500 .
C24 N12 1.342(6) .
C24 H24 0.9500 .
C25 C26 1.486(8) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 O9 1.211(6) .
C26 C27 1.482(8) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
N1 Cu1 2.023(3) .
N2 N5 1.349(4) .
N2 Cu1 1.983(3) .
N3 N4 1.390(6) .
N3 H3A 0.8800 .
N4 H3B 0.8800 .
N5 Cu2 1.990(3) .
N6 Cu2 2.006(3) .
N7 Cu2 2.012(3) .
N8 N11 1.352(5) .
N8 Cu2 1.987(3) .
N9 N10 1.396(7) .
N9 H9A 0.8800 .
N10 H9B 0.8800 .
N11 Cu3 1.972(3) .
N12 Cu3 2.028(4) .
O1 Cl1 1.448(3) .
O2 Cl1 1.424(4) .
O3 Cl1 1.433(4) .
O4 Cl1 1.432(4) .
Cu1 N2 1.983(3) 2
Cu1 N1 2.023(3) 2
Cu3 N11 1.972(3) 2
Cu3 N12 2.028(4) 2
Cl2A O7A 1.398(7) .
Cl2A O6A 1.411(7) .
Cl2A O8A 1.413(7) .
Cl2A O5A 1.415(7) .
Cl2B O7B 1.404(8) .
Cl2B O8B 1.404(8) .
Cl2B O6B 1.414(8) .
Cl2B O5B 1.417(8) .
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_4
N1 C1 C2 C3 -2.1(8) .
C1 C2 C3 C4 1.6(8) .
C2 C3 C4 C5 0.2(7) .
C3 C4 C5 N1 -1.7(7) .
C3 C4 C5 C6 178.2(4) .
N1 C5 C6 N2 -10.5(5) .
C4 C5 C6 N2 169.6(4) .
N1 C5 C6 N3 166.8(4) .
C4 C5 C6 N3 -13.1(6) .
N5 C7 C8 N6 -4.9(5) .
N4 C7 C8 N6 176.2(4) .
N5 C7 C8 C9 174.1(3) .
N4 C7 C8 C9 -4.8(6) .
N6 C8 C9 C10 0.7(6) .
C7 C8 C9 C10 -178.2(4) .
C8 C9 C10 C11 0.8(6) .
C9 C10 C11 C12 -1.7(6) .
C10 C11 C12 N6 1.1(6) .
N7 C13 C14 C15 -0.9(7) .
C13 C14 C15 C16 2.0(7) .
C14 C15 C16 C17 -1.4(7) .
C15 C16 C17 N7 -0.3(6) .
C15 C16 C17 C18 179.8(4) .
N7 C17 C18 N8 -12.9(5) .
C16 C17 C18 N8 167.0(4) .
N7 C17 C18 N9 167.4(4) .
C16 C17 C18 N9 -12.7(6) .
N11 C19 C20 N12 -12.2(5) .
N10 C19 C20 N12 167.3(4) .
N11 C19 C20 C21 166.5(4) .
N10 C19 C20 C21 -14.1(6) .
N12 C20 C21 C22 2.1(7) .
C19 C20 C21 C22 -176.5(4) .
C20 C21 C22 C23 -3.1(7) .
C21 C22 C23 C24 1.6(8) .
C22 C23 C24 N12 1.0(7) .
C2 C1 N1 C5 0.8(7) .
C2 C1 N1 Cu1 169.5(4) .
C4 C5 N1 C1 1.2(6) .
C6 C5 N1 C1 -178.7(4) .
C4 C5 N1 Cu1 -169.2(3) .
C6 C5 N1 Cu1 10.9(4) .
N3 C6 N2 N5 2.0(6) .
C5 C6 N2 N5 179.4(3) .
N3 C6 N2 Cu1 -172.6(3) .
C5 C6 N2 Cu1 4.8(4) .
N2 C6 N3 N4 -5.3(6) .
C5 C6 N3 N4 177.5(4) .
C6 N3 N4 C7 4.6(6) .
N5 C7 N4 N3 -0.9(6) .
C8 C7 N4 N3 177.8(4) .
N4 C7 N5 N2 -2.5(5) .
C8 C7 N5 N2 178.6(3) .
N4 C7 N5 Cu2 -175.2(3) .
C8 C7 N5 Cu2 6.0(4) .
C6 N2 N5 C7 2.0(5) .
Cu1 N2 N5 C7 176.1(3) .
C6 N2 N5 Cu2 173.9(3) .
Cu1 N2 N5 Cu2 -11.9(4) .
C11 C12 N6 C8 0.5(6) .
C11 C12 N6 Cu2 176.0(3) .
C9 C8 N6 C12 -1.4(6) .
C7 C8 N6 C12 177.7(3) .
C9 C8 N6 Cu2 -177.5(3) .
C7 C8 N6 Cu2 1.5(4) .
C14 C13 N7 C17 -0.8(6) .
C14 C13 N7 Cu2 168.4(3) .
C16 C17 N7 C13 1.4(6) .
C18 C17 N7 C13 -178.7(4) .
C16 C17 N7 Cu2 -169.2(3) .
C18 C17 N7 Cu2 10.7(4) .
N9 C18 N8 N11 -2.5(6) .
C17 C18 N8 N11 177.8(3) .
N9 C18 N8 Cu2 -171.5(3) .
C17 C18 N8 Cu2 8.8(4) .
N8 C18 N9 N10 -0.1(6) .
C17 C18 N9 N10 179.5(4) .
C18 N9 N10 C19 2.5(6) .
N11 C19 N10 N9 -2.5(6) .
C20 C19 N10 N9 178.1(4) .
N10 C19 N11 N8 0.0(6) .
C20 C19 N11 N8 179.4(3) .
N10 C19 N11 Cu3 -174.5(3) .
C20 C19 N11 Cu3 4.9(4) .
C18 N8 N11 C19 2.6(5) .
Cu2 N8 N11 C19 170.7(3) .
C18 N8 N11 Cu3 176.6(3) .
Cu2 N8 N11 Cu3 -15.3(4) .
C23 C24 N12 C20 -2.0(7) .
C23 C24 N12 Cu3 161.7(4) .
C21 C20 N12 C24 0.4(6) .
C19 C20 N12 C24 179.1(4) .
C21 C20 N12 Cu3 -165.5(3) .
C19 C20 N12 Cu3 13.1(4) .
C6 N2 Cu1 N2 140.3(3) 2
N5 N2 Cu1 N2 -34.2(2) 2
C6 N2 Cu1 N1 -100.2(3) 2
N5 N2 Cu1 N1 85.4(3) 2
C6 N2 Cu1 N1 0.8(3) .
N5 N2 Cu1 N1 -173.6(3) .
C1 N1 Cu1 N2 -175.9(4) .
C5 N1 Cu1 N2 -6.7(3) .
C1 N1 Cu1 N2 46.8(4) 2
C5 N1 Cu1 N2 -144.0(3) 2
C1 N1 Cu1 N1 -44.2(3) 2
C5 N1 Cu1 N1 125.0(3) 2
C18 N8 Cu2 N5 -120.9(3) .
N11 N8 Cu2 N5 70.5(3) .
C18 N8 Cu2 N6 132.0(3) .
N11 N8 Cu2 N6 -36.6(3) .
C18 N8 Cu2 N7 -2.6(3) .
N11 N8 Cu2 N7 -171.2(3) .
C7 N5 Cu2 N8 -123.9(3) .
N2 N5 Cu2 N8 63.7(3) .
C7 N5 Cu2 N6 -4.1(3) .
N2 N5 Cu2 N6 -176.4(3) .
C7 N5 Cu2 N7 130.6(3) .
N2 N5 Cu2 N7 -41.8(3) .
C12 N6 Cu2 N8 -35.2(4) .
C8 N6 Cu2 N8 140.4(3) .
C12 N6 Cu2 N5 -174.4(4) .
C8 N6 Cu2 N5 1.2(3) .
C12 N6 Cu2 N7 68.2(4) .
C8 N6 Cu2 N7 -116.1(3) .
C13 N7 Cu2 N8 -174.4(4) .
C17 N7 Cu2 N8 -4.7(3) .
C13 N7 Cu2 N5 -35.7(4) .
C17 N7 Cu2 N5 134.0(3) .
C13 N7 Cu2 N6 67.6(4) .
C17 N7 Cu2 N6 -122.7(3) .
C19 N11 Cu3 N11 141.5(3) 2
N8 N11 Cu3 N11 -32.8(2) 2
C19 N11 Cu3 N12 -99.0(3) 2
N8 N11 Cu3 N12 86.7(3) 2
C19 N11 Cu3 N12 1.6(3) .
N8 N11 Cu3 N12 -172.7(3) .
C24 N12 Cu3 N11 -172.9(4) .
C20 N12 Cu3 N11 -8.4(3) .
C24 N12 Cu3 N11 50.3(4) 2
C20 N12 Cu3 N11 -145.2(3) 2
C24 N12 Cu3 N12 -40.7(3) 2
C20 N12 Cu3 N12 123.9(3) 2
