#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:35:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180188 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/84/7108456.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_7108456
loop_
_publ_author_name
'Antoine Beziau'
'Stephane A. Baudron'
'Dmitry Pogozhev'
'Audrey Fluck'
'Mir Wais Hosseini'
_publ_section_title
;
 Stepwise construction of grid-type Cu(II)/Cd(II) heterometallic MOFs
 based on an imidazole-appended dipyrrin ligand
;
_journal_coden_Cambridge         0182
_journal_name_full               Chem.Commun.
_journal_page_first              10313
_journal_paper_doi               10.1039/c2cc35543d
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety         '2(C36 H26 Cu N8), 3(C H Cl3)'
_chemical_formula_sum            'C75 H55 Cl9 Cu2 N16'
_chemical_formula_weight         1626.55
_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                 130.2960(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   37.4262(12)
_cell_length_b                   8.9610(3)
_cell_length_c                   28.2529(16)
_cell_measurement_reflns_used    4897
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.84
_cell_measurement_theta_min      2.73
_cell_volume                     7227.0(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II 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  0.0320
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            21262
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    0.978
_exptl_absorpt_correction_T_max  0.9619
_exptl_absorpt_correction_T_min  0.8916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3311
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.477
_refine_diff_density_min         -1.485
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         8279
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0835
_refine_ls_R_factor_gt           0.0618
_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)+(0.0664P)²+35.2259P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1464
_refine_ls_wR_factor_ref         0.1668
_reflns_number_gt                6291
_reflns_number_total             8279
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc35543d.txt
_cod_data_source_block           compound2
_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      'C2/c '
_cod_database_code               7108456
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 0.11996(14) 0.9681(4) 0.22293(18) 0.0317(8) Uani 1 1 d . . .
H1 H 0.0961 1.0349 0.1950 0.038 Uiso 1 1 calc R . .
C2 C 0.13570(14) 0.9394(5) 0.28271(19) 0.0356(9) Uani 1 1 d . . .
H2 H 0.1245 0.9820 0.3010 0.043 Uiso 1 1 calc R . .
C3 C 0.17094(13) 0.8357(4) 0.30869(17) 0.0306(8) Uani 1 1 d . . .
H3 H 0.1886 0.7956 0.3484 0.037 Uiso 1 1 calc R . .
C4 C 0.17532(11) 0.8014(4) 0.26354(15) 0.0230(7) Uani 1 1 d . . .
C5 C 0.20679(11) 0.7004(4) 0.26969(16) 0.0235(7) Uani 1 1 d . . .
C6 C 0.21058(11) 0.6713(4) 0.22465(15) 0.0222(7) Uani 1 1 d . . .
C7 C 0.24195(12) 0.5716(4) 0.22888(17) 0.0268(7) Uani 1 1 d . . .
H7 H 0.2633 0.5086 0.2620 0.032 Uiso 1 1 calc R . .
C8 C 0.23515(13) 0.5850(4) 0.17512(18) 0.0331(8) Uani 1 1 d . . .
H8 H 0.2512 0.5348 0.1650 0.040 Uiso 1 1 calc R . .
C9 C 0.19891(12) 0.6903(4) 0.13839(17) 0.0272(7) Uani 1 1 d . . .
H9 H 0.1870 0.7198 0.0990 0.033 Uiso 1 1 calc R . .
C10 C 0.23781(12) 0.6178(4) 0.32969(16) 0.0239(7) Uani 1 1 d . . .
C11 C 0.21876(13) 0.5068(5) 0.34176(18) 0.0379(10) Uani 1 1 d . . .
H11 H 0.1876 0.4796 0.3112 0.045 Uiso 1 1 calc R . .
C12 C 0.24586(13) 0.4364(5) 0.39895(19) 0.0381(10) Uani 1 1 d . . .
H12 H 0.2331 0.3613 0.4067 0.046 Uiso 1 1 calc R . .
C13 C 0.29207(12) 0.4786(4) 0.44442(16) 0.0256(7) Uani 1 1 d . . .
C14 C 0.31189(12) 0.5853(4) 0.43276(16) 0.0290(8) Uani 1 1 d . . .
H14 H 0.3433 0.6109 0.4633 0.035 Uiso 1 1 calc R . .
C15 C 0.28481(12) 0.6549(4) 0.37515(16) 0.0271(7) Uani 1 1 d . . .
H15 H 0.2982 0.7265 0.3670 0.033 Uiso 1 1 calc R . .
C16 C 0.30199(16) 0.3763(5) 0.5343(2) 0.0440(11) Uani 1 1 d . . .
H16 H 0.2713 0.3907 0.5182 0.053 Uiso 1 1 calc R . .
C17 C 0.37609(19) 0.3169(6) 0.5955(2) 0.0551(8) Uani 1 1 d . . .
H17 H 0.4055 0.2826 0.6297 0.066 Uiso 1 1 calc R . .
C18 C 0.36509(14) 0.3725(5) 0.54415(18) 0.0393(10) Uani 1 1 d . . .
H18 H 0.3855 0.3833 0.5362 0.047 Uiso 1 1 calc R . .
C19 C 0.08576(12) 0.7016(4) 0.02373(16) 0.0252(7) Uani 1 1 d . . .
H19 H 0.1045 0.6194 0.0466 0.030 Uiso 1 1 calc R . .
C20 C 0.04549(13) 0.6959(4) -0.03930(17) 0.0300(8) Uani 1 1 d . . .
H20 H 0.0331 0.6121 -0.0648 0.036 Uiso 1 1 calc R . .
C21 C 0.02792(12) 0.8392(4) -0.05584(16) 0.0273(7) Uani 1 1 d . . .
H21 H 0.0012 0.8706 -0.0947 0.033 Uiso 1 1 calc R . .
C22 C 0.05827(11) 0.9294(4) -0.00251(15) 0.0201(6) Uani 1 1 d . . .
C23 C 0.05556(11) 1.0845(4) 0.00273(15) 0.0211(7) Uani 1 1 d . . .
C24 C 0.08443(11) 1.1651(4) 0.05781(15) 0.0211(7) Uani 1 1 d . . .
C25 C 0.08961(12) 1.3233(4) 0.06491(17) 0.0268(7) Uani 1 1 d . . .
H25 H 0.0725 1.3938 0.0334 0.032 Uiso 1 1 calc R . .
C26 C 0.12464(13) 1.3519(4) 0.12714(17) 0.0285(8) Uani 1 1 d . . .
H26 H 0.1361 1.4451 0.1457 0.034 Uiso 1 1 calc R . .
C27 C 0.13961(12) 1.2133(4) 0.15698(17) 0.0255(7) Uani 1 1 d . . .
H27 H 0.1628 1.2007 0.1996 0.031 Uiso 1 1 calc R . .
C28 C 0.02092(11) 1.1703(4) -0.05502(15) 0.0211(7) Uani 1 1 d . . .
C29 C -0.01131(12) 1.2648(4) -0.06043(17) 0.0258(7) Uani 1 1 d . . .
H29 H -0.0124 1.2687 -0.0285 0.031 Uiso 1 1 calc R . .
C30 C -0.04149(12) 1.3526(4) -0.11252(17) 0.0286(8) Uani 1 1 d . . .
H30 H -0.0630 1.4138 -0.1157 0.034 Uiso 1 1 calc R . .
C31 C -0.03969(11) 1.3496(4) -0.15971(16) 0.0257(7) Uani 1 1 d . . .
C32 C -0.00819(13) 1.2558(4) -0.15550(17) 0.0306(8) Uani 1 1 d . . .
H32 H -0.0069 1.2537 -0.1873 0.037 Uiso 1 1 calc R . .
C33 C 0.02134(13) 1.1655(4) -0.10393(17) 0.0292(8) Uani 1 1 d . . .
H33 H 0.0417 1.1008 -0.1019 0.035 Uiso 1 1 calc R . .
C34 C -0.08721(14) 1.4184(5) -0.27106(19) 0.0399(10) Uani 1 1 d . . .
H34 H -0.0830 1.3297 -0.2840 0.048 Uiso 1 1 calc R . .
C35 C -0.10859(15) 1.6374(5) -0.2706(2) 0.0498(13) Uani 1 1 d . . .
H35 H -0.1224 1.7313 -0.2841 0.060 Uiso 1 1 calc R . .
C36 C -0.08275(14) 1.5881(5) -0.2114(2) 0.0420(10) Uani 1 1 d . . .
H36 H -0.0759 1.6390 -0.1777 0.050 Uiso 1 1 calc R . .
N1 N 0.18376(10) 0.7428(3) 0.16699(13) 0.0234(6) Uani 1 1 d . . .
N2 N 0.14358(10) 0.8871(3) 0.21123(13) 0.0242(6) Uani 1 1 d . . .
N3 N 0.31867(11) 0.4115(4) 0.50459(14) 0.0297(7) Uani 1 1 d . . .
N4 N 0.33651(15) 0.3182(5) 0.59000(18) 0.0551(8) Uani 1 1 d . . .
N5 N 0.09396(9) 0.8398(3) 0.04681(13) 0.0208(6) Uani 1 1 d . . .
N6 N 0.11623(10) 1.1007(3) 0.11635(13) 0.0218(6) Uani 1 1 d . . .
N7 N -0.06873(10) 1.4454(4) -0.21189(15) 0.0312(7) Uani 1 1 d . . .
N8 N -0.11175(12) 1.5318(5) -0.30806(18) 0.0487(10) Uani 1 1 d . . .
Cu1 Cu 0.134569(14) 0.89112(4) 0.135153(18) 0.02054(12) Uani 1 1 d . . .
C37 C 0.1554(2) 0.4266(7) 0.9451(3) 0.0621(14) Uani 1 1 d . . .
H37 H 0.1501 0.4988 0.9150 0.075 Uiso 1 1 calc R A 1
Cl1A Cl 0.19576(12) 0.5072(3) 1.02158(10) 0.0937(11) Uani 0.720(5) 1 d P B 1
Cl2A Cl 0.17871(19) 0.2726(4) 0.94165(18) 0.142(2) Uani 0.720(5) 1 d P B 1
Cl3A Cl 0.10421(10) 0.3980(5) 0.9297(2) 0.1240(15) Uani 0.720(5) 1 d P B 1
Cl3B Cl 0.1226(3) 0.2319(7) 0.9025(3) 0.088(2) Uani 0.280(5) 1 d P B 2
Cl1B Cl 0.1366(6) 0.4518(11) 0.9821(6) 0.180(8) Uani 0.280(5) 1 d P B 2
Cl2B Cl 0.2090(3) 0.3701(18) 0.9849(8) 0.221(11) Uani 0.280(5) 1 d P B 2
C38 C -0.0205(3) 0.7923(12) 0.7285(4) 0.054(3) Uani 0.50 1 d P . .
Cl4 Cl 0.0000 0.6281(3) 0.7500 0.204(3) Uani 1 2 d S . .
Cl5 Cl -0.01770(9) 0.9027(3) 0.78058(12) 0.1203(9) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1480 0.1590 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3200 1.2650 '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 C1 C2 111.5(3) . .
N2 C1 H1 124.3 . .
C2 C1 H1 124.3 . .
C3 C2 C1 106.1(3) . .
C3 C2 H2 127.0 . .
C1 C2 H2 127.0 . .
C2 C3 C4 107.1(3) . .
C2 C3 H3 126.4 . .
C4 C3 H3 126.4 . .
N2 C4 C5 124.2(3) . .
N2 C4 C3 108.7(3) . .
C5 C4 C3 127.1(3) . .
C6 C5 C4 125.5(3) . .
C6 C5 C10 118.8(3) . .
C4 C5 C10 115.8(3) . .
C5 C6 N1 123.9(3) . .
C5 C6 C7 127.5(3) . .
N1 C6 C7 108.6(3) . .
C8 C7 C6 107.5(3) . .
C8 C7 H7 126.2 . .
C6 C7 H7 126.2 . .
C7 C8 C9 105.9(3) . .
C7 C8 H8 127.0 . .
C9 C8 H8 127.0 . .
N1 C9 C8 111.9(3) . .
N1 C9 H9 124.1 . .
C8 C9 H9 124.1 . .
C11 C10 C15 119.2(3) . .
C11 C10 C5 119.2(3) . .
C15 C10 C5 121.4(3) . .
C12 C11 C10 120.5(3) . .
C12 C11 H11 119.7 . .
C10 C11 H11 119.7 . .
C13 C12 C11 119.4(4) . .
C13 C12 H12 120.3 . .
C11 C12 H12 120.3 . .
C14 C13 C12 120.8(3) . .
C14 C13 N3 120.5(3) . .
C12 C13 N3 118.6(3) . .
C13 C14 C15 119.7(3) . .
C13 C14 H14 120.2 . .
C15 C14 H14 120.2 . .
C14 C15 C10 120.2(3) . .
C14 C15 H15 119.9 . .
C10 C15 H15 119.9 . .
N4 C16 N3 109.6(4) . .
N4 C16 H16 125.2 . .
N3 C16 H16 125.2 . .
C18 C17 N4 108.8(4) . .
C18 C17 H17 125.6 . .
N4 C17 H17 125.6 . .
C17 C18 N3 108.8(4) . .
C17 C18 H18 125.6 . .
N3 C18 H18 125.6 . .
N5 C19 C20 111.8(3) . .
N5 C19 H19 124.1 . .
C20 C19 H19 124.1 . .
C21 C20 C19 106.3(3) . .
C21 C20 H20 126.8 . .
C19 C20 H20 126.8 . .
C20 C21 C22 107.0(3) . .
C20 C21 H21 126.5 . .
C22 C21 H21 126.5 . .
N5 C22 C23 123.3(3) . .
N5 C22 C21 108.9(3) . .
C23 C22 C21 127.8(3) . .
C24 C23 C22 124.9(3) . .
C24 C23 C28 117.2(3) . .
C22 C23 C28 117.8(3) . .
C23 C24 N6 124.3(3) . .
C23 C24 C25 127.5(3) . .
N6 C24 C25 108.1(3) . .
C26 C25 C24 107.2(3) . .
C26 C25 H25 126.4 . .
C24 C25 H25 126.4 . .
C25 C26 C27 106.5(3) . .
C25 C26 H26 126.8 . .
C27 C26 H26 126.8 . .
N6 C27 C26 111.5(3) . .
N6 C27 H27 124.3 . .
C26 C27 H27 124.3 . .
C33 C28 C29 118.2(3) . .
C33 C28 C23 120.9(3) . .
C29 C28 C23 120.8(3) . .
C30 C29 C28 120.9(3) . .
C30 C29 H29 119.5 . .
C28 C29 H29 119.5 . .
C31 C30 C29 120.1(3) . .
C31 C30 H30 120.0 . .
C29 C30 H30 120.0 . .
C30 C31 C32 119.9(3) . .
C30 C31 N7 120.6(3) . .
C32 C31 N7 119.5(3) . .
C33 C32 C31 120.0(3) . .
C33 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
C32 C33 C28 120.8(3) . .
C32 C33 H33 119.6 . .
C28 C33 H33 119.6 . .
N8 C34 N7 112.3(4) . .
N8 C34 H34 123.8 . .
N7 C34 H34 123.8 . .
C36 C35 N8 111.4(4) . .
C36 C35 H35 124.3 . .
N8 C35 H35 124.3 . .
C35 C36 N7 105.2(4) . .
C35 C36 H36 127.4 . .
N7 C36 H36 127.4 . .
C9 N1 C6 106.1(3) . .
C9 N1 Cu1 127.0(2) . .
C6 N1 Cu1 126.9(2) . .
C1 N2 C4 106.6(3) . .
C1 N2 Cu1 126.2(2) . .
C4 N2 Cu1 127.2(2) . .
C16 N3 C18 106.4(3) . .
C16 N3 C13 125.6(3) . .
C18 N3 C13 128.0(3) . .
C16 N4 C17 106.5(4) . .
C19 N5 C22 106.0(3) . .
C19 N5 Cu1 125.6(2) . .
C22 N5 Cu1 125.9(2) . .
C27 N6 C24 106.8(3) . .
C27 N6 Cu1 124.8(2) . .
C24 N6 Cu1 127.0(2) . .
C34 N7 C36 106.4(3) . .
C34 N7 C31 127.6(3) . .
C36 N7 C31 126.0(4) . .
C34 N8 C35 104.7(4) . .
N2 Cu1 N6 95.59(12) . .
N2 Cu1 N1 92.32(12) . .
N6 Cu1 N1 147.15(12) . .
N2 Cu1 N5 146.97(12) . .
N6 Cu1 N5 91.87(11) . .
N1 Cu1 N5 98.64(12) . .
Cl1B C37 Cl2B 117.2(9) . .
Cl1B C37 Cl2A 128.2(5) . .
Cl2B C37 Cl2A 47.5(7) . .
Cl1B C37 Cl3A 44.6(6) . .
Cl2B C37 Cl3A 145.1(5) . .
Cl2A C37 Cl3A 114.1(4) . .
Cl1B C37 Cl1A 62.9(7) . .
Cl2B C37 Cl1A 65.9(8) . .
Cl2A C37 Cl1A 109.7(4) . .
Cl3A C37 Cl1A 107.5(3) . .
Cl1B C37 Cl3B 99.0(7) . .
Cl2B C37 Cl3B 98.4(8) . .
Cl2A C37 Cl3B 52.4(3) . .
Cl3A C37 Cl3B 64.2(3) . .
Cl1A C37 Cl3B 140.7(4) . .
Cl1B C37 H37 122.7 . .
Cl2B C37 H37 105.9 . .
Cl2A C37 H37 108.5 . .
Cl3A C37 H37 108.5 . .
Cl1A C37 H37 108.5 . .
Cl3B C37 H37 110.5 . .
C38 C38 Cl4 68.0(4) 2_556 .
C38 C38 Cl5 78.5(8) 2_556 .
Cl4 C38 Cl5 117.3(6) . .
C38 C38 Cl5 63.3(7) 2_556 2_556
Cl4 C38 Cl5 108.5(5) . 2_556
Cl5 C38 Cl5 100.5(6) . 2_556
C38 Cl4 C38 44.0(7) 2_556 .
C38 Cl5 C38 38.2(5) . 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N2 1.340(5) .
C1 C2 1.406(5) .
C1 H1 0.9300 .
C2 C3 1.374(6) .
C2 H2 0.9300 .
C3 C4 1.421(5) .
C3 H3 0.9300 .
C4 N2 1.384(4) .
C4 C5 1.404(5) .
C5 C6 1.393(5) .
C5 C10 1.491(5) .
C6 N1 1.399(4) .
C6 C7 1.417(5) .
C7 C8 1.374(5) .
C7 H7 0.9300 .
C8 C9 1.410(5) .
C8 H8 0.9300 .
C9 N1 1.337(4) .
C9 H9 0.9300 .
C10 C11 1.388(5) .
C10 C15 1.390(5) .
C11 C12 1.385(5) .
C11 H11 0.9300 .
C12 C13 1.382(5) .
C12 H12 0.9300 .
C13 C14 1.375(5) .
C13 N3 1.433(4) .
C14 C15 1.390(5) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 N4 1.337(5) .
C16 N3 1.368(5) .
C16 H16 0.9300 .
C17 C18 1.323(6) .
C17 N4 1.386(7) .
C17 H17 0.9300 .
C18 N3 1.370(5) .
C18 H18 0.9300 .
C19 N5 1.340(4) .
C19 C20 1.405(5) .
C19 H19 0.9300 .
C20 C21 1.380(5) .
C20 H20 0.9300 .
C21 C22 1.414(5) .
C21 H21 0.9300 .
C22 N5 1.401(4) .
C22 C23 1.408(5) .
C23 C24 1.391(5) .
C23 C28 1.482(4) .
C24 N6 1.392(4) .
C24 C25 1.427(5) .
C25 C26 1.376(5) .
C25 H25 0.9300 .
C26 C27 1.399(5) .
C26 H26 0.9300 .
C27 N6 1.342(4) .
C27 H27 0.9300 .
C28 C33 1.393(5) .
C28 C29 1.400(5) .
C29 C30 1.382(5) .
C29 H29 0.9300 .
C30 C31 1.378(5) .
C30 H30 0.9300 .
C31 C32 1.389(5) .
C31 N7 1.421(4) .
C32 C33 1.385(5) .
C32 H32 0.9300 .
C33 H33 0.9300 .
C34 N8 1.314(5) .
C34 N7 1.355(5) .
C34 H34 0.9300 .
C35 C36 1.355(6) .
C35 N8 1.366(7) .
C35 H35 0.9300 .
C36 N7 1.386(5) .
C36 H36 0.9300 .
N1 Cu1 1.955(3) .
N2 Cu1 1.949(3) .
N5 Cu1 1.961(3) .
N6 Cu1 1.952(3) .
C37 Cl1B 1.611(10) .
C37 Cl2B 1.621(12) .
C37 Cl2A 1.668(6) .
C37 Cl3A 1.689(6) .
C37 Cl1A 1.804(6) .
C37 Cl3B 2.021(9) .
C37 H37 0.9800 .
C38 C38 1.189(18) 2_556
C38 Cl4 1.587(11) .
C38 Cl5 1.720(11) .
C38 Cl5 1.886(11) 2_556
Cl4 C38 1.587(11) 2_556
Cl5 C38 1.886(11) 2_556
