#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:32:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179484 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/81/4338189.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_4338189
loop_
_publ_author_name
'Madalan, Augustin M.'
'Cao, Xiao-Yu'
'Rogez, Guillaume'
'Lehn, Jean-Marie'
_publ_section_title
;
 Ferromagnetic Coupling in Copper(II) [2 × 2] Grid-like Complexes.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4275
_journal_page_last               4277
_journal_paper_doi               10.1021/ic500285m
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C128 H136 Cl8 Cu4 N32 O48'
_chemical_formula_weight         3428.45
_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                 105.286(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.760(2)
_cell_length_b                   16.635(2)
_cell_length_c                   31.940(3)
_cell_measurement_reflns_used    198
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2.5
_cell_volume                     14740(3)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       KappaCCD
_computing_data_reduction        'Denzo and Scalepak'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.925
_diffrn_measured_fraction_theta_max 0.925
_diffrn_measurement_device_type  'CCD area_detector'
_diffrn_measurement_method       'phi-omega scans'
_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  0.1026
_diffrn_reflns_av_sigmaI/netI    0.1227
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            36748
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         2.52
_exptl_absorpt_coefficient_mu    0.811
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.728932
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             7056
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.664
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1006
_refine_ls_number_reflns         10692
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1576
_refine_ls_R_factor_gt           0.0796
_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)+(0.0965P)²+53.8652P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1882
_refine_ls_wR_factor_ref         0.2245
_reflns_number_gt                5833
_reflns_number_total             10692
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500285m_si_002.cif
_cod_data_source_block           am51
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 

 Adding full bibliography for 4338188--4338189.cif.

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               4338189
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
C1 C 0.3215(3) 0.8155(6) 0.0652(3) 0.068(3) Uani 1 1 d .
H1 H 0.3239 0.8702 0.0714 0.082 Uiso 1 1 calc R
C2 C 0.3159(4) 0.7920(7) 0.0220(3) 0.086(3) Uani 1 1 d .
H2 H 0.3147 0.8302 0.0006 0.104 Uiso 1 1 calc R
C3 C 0.3122(4) 0.7129(7) 0.0121(3) 0.083(3) Uani 1 1 d .
H3 H 0.3095 0.6955 -0.0161 0.099 Uiso 1 1 calc R
C4 C 0.3124(3) 0.6571(6) 0.0458(3) 0.072(3) Uani 1 1 d .
H4 H 0.3081 0.6025 0.0399 0.086 Uiso 1 1 calc R
C5 C 0.3195(3) 0.6868(5) 0.0883(3) 0.053(2) Uani 1 1 d .
C6 C 0.3275(3) 0.6320(5) 0.1252(3) 0.051(2) Uani 1 1 d .
H6 H 0.3197 0.5778 0.1209 0.061 Uiso 1 1 calc R
C7 C 0.3770(2) 0.6449(4) 0.2390(2) 0.0413(19) Uani 1 1 d .
C8 C 0.3931(3) 0.6003(4) 0.2772(2) 0.046(2) Uani 1 1 d .
H8 H 0.3909 0.5445 0.2772 0.055 Uiso 1 1 calc R
C9 C 0.4124(2) 0.6429(4) 0.3148(2) 0.0405(19) Uani 1 1 d .
C10 C 0.3928(2) 0.7616(4) 0.2785(2) 0.0380(18) Uani 1 1 d .
C11 C 0.3836(3) 0.8489(4) 0.2804(2) 0.0409(19) Uani 1 1 d .
C12 C 0.4142(3) 0.9069(5) 0.2711(2) 0.054(2) Uani 1 1 d .
H12 H 0.4423 0.8916 0.2641 0.065 Uiso 1 1 calc R
C13 C 0.4024(4) 0.9892(5) 0.2723(3) 0.072(3) Uani 1 1 d .
H13 H 0.4226 1.0289 0.2666 0.087 Uiso 1 1 calc R
C14 C 0.3596(5) 1.0086(6) 0.2824(3) 0.084(3) Uani 1 1 d .
H14 H 0.3511 1.0624 0.2834 0.100 Uiso 1 1 calc R
C15 C 0.3299(4) 0.9513(6) 0.2906(3) 0.080(3) Uani 1 1 d .
H15 H 0.3013 0.9662 0.2968 0.096 Uiso 1 1 calc R
C16 C 0.3411(3) 0.8727(5) 0.2898(3) 0.058(2) Uani 1 1 d .
H16 H 0.3202 0.8341 0.2955 0.070 Uiso 1 1 calc R
C17 C 0.4725(3) 0.6277(5) 0.4260(3) 0.058(2) Uani 1 1 d .
H17 H 0.4713 0.5742 0.4342 0.070 Uiso 1 1 calc R
C18 C 0.4981(3) 0.6887(5) 0.4561(3) 0.052(2) Uani 1 1 d .
C19 C 0.5301(3) 0.6700(6) 0.4954(3) 0.072(3) Uani 1 1 d .
H19 H 0.5317 0.6187 0.5071 0.086 Uiso 1 1 calc R
C20 C 0.5602(3) 0.7320(7) 0.5167(3) 0.078(3) Uani 1 1 d .
H20 H 0.5836 0.7210 0.5422 0.093 Uiso 1 1 calc R
C21 C 0.5557(3) 0.8084(6) 0.5005(3) 0.070(3) Uani 1 1 d .
H21 H 0.5752 0.8499 0.5148 0.084 Uiso 1 1 calc R
C22 C 0.5208(3) 0.8215(5) 0.4621(3) 0.056(2) Uani 1 1 d .
H22 H 0.5166 0.8736 0.4512 0.067 Uiso 1 1 calc R
C23 C 0.3573(3) 0.5221(4) 0.1929(3) 0.048(2) Uani 1 1 d .
H23A H 0.3812 0.4979 0.2168 0.058 Uiso 1 1 calc R
H23B H 0.3661 0.5097 0.1664 0.058 Uiso 1 1 calc R
C24 C 0.3081(3) 0.4848(4) 0.1907(3) 0.057(2) Uani 1 1 d .
H24A H 0.3011 0.4894 0.2187 0.068 Uiso 1 1 calc R
H24B H 0.2832 0.5130 0.1694 0.068 Uiso 1 1 calc R
C25 C 0.3087(4) 0.3964(6) 0.1781(4) 0.082(3) Uani 1 1 d .
H25 H 0.2783 0.3702 0.1784 0.099 Uiso 1 1 calc R
C26 C 0.3464(7) 0.3275(11) 0.1345(7) 0.195(9) Uani 1 1 d .
H26A H 0.3748 0.3440 0.1258 0.234 Uiso 1 1 calc R
H26B H 0.3295 0.2871 0.1143 0.234 Uiso 1 1 calc R
C27 C 0.3609(7) 0.2936(9) 0.1798(7) 0.163(8) Uani 1 1 d .
H27A H 0.3436 0.2442 0.1817 0.196 Uiso 1 1 calc R
H27B H 0.3952 0.2833 0.1891 0.196 Uiso 1 1 calc R
C28 C 0.4370(3) 0.5144(5) 0.3579(3) 0.067(2) Uani 1 1 d .
H28A H 0.4670 0.5027 0.3794 0.080 Uiso 1 1 calc R
H28B H 0.4393 0.4925 0.3304 0.080 Uiso 1 1 calc R
C29 C 0.3963(3) 0.4746(5) 0.3708(3) 0.074(3) Uani 1 1 d .
H29A H 0.3659 0.4883 0.3504 0.089 Uiso 1 1 calc R
H29B H 0.3953 0.4927 0.3994 0.089 Uiso 1 1 calc R
C30 C 0.4042(4) 0.3846(6) 0.3710(4) 0.085(3) Uani 1 1 d .
H30 H 0.3782 0.3572 0.3800 0.102 Uiso 1 1 calc R
C31 C 0.4325(8) 0.2912(12) 0.3328(10) 0.235(14) Uani 1 1 d .
H31A H 0.4472 0.2861 0.3088 0.282 Uiso 1 1 calc R
H31B H 0.4144 0.2429 0.3349 0.282 Uiso 1 1 calc R
C32 C 0.4687(8) 0.3093(13) 0.3740(9) 0.225(14) Uani 1 1 d .
H32A H 0.4782 0.2601 0.3903 0.270 Uiso 1 1 calc R
H32B H 0.4971 0.3329 0.3681 0.270 Uiso 1 1 calc R
C41 C 0.2559(3) 0.7306(5) 0.1927(3) 0.060(2) Uani 1 1 d .
H41 H 0.2660 0.6782 0.1899 0.072 Uiso 1 1 calc R
C42 C 0.2141(3) 0.7419(6) 0.2054(3) 0.071(3) Uani 1 1 d .
H42 H 0.1962 0.6978 0.2101 0.086 Uiso 1 1 calc R
C43 C 0.1991(3) 0.8169(6) 0.2112(3) 0.075(3) Uani 1 1 d .
H43 H 0.1720 0.8255 0.2212 0.090 Uiso 1 1 calc R
C44 C 0.2255(3) 0.8802(5) 0.2018(3) 0.062(2) Uani 1 1 d .
H44 H 0.2156 0.9328 0.2044 0.074 Uiso 1 1 calc R
C45 C 0.2667(3) 0.8654(4) 0.1886(2) 0.0448(19) Uani 1 1 d .
C46 C 0.2982(3) 0.9273(5) 0.1798(2) 0.051(2) Uani 1 1 d .
H46 H 0.2900 0.9815 0.1792 0.061 Uiso 1 1 calc R
C47 C 0.4125(2) 0.9157(4) 0.1580(2) 0.0388(18) Uani 1 1 d .
C48 C 0.4497(3) 0.9566(4) 0.1480(2) 0.0448(19) Uani 1 1 d .
H48 H 0.4495 1.0124 0.1461 0.054 Uiso 1 1 calc R
C49 C 0.4879(3) 0.9120(4) 0.1409(2) 0.0422(19) Uani 1 1 d .
C50 C 0.4506(3) 0.7966(4) 0.1524(2) 0.0369(18) Uani 1 1 d .
C51 C 0.4495(2) 0.7069(4) 0.1499(3) 0.0427(19) Uani 1 1 d .
C52 C 0.4324(3) 0.6709(5) 0.1104(3) 0.067(3) Uani 1 1 d .
H52 H 0.4214 0.7021 0.0856 0.081 Uiso 1 1 calc R
C53 C 0.4317(5) 0.5896(8) 0.1075(6) 0.121(6) Uani 1 1 d .
H53 H 0.4196 0.5653 0.0807 0.145 Uiso 1 1 calc R
C54 C 0.4480(7) 0.5436(9) 0.1430(9) 0.175(13) Uani 1 1 d .
H54 H 0.4473 0.4879 0.1404 0.209 Uiso 1 1 calc R
C55 C 0.4656(4) 0.5780(8) 0.1825(6) 0.124(6) Uani 1 1 d .
H55 H 0.4767 0.5459 0.2069 0.148 Uiso 1 1 calc R
C56 C 0.4669(3) 0.6620(6) 0.1865(3) 0.072(3) Uani 1 1 d .
H56 H 0.4791 0.6863 0.2134 0.087 Uiso 1 1 calc R
C57 C 0.3680(3) 1.0428(4) 0.1643(3) 0.049(2) Uani 1 1 d .
H57A H 0.3990 1.0656 0.1790 0.058 Uiso 1 1 calc R
H57B H 0.3454 1.0578 0.1808 0.058 Uiso 1 1 calc R
C58 C 0.3516(3) 1.0800(5) 0.1200(3) 0.067(2) Uani 1 1 d .
H58A H 0.3605 1.1364 0.1225 0.080 Uiso 1 1 calc R
H58B H 0.3693 1.0549 0.1015 0.080 Uiso 1 1 calc R
C59 C 0.2993(3) 1.0744(5) 0.0976(3) 0.067(2) Uani 1 1 d .
H59 H 0.2810 1.0973 0.1167 0.080 Uiso 1 1 calc R
C60 C 0.2403(5) 1.0024(10) 0.0546(5) 0.169(7) Uani 1 1 d .
H60A H 0.2131 1.0117 0.0667 0.203 Uiso 1 1 calc R
H60B H 0.2342 0.9545 0.0368 0.203 Uiso 1 1 calc R
C61 C 0.2493(6) 1.0735(11) 0.0294(4) 0.157(6) Uani 1 1 d .
H61A H 0.2588 1.0565 0.0038 0.188 Uiso 1 1 calc R
H61B H 0.2206 1.1065 0.0203 0.188 Uiso 1 1 calc R
C62 C 0.3479(3) 0.7331(5) 0.4043(3) 0.060(2) Uani 1 1 d .
H62 H 0.3545 0.6788 0.4020 0.072 Uiso 1 1 calc R
C63 C 0.3056(3) 0.7556(6) 0.4158(3) 0.072(3) Uani 1 1 d .
H63 H 0.2854 0.7165 0.4222 0.087 Uiso 1 1 calc R
C64 C 0.2945(3) 0.8357(6) 0.4175(3) 0.081(3) Uani 1 1 d .
H64 H 0.2661 0.8518 0.4239 0.097 Uiso 1 1 calc R
C65 C 0.3263(3) 0.8918(5) 0.4093(3) 0.068(3) Uani 1 1 d .
H65 H 0.3199 0.9464 0.4107 0.082 Uiso 1 1 calc R
C66 C 0.3676(3) 0.8667(5) 0.3992(2) 0.051(2) Uani 1 1 d .
C67 C 0.4026(3) 0.9229(5) 0.3906(2) 0.049(2) Uani 1 1 d .
H67 H 0.3984 0.9779 0.3933 0.059 Uiso 1 1 calc R
C68 C 0.4684(3) 1.0355(4) 0.3747(3) 0.053(2) Uani 1 1 d .
H68A H 0.4348 1.0494 0.3622 0.064 Uiso 1 1 calc R
H68B H 0.4873 1.0627 0.3580 0.064 Uiso 1 1 calc R
C69 C 0.4837(3) 1.0653(5) 0.4210(3) 0.071(3) Uani 1 1 d .
H69A H 0.4705 1.1187 0.4221 0.086 Uiso 1 1 calc R
H69B H 0.4699 1.0303 0.4389 0.086 Uiso 1 1 calc R
C70 C 0.5372(4) 1.0689(9) 0.4400(3) 0.131(6) Uani 1 1 d .
H70 H 0.5539 1.0172 0.4414 0.158 Uiso 1 1 calc R
C71 C 0.5798(7) 1.1643(13) 0.4854(5) 0.203(10) Uani 1 1 d .
H71A H 0.6104 1.1405 0.5006 0.244 Uiso 1 1 calc R
H71B H 0.5736 1.2091 0.5026 0.244 Uiso 1 1 calc R
C72 C 0.5824(6) 1.1927(10) 0.4441(6) 0.177(7) Uani 1 1 d .
H72A H 0.6154 1.1941 0.4417 0.212 Uiso 1 1 calc R
H72B H 0.5679 1.2454 0.4376 0.212 Uiso 1 1 calc R
N1 N 0.3237(2) 0.7651(4) 0.0979(2) 0.0532(17) Uani 1 1 d .
N2 N 0.3458(2) 0.6598(4) 0.1638(2) 0.0468(16) Uani 1 1 d .
N3 N 0.3583(2) 0.6092(3) 0.1989(2) 0.0437(16) Uani 1 1 d .
N4 N 0.37723(19) 0.7264(3) 0.23981(18) 0.0378(14) Uani 1 1 d .
N5 N 0.41307(19) 0.7238(3) 0.31657(18) 0.0373(14) Uani 1 1 d .
N6 N 0.4304(2) 0.6032(3) 0.3539(2) 0.0508(17) Uani 1 1 d .
N7 N 0.4516(2) 0.6525(4) 0.3875(2) 0.0461(16) Uani 1 1 d .
N8 N 0.4929(2) 0.7645(4) 0.4398(2) 0.0467(16) Uani 1 1 d .
N11 N 0.2822(2) 0.7905(4) 0.18414(19) 0.0450(16) Uani 1 1 d .
N12 N 0.3377(2) 0.9038(3) 0.17291(17) 0.0394(15) Uani 1 1 d .
N13 N 0.3726(2) 0.9541(3) 0.16514(18) 0.0405(15) Uani 1 1 d .
N14 N 0.4119(2) 0.8337(3) 0.16051(17) 0.0371(14) Uani 1 1 d .
N15 N 0.5118(2) 0.8315(3) 0.35657(18) 0.0366(14) Uani 1 1 d .
N16 N 0.4741(2) 0.9483(3) 0.37083(19) 0.0427(15) Uani 1 1 d .
N17 N 0.4397(2) 0.8961(4) 0.37921(19) 0.0432(15) Uani 1 1 d .
N18 N 0.3788(2) 0.7879(4) 0.39663(19) 0.0489(16) Uani 1 1 d .
Cu1 Cu 0.34743(3) 0.78588(5) 0.17097(3) 0.0430(3) Uani 1 1 d .
Cu2 Cu 0.44773(3) 0.76998(5) 0.37797(3) 0.0433(3) Uani 1 1 d .
Cl1 Cl 0.5000 0.1206(3) 0.2500 0.1023(14) Uani 1 2 d S
Cl2 Cl 0.5000 0.3929(3) 0.2500 0.1199(16) Uani 1 2 d S
Cl3 Cl 0.23086(8) 1.12677(13) 0.19667(8) 0.0605(6) Uani 1 1 d .
Cl4 Cl 0.17139(10) 0.62856(15) 0.09554(9) 0.0795(8) Uani 1 1 d .
Cl5 Cl 0.40078(14) 0.5587(2) 0.50784(12) 0.1074(10) Uani 1 1 d .
O1 O 0.3166(3) 0.3931(5) 0.1344(3) 0.108(3) Uani 1 1 d .
O2 O 0.3473(3) 0.3567(5) 0.2050(3) 0.124(3) Uani 1 1 d .
O3 O 0.4035(3) 0.3616(5) 0.3290(3) 0.123(3) Uani 1 1 d .
O4 O 0.4484(3) 0.3642(6) 0.3990(3) 0.135(3) Uani 1 1 d .
O5 O 0.2843(3) 0.9959(4) 0.0880(2) 0.098(2) Uani 1 1 d .
O6 O 0.2875(3) 1.1169(5) 0.0584(3) 0.109(2) Uani 1 1 d .
O7 O 0.5538(3) 1.1298(6) 0.4165(3) 0.127(3) Uani 1 1 d .
O8 O 0.5457(3) 1.1112(7) 0.4812(3) 0.147(4) Uani 1 1 d .
O9 O 0.5000 0.0310(7) 0.2500 0.193(7) Uani 1 2 d S
O10 O 0.5357(10) 0.1569(12) 0.2383(13) 0.129(10) Uani 0.50 1 d P
O11 O 0.4917(16) 0.1362(12) 0.2048(8) 0.131(9) Uani 0.50 1 d P
O12 O 0.5441(11) 0.1478(18) 0.2710(19) 0.23(3) Uani 0.50 1 d P
O13 O 0.4622(3) 0.4427(4) 0.2596(3) 0.123(3) Uani 1 1 d .
O14 O 0.5211(5) 0.3474(10) 0.2864(5) 0.319(10) Uani 1 1 d .
O15 O 0.2790(2) 1.1423(5) 0.1971(3) 0.117(3) Uani 1 1 d .
O16 O 0.2053(3) 1.1972(4) 0.1977(2) 0.114(3) Uani 1 1 d .
O17 O 0.2318(3) 1.0814(4) 0.2349(2) 0.123(3) Uani 1 1 d .
O18 O 0.2093(2) 1.0804(4) 0.1589(2) 0.097(2) Uani 1 1 d .
O19 O 0.1401(5) 0.6231(9) 0.1218(5) 0.259(8) Uani 1 1 d .
O20 O 0.1481(4) 0.5845(5) 0.0589(3) 0.163(4) Uani 1 1 d .
O21 O 0.1788(4) 0.7082(5) 0.0882(3) 0.162(4) Uani 1 1 d .
O22 O 0.2095(4) 0.5955(6) 0.1204(5) 0.253(8) Uani 1 1 d .
O23 O 0.4480(4) 0.5329(7) 0.5187(4) 0.208(6) Uani 1 1 d .
O24 O 0.3887(5) 0.6055(10) 0.4736(4) 0.278(8) Uani 1 1 d .
O25 O 0.3731(5) 0.4952(10) 0.5031(6) 0.305(12) Uani 1 1 d .
O26 O 0.3914(10) 0.5882(12) 0.5411(6) 0.365(15) 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 0.0033 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'
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'
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
N1 C1 C2 124.6(9) . .
N1 C1 H1 117.7 . .
C2 C1 H1 117.7 . .
C3 C2 C1 119.0(9) . .
C3 C2 H2 120.5 . .
C1 C2 H2 120.5 . .
C2 C3 C4 118.3(9) . .
C2 C3 H3 120.8 . .
C4 C3 H3 120.8 . .
C5 C4 C3 118.2(9) . .
C5 C4 H4 120.9 . .
C3 C4 H4 120.9 . .
N1 C5 C4 122.9(8) . .
N1 C5 C6 116.1(7) . .
C4 C5 C6 120.7(8) . .
N2 C6 C5 119.0(7) . .
N2 C6 H6 120.5 . .
C5 C6 H6 120.5 . .
N4 C7 N3 116.4(6) . .
N4 C7 C8 121.0(6) . .
N3 C7 C8 122.5(7) . .
C9 C8 C7 116.9(7) . .
C9 C8 H8 121.6 . .
C7 C8 H8 121.6 . .
N5 C9 C8 123.2(6) . .
N5 C9 N6 116.2(6) . .
C8 C9 N6 120.5(7) . .
N4 C10 N5 125.9(6) . .
N4 C10 C11 116.7(6) . .
N5 C10 C11 117.1(6) . .
C16 C11 C12 119.3(7) . .
C16 C11 C10 117.8(7) . .
C12 C11 C10 122.8(7) . .
C11 C12 C13 119.8(8) . .
C11 C12 H12 120.1 . .
C13 C12 H12 120.1 . .
C14 C13 C12 117.7(9) . .
C14 C13 H13 121.2 . .
C12 C13 H13 121.2 . .
C15 C14 C13 121.6(9) . .
C15 C14 H14 119.2 . .
C13 C14 H14 119.2 . .
C16 C15 C14 121.0(10) . .
C16 C15 H15 119.5 . .
C14 C15 H15 119.5 . .
C15 C16 C11 120.6(9) . .
C15 C16 H16 119.7 . .
C11 C16 H16 119.7 . .
N7 C17 C18 115.7(7) . .
N7 C17 H17 122.1 . .
C18 C17 H17 122.1 . .
N8 C18 C19 122.5(8) . .
N8 C18 C17 114.1(7) . .
C19 C18 C17 122.8(8) . .
C18 C19 C20 116.9(9) . .
C18 C19 H19 121.5 . .
C20 C19 H19 121.5 . .
C21 C20 C19 121.2(9) . .
C21 C20 H20 119.4 . .
C19 C20 H20 119.4 . .
C20 C21 C22 117.2(9) . .
C20 C21 H21 121.4 . .
C22 C21 H21 121.4 . .
N8 C22 C21 124.0(8) . .
N8 C22 H22 118.0 . .
C21 C22 H22 118.0 . .
N3 C23 C24 113.2(6) . .
N3 C23 H23A 108.9 . .
C24 C23 H23A 108.9 . .
N3 C23 H23B 108.9 . .
C24 C23 H23B 108.9 . .
H23A C23 H23B 107.7 . .
C25 C24 C23 109.2(7) . .
C25 C24 H24A 109.8 . .
C23 C24 H24A 109.8 . .
C25 C24 H24B 109.8 . .
C23 C24 H24B 109.8 . .
H24A C24 H24B 108.3 . .
O2 C25 O1 105.9(9) . .
O2 C25 C24 111.1(9) . .
O1 C25 C24 107.6(8) . .
O2 C25 H25 110.7 . .
O1 C25 H25 110.7 . .
C24 C25 H25 110.7 . .
O1 C26 C27 108.1(15) . .
O1 C26 H26A 110.1 . .
C27 C26 H26A 110.1 . .
O1 C26 H26B 110.1 . .
C27 C26 H26B 110.1 . .
H26A C26 H26B 108.4 . .
O2 C27 C26 102.6(12) . .
O2 C27 H27A 111.2 . .
C26 C27 H27A 111.2 . .
O2 C27 H27B 111.2 . .
C26 C27 H27B 111.2 . .
H27A C27 H27B 109.2 . .
N6 C28 C29 111.7(7) . .
N6 C28 H28A 109.3 . .
C29 C28 H28A 109.3 . .
N6 C28 H28B 109.3 . .
C29 C28 H28B 109.3 . .
H28A C28 H28B 107.9 . .
C28 C29 C30 108.1(8) . .
C28 C29 H29A 110.1 . .
C30 C29 H29A 110.1 . .
C28 C29 H29B 110.1 . .
C30 C29 H29B 110.1 . .
H29A C29 H29B 108.4 . .
O4 C30 O3 109.3(10) . .
O4 C30 C29 110.9(9) . .
O3 C30 C29 107.7(9) . .
O4 C30 H30 109.7 . .
O3 C30 H30 109.7 . .
C29 C30 H30 109.7 . .
O3 C31 C32 99.7(16) . .
O3 C31 H31A 111.8 . .
C32 C31 H31A 111.8 . .
O3 C31 H31B 111.8 . .
C32 C31 H31B 111.8 . .
H31A C31 H31B 109.6 . .
O4 C32 C31 109.4(17) . .
O4 C32 H32A 109.8 . .
C31 C32 H32A 109.8 . .
O4 C32 H32B 109.8 . .
C31 C32 H32B 109.8 . .
H32A C32 H32B 108.2 . .
N11 C41 C42 123.3(8) . .
N11 C41 H41 118.3 . .
C42 C41 H41 118.3 . .
C43 C42 C41 120.1(9) . .
C43 C42 H42 120.0 . .
C41 C42 H42 120.0 . .
C42 C43 C44 117.7(9) . .
C42 C43 H43 121.2 . .
C44 C43 H43 121.2 . .
C43 C44 C45 119.8(8) . .
C43 C44 H44 120.1 . .
C45 C44 H44 120.1 . .
N11 C45 C44 122.2(7) . .
N11 C45 C46 113.4(7) . .
C44 C45 C46 124.3(7) . .
N12 C46 C45 116.6(7) . .
N12 C46 H46 121.7 . .
C45 C46 H46 121.7 . .
N14 C47 C48 121.8(7) . .
N14 C47 N13 115.4(6) . .
C48 C47 N13 122.7(7) . .
C47 C48 C49 118.0(7) . .
C47 C48 H48 121.0 . .
C49 C48 H48 121.0 . .
N15 C49 N16 117.3(7) 2_655 2_655
N15 C49 C48 121.1(7) 2_655 .
N16 C49 C48 121.6(7) 2_655 .
N15 C50 N14 126.9(6) 2_655 .
N15 C50 C51 115.6(6) 2_655 .
N14 C50 C51 117.3(6) . .
C56 C51 C52 120.8(8) . .
C56 C51 C50 120.3(7) . .
C52 C51 C50 118.9(7) . .
C53 C52 C51 119.7(11) . .
C53 C52 H52 120.2 . .
C51 C52 H52 120.2 . .
C54 C53 C52 121.0(16) . .
C54 C53 H53 119.5 . .
C52 C53 H53 119.5 . .
C53 C54 C55 120.3(15) . .
C53 C54 H54 119.9 . .
C55 C54 H54 119.9 . .
C54 C55 C56 120.2(15) . .
C54 C55 H55 119.9 . .
C56 C55 H55 119.9 . .
C51 C56 C55 118.1(11) . .
C51 C56 H56 121.0 . .
C55 C56 H56 121.0 . .
N13 C57 C58 115.6(6) . .
N13 C57 H57A 108.4 . .
C58 C57 H57A 108.4 . .
N13 C57 H57B 108.4 . .
C58 C57 H57B 108.4 . .
H57A C57 H57B 107.4 . .
C59 C58 C57 116.9(7) . .
C59 C58 H58A 108.1 . .
C57 C58 H58A 108.1 . .
C59 C58 H58B 108.1 . .
C57 C58 H58B 108.1 . .
H58A C58 H58B 107.3 . .
O5 C59 O6 106.8(7) . .
O5 C59 C58 112.4(7) . .
O6 C59 C58 111.9(8) . .
O5 C59 H59 108.5 . .
O6 C59 H59 108.5 . .
C58 C59 H59 108.5 . .
O5 C60 C61 102.5(13) . .
O5 C60 H60A 111.3 . .
C61 C60 H60A 111.3 . .
O5 C60 H60B 111.3 . .
C61 C60 H60B 111.3 . .
H60A C60 H60B 109.2 . .
O6 C61 C60 105.2(10) . .
O6 C61 H61A 110.7 . .
C60 C61 H61A 110.7 . .
O6 C61 H61B 110.7 . .
C60 C61 H61B 110.7 . .
H61A C61 H61B 108.8 . .
N18 C62 C63 121.8(8) . .
N18 C62 H62 119.1 . .
C63 C62 H62 119.1 . .
C64 C63 C62 119.4(8) . .
C64 C63 H63 120.3 . .
C62 C63 H63 120.3 . .
C63 C64 C65 118.4(9) . .
C63 C64 H64 120.8 . .
C65 C64 H64 120.8 . .
C66 C65 C64 119.8(8) . .
C66 C65 H65 120.1 . .
C64 C65 H65 120.1 . .
N18 C66 C65 122.7(7) . .
N18 C66 C67 115.0(7) . .
C65 C66 C67 122.3(8) . .
N17 C67 C66 119.7(7) . .
N17 C67 H67 120.2 . .
C66 C67 H67 120.2 . .
N16 C68 C69 113.4(7) . .
N16 C68 H68A 108.9 . .
C69 C68 H68A 108.9 . .
N16 C68 H68B 108.9 . .
C69 C68 H68B 108.9 . .
H68A C68 H68B 107.7 . .
C70 C69 C68 114.3(7) . .
C70 C69 H69A 108.7 . .
C68 C69 H69A 108.7 . .
C70 C69 H69B 108.7 . .
C68 C69 H69B 108.7 . .
H69A C69 H69B 107.6 . .
O7 C70 O8 97.7(9) . .
O7 C70 C69 105.5(11) . .
O8 C70 C69 107.1(10) . .
O7 C70 H70 114.9 . .
O8 C70 H70 114.9 . .
C69 C70 H70 114.9 . .
O8 C71 C72 110.6(12) . .
O8 C71 H71A 109.5 . .
C72 C71 H71A 109.5 . .
O8 C71 H71B 109.5 . .
C72 C71 H71B 109.5 . .
H71A C71 H71B 108.1 . .
C71 C72 O7 99.3(13) . .
C71 C72 H72A 111.9 . .
O7 C72 H72A 111.9 . .
C71 C72 H72B 111.9 . .
O7 C72 H72B 111.9 . .
H72A C72 H72B 109.6 . .
C1 N1 C5 116.9(7) . .
C1 N1 Cu1 130.5(6) . .
C5 N1 Cu1 111.5(5) . .
C6 N2 N3 121.0(6) . .
C6 N2 Cu1 116.9(5) . .
N3 N2 Cu1 121.8(4) . .
N2 N3 C7 116.6(6) . .
N2 N3 C23 120.6(6) . .
C7 N3 C23 122.3(6) . .
C10 N4 C7 117.1(6) . .
C10 N4 Cu1 129.1(5) . .
C7 N4 Cu1 113.8(5) . .
C9 N5 C10 115.3(6) . .
C9 N5 Cu2 113.7(5) . .
C10 N5 Cu2 130.9(5) . .
N7 N6 C9 113.9(6) . .
N7 N6 C28 120.5(6) . .
C9 N6 C28 124.1(7) . .
C17 N7 N6 124.1(7) . .
C17 N7 Cu2 117.2(6) . .
N6 N7 Cu2 118.6(4) . .
C22 N8 C18 118.1(7) . .
C22 N8 Cu2 128.6(6) . .
C18 N8 Cu2 112.8(5) . .
C41 N11 C45 116.9(7) . .
C41 N11 Cu1 128.7(5) . .
C45 N11 Cu1 114.1(5) . .
C46 N12 N13 124.7(6) . .
C46 N12 Cu1 116.6(5) . .
N13 N12 Cu1 118.7(4) . .
N12 N13 C47 115.1(6) . .
N12 N13 C57 122.9(6) . .
C47 N13 C57 122.0(6) . .
C50 N14 C47 114.9(6) . .
C50 N14 Cu1 130.9(4) . .
C47 N14 Cu1 113.9(5) . .
C50 N15 C49 117.2(6) 2_655 2_655
C50 N15 Cu2 128.2(5) 2_655 .
C49 N15 Cu2 114.1(5) 2_655 .
C49 N16 N17 115.5(6) 2_655 .
C49 N16 C68 124.6(6) 2_655 .
N17 N16 C68 119.9(6) . .
C67 N17 N16 121.2(6) . .
C67 N17 Cu2 116.7(5) . .
N16 N17 Cu2 122.0(4) . .
C62 N18 C66 117.8(7) . .
C62 N18 Cu2 129.5(6) . .
C66 N18 Cu2 112.7(5) . .
N12 Cu1 N11 79.1(2) . .
N12 Cu1 N2 170.7(2) . .
N11 Cu1 N2 93.7(2) . .
N12 Cu1 N14 76.8(2) . .
N11 Cu1 N14 155.8(2) . .
N2 Cu1 N14 110.5(2) . .
N12 Cu1 N1 100.1(2) . .
N11 Cu1 N1 100.0(2) . .
N2 Cu1 N1 75.3(2) . .
N14 Cu1 N1 86.2(2) . .
N12 Cu1 N4 113.9(2) . .
N11 Cu1 N4 87.2(2) . .
N2 Cu1 N4 71.1(2) . .
N14 Cu1 N4 100.7(2) . .
N1 Cu1 N4 146.0(2) . .
N7 Cu2 N8 79.2(3) . .
N7 Cu2 N5 77.0(2) . .
N8 Cu2 N5 154.7(2) . .
N7 Cu2 N17 168.9(3) . .
N8 Cu2 N17 94.1(2) . .
N5 Cu2 N17 110.7(2) . .
N7 Cu2 N18 96.3(2) . .
N8 Cu2 N18 97.5(2) . .
N5 Cu2 N18 93.5(2) . .
N17 Cu2 N18 75.7(2) . .
N7 Cu2 N15 117.1(2) . .
N8 Cu2 N15 87.3(2) . .
N5 Cu2 N15 95.9(2) . .
N17 Cu2 N15 70.9(2) . .
N18 Cu2 N15 146.5(2) . .
O10 Cl1 O10 126(2) 2_655 .
O10 Cl1 O12 113.9(14) 2_655 .
O10 Cl1 O12 45(2) . .
O10 Cl1 O12 45(2) 2_655 2_655
O10 Cl1 O12 113.9(14) . 2_655
O12 Cl1 O12 141(3) . 2_655
O10 Cl1 O11 105.5(13) 2_655 .
O10 Cl1 O11 64.4(11) . .
O12 Cl1 O11 109(2) . .
O12 Cl1 O11 63(2) 2_655 .
O10 Cl1 O11 64.4(11) 2_655 2_655
O10 Cl1 O11 105.5(13) . 2_655
O12 Cl1 O11 63(2) . 2_655
O12 Cl1 O11 109(2) 2_655 2_655
O11 Cl1 O11 159.0(17) . 2_655
O10 Cl1 O9 117.0(11) 2_655 .
O10 Cl1 O9 117.0(11) . .
O12 Cl1 O9 109.6(13) . .
O12 Cl1 O9 109.6(13) 2_655 .
O11 Cl1 O9 100.5(9) . .
O11 Cl1 O9 100.5(9) 2_655 .
O14 Cl2 O14 113.8(17) 2_655 .
O14 Cl2 O13 108.5(8) 2_655 2_655
O14 Cl2 O13 107.5(7) . 2_655
O14 Cl2 O13 107.5(7) 2_655 .
O14 Cl2 O13 108.5(8) . .
O13 Cl2 O13 111.0(7) 2_655 .
O16 Cl3 O15 111.8(5) . .
O16 Cl3 O17 108.4(5) . .
O15 Cl3 O17 107.0(5) . .
O16 Cl3 O18 111.1(4) . .
O15 Cl3 O18 108.4(4) . .
O17 Cl3 O18 110.1(5) . .
O22 Cl4 O21 111.7(7) . .
O22 Cl4 O19 100.4(11) . .
O21 Cl4 O19 108.8(8) . .
O22 Cl4 O20 115.7(7) . .
O21 Cl4 O20 115.3(5) . .
O19 Cl4 O20 103.2(8) . .
O26 Cl5 O25 98.8(13) . .
O26 Cl5 O24 113.7(12) . .
O25 Cl5 O24 111.4(10) . .
O26 Cl5 O23 108.8(13) . .
O25 Cl5 O23 107.8(9) . .
O24 Cl5 O23 115.0(8) . .
C26 O1 C25 106.0(12) . .
C25 O2 C27 107.0(11) . .
C30 O3 C31 106.5(14) . .
C30 O4 C32 103.7(14) . .
C59 O5 C60 104.9(9) . .
C59 O6 C61 106.7(9) . .
C70 O7 C72 113.9(10) . .
C71 O8 C70 111.3(10) . .
O12 O10 Cl1 69(2) . .
O12 O10 O11 130(3) . .
Cl1 O10 O11 61.0(10) . .
Cl1 O11 O12 55.8(13) . 2_655
Cl1 O11 O10 54.6(10) . .
O12 O11 O10 100(2) 2_655 .
O10 O12 Cl1 66.6(15) . .
O10 O12 O11 124(3) . 2_655
Cl1 O12 O11 60.9(18) . 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.327(10) .
C1 C2 1.401(12) .
C1 H1 0.9300 .
C2 C3 1.350(13) .
C2 H2 0.9300 .
C3 C4 1.419(13) .
C3 H3 0.9300 .
C4 C5 1.410(11) .
C4 H4 0.9300 .
C5 N1 1.337(10) .
C5 C6 1.458(11) .
C6 N2 1.292(9) .
C6 H6 0.9300 .
C7 N4 1.356(8) .
C7 N3 1.386(9) .
C7 C8 1.397(9) .
C8 C9 1.381(9) .
C8 H8 0.9300 .
C9 N5 1.347(8) .
C9 N6 1.385(9) .
C10 N4 1.333(8) .
C10 N5 1.357(8) .
C10 C11 1.480(9) .
C11 C16 1.390(10) .
C11 C12 1.390(10) .
C12 C13 1.413(11) .
C12 H12 0.9300 .
C13 C14 1.391(13) .
C13 H13 0.9300 .
C14 C15 1.351(13) .
C14 H14 0.9300 .
C15 C16 1.348(11) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 N7 1.287(9) .
C17 C18 1.457(11) .
C17 H17 0.9300 .
C18 N8 1.357(9) .
C18 C19 1.382(10) .
C19 C20 1.401(12) .
C19 H19 0.9300 .
C20 C21 1.364(12) .
C20 H20 0.9300 .
C21 C22 1.384(11) .
C21 H21 0.9300 .
C22 N8 1.321(9) .
C22 H22 0.9300 .
C23 N3 1.461(8) .
C23 C24 1.530(10) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.525(11) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 O2 1.380(12) .
C25 O1 1.472(11) .
C25 H25 0.9800 .
C26 O1 1.388(16) .
C26 C27 1.51(2) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 O2 1.439(17) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 N6 1.492(9) .
C28 C29 1.496(11) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.514(12) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 O4 1.390(11) .
C30 O3 1.392(12) .
C30 H30 0.9800 .
C31 O3 1.43(2) .
C31 C32 1.48(3) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 O4 1.43(2) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C41 N11 1.323(9) .
C41 C42 1.380(11) .
C41 H41 0.9300 .
C42 C43 1.347(12) .
C42 H42 0.9300 .
C43 C44 1.376(11) .
C43 H43 0.9300 .
C44 C45 1.383(10) .
C44 H44 0.9300 .
C45 N11 1.344(9) .
C45 C46 1.446(10) .
C46 N12 1.276(9) .
C46 H46 0.9300 .
C47 N14 1.367(8) .
C47 C48 1.377(9) .
C47 N13 1.383(8) .
C48 C49 1.391(9) .
C48 H48 0.9300 .
C49 N15 1.342(8) 2_655
C49 N16 1.386(9) 2_655
C50 N15 1.324(8) 2_655
C50 N14 1.354(8) .
C50 C51 1.494(9) .
C51 C56 1.366(10) .
C51 C52 1.366(10) .
C52 C53 1.356(14) .
C52 H52 0.9300 .
C53 C54 1.35(2) .
C53 H53 0.9300 .
C54 C55 1.35(2) .
C54 H54 0.9300 .
C55 C56 1.402(15) .
C55 H55 0.9300 .
C56 H56 0.9300 .
C57 N13 1.481(8) .
C57 C58 1.503(10) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C58 C59 1.488(11) .
C58 H58A 0.9700 .
C58 H58B 0.9700 .
C59 O5 1.384(10) .
C59 O6 1.401(10) .
C59 H59 0.9800 .
C60 O5 1.428(12) .
C60 C61 1.492(19) .
C60 H60A 0.9700 .
C60 H60B 0.9700 .
C61 O6 1.433(14) .
C61 H61A 0.9700 .
C61 H61B 0.9700 .
C62 N18 1.340(10) .
C62 C63 1.410(12) .
C62 H62 0.9300 .
C63 C64 1.376(12) .
C63 H63 0.9300 .
C64 C65 1.379(11) .
C64 H64 0.9300 .
C65 C66 1.375(11) .
C65 H65 0.9300 .
C66 N18 1.358(9) .
C66 C67 1.452(10) .
C67 N17 1.295(9) .
C67 H67 0.9300 .
C68 N16 1.467(8) .
C68 C69 1.513(10) .
C68 H68A 0.9700 .
C68 H68B 0.9700 .
C69 C70 1.500(13) .
C69 H69A 0.9700 .
C69 H69B 0.9700 .
C70 O7 1.415(13) .
C70 O8 1.455(12) .
C70 H70 0.9800 .
C71 O8 1.301(16) .
C71 C72 1.423(19) .
C71 H71A 0.9700 .
C71 H71B 0.9700 .
C72 O7 1.472(13) .
C72 H72A 0.9700 .
C72 H72B 0.9700 .
N1 Cu1 2.278(7) .
N2 N3 1.371(8) .
N2 Cu1 2.110(6) .
N4 Cu1 2.357(5) .
N5 Cu2 2.097(5) .
N6 N7 1.362(8) .
N7 Cu2 1.976(6) .
N8 Cu2 2.060(6) .
N11 Cu1 2.028(6) .
N12 N13 1.377(7) .
N12 Cu1 1.985(6) .
N14 Cu1 2.124(6) .
N15 C50 1.324(8) 2_655
N15 C49 1.342(8) 2_655
N15 Cu2 2.361(6) .
N16 C49 1.386(9) 2_655
N16 N17 1.395(7) .
N17 Cu2 2.111(6) .
N18 Cu2 2.236(6) .
Cl1 O10 1.327(16) 2_655
Cl1 O10 1.327(16) .
Cl1 O12 1.35(2) .
Cl1 O12 1.35(2) 2_655
Cl1 O11 1.42(2) .
Cl1 O11 1.42(2) 2_655
Cl1 O9 1.492(11) .
Cl2 O14 1.386(10) 2_655
Cl2 O14 1.386(10) .
Cl2 O13 1.462(7) 2_655
Cl2 O13 1.462(7) .
Cl3 O16 1.388(6) .
Cl3 O15 1.405(6) .
Cl3 O17 1.428(7) .
Cl3 O18 1.429(6) .
Cl4 O22 1.295(9) .
Cl4 O21 1.372(8) .
Cl4 O19 1.386(11) .
Cl4 O20 1.392(8) .
Cl5 O26 1.262(13) .
Cl5 O25 1.307(13) .
Cl5 O24 1.311(9) .
Cl5 O23 1.378(10) .
O10 O12 1.02(4) .
O10 O11 1.47(3) .
O11 O12 1.45(5) 2_655
O12 O11 1.45(5) 2_655
