#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:24:52 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179109 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/71/4307179.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_4307179
loop_
_publ_author_name
'A. K. Ghosh'
'D. Ghoshal'
'E. Zangrando'
'J. Ribas'
'N. Ray Chaudhuri'
_publ_section_title
;
Syntheses, Crystal Structures, and Magnetic Properties of Metal-Organic
Hybrid Materials of Cu(II): Effect of a Long Chain Dicarboxylate
Backbone, and Counteranion in Their Structural Diversity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3057
_journal_page_last               3071
_journal_paper_doi               10.1021/ic061720v
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         '(C64 H58 Cu4 N8 O12 2+), 2(Cl O4 1-) (H2 O)'
_chemical_formula_sum            'C66 H58 Cl2 Cu4 N8 O21'
_chemical_formula_weight         1624.26
_chemical_name_systematic
;
 catena-tetra-(copper(II)-(1,10phenanthroline)-
 -bis(mu2-adipato,O,O')-(mu4-adipato,O,O',O'',O''')
 diperchlorate hydrated
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                115.59(2)
_cell_angle_beta                 98.70(2)
_cell_angle_gamma                101.80(3)
_cell_formula_units_Z            2
_cell_length_a                   13.198(3)
_cell_length_b                   16.373(4)
_cell_length_c                   18.340(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3367.5(18)
_computing_cell_refinement       'Denzo (Otwinowski & Minor 1997)'
_computing_data_collection       'Nonius Xpress'
_computing_data_reduction
'Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep3/windows (Farrugia,1997)'
_computing_publication_material  'Wingx 1.70.00 (Farrugia, 1999)'
_computing_structure_refinement  'SHELX97 (Sheldrick, 1998)'
_computing_structure_solution    'SHELX97 (Sheldrick, 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.930
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'image plate dip1030'
_diffrn_measurement_method       'laser scanner'
_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  0.0546
_diffrn_reflns_av_sigmaI/netI    0.1031
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            34176
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    1.408
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1656
_refine_diff_density_max         0.573
_refine_diff_density_min         -0.339
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     910
_refine_ls_number_reflns         11067
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.913
_refine_ls_R_factor_all          0.1010
_refine_ls_R_factor_gt           0.0465
_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)+(0.0460P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1044
_refine_ls_wR_factor_ref         0.1188
_reflns_number_gt                5713
_reflns_number_total             11067
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061720vsi20060911_023753_8.cif
_cod_data_source_block           ind359complex8
_cod_original_cell_volume        3367.7(15)
_cod_database_code               4307179
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.05705(5) 0.29767(4) 0.78917(4) 0.05083(19) Uani 1 1 d . . .
Cu2 Cu -0.07819(5) 0.15544(4) 0.60269(4) 0.0518(2) Uani 1 1 d . . .
N1 N 0.2012(3) 0.3940(3) 0.8571(2) 0.0496(11) Uani 1 1 d . . .
N2 N 0.0052(4) 0.4099(3) 0.8481(3) 0.0520(11) Uani 1 1 d . . .
C1 C 0.3001(5) 0.3863(4) 0.8583(4) 0.0637(16) Uani 1 1 d . . .
H1 H 0.3075 0.3277 0.8237 0.076 Uiso 1 1 calc R . .
C2 C 0.3916(5) 0.4613(4) 0.9087(4) 0.0688(17) Uani 1 1 d . . .
H2 H 0.4590 0.4532 0.9066 0.083 Uiso 1 1 calc R . .
C3 C 0.3830(5) 0.5479(4) 0.9618(4) 0.0675(17) Uani 1 1 d . . .
H3 H 0.4446 0.5986 0.9963 0.081 Uiso 1 1 calc R . .
C4 C 0.2823(5) 0.5598(4) 0.9642(3) 0.0574(15) Uani 1 1 d . . .
C5 C 0.1925(5) 0.4810(4) 0.9092(3) 0.0517(14) Uani 1 1 d . . .
C6 C 0.0866(5) 0.4889(4) 0.9043(3) 0.0511(14) Uani 1 1 d . . .
C7 C 0.0737(5) 0.5770(4) 0.9553(4) 0.0610(16) Uani 1 1 d . . .
C8 C -0.0335(6) 0.5784(5) 0.9442(4) 0.079(2) Uani 1 1 d . . .
H8 H -0.0481 0.6345 0.9763 0.095 Uiso 1 1 calc R . .
C9 C -0.1159(6) 0.5008(5) 0.8883(4) 0.078(2) Uani 1 1 d . . .
H9 H -0.1861 0.5036 0.8818 0.093 Uiso 1 1 calc R . .
C10 C -0.0946(5) 0.4159(4) 0.8403(4) 0.0637(16) Uani 1 1 d . . .
H10 H -0.1516 0.3625 0.8021 0.076 Uiso 1 1 calc R . .
C47 C 0.2650(6) 0.6478(4) 1.0155(4) 0.0721(18) Uani 1 1 d . . .
H47 H 0.3234 0.7007 1.0523 0.087 Uiso 1 1 calc R . .
C48 C 0.1655(6) 0.6542(4) 1.0110(4) 0.077(2) Uani 1 1 d . . .
H48 H 0.1561 0.7118 1.0459 0.092 Uiso 1 1 calc R . .
N3 N -0.2027(4) 0.1943(3) 0.5666(3) 0.0549(12) Uani 1 1 d . . .
N4 N -0.1847(4) 0.0255(3) 0.5314(3) 0.0561(12) Uani 1 1 d . . .
C11 C -0.2104(5) 0.2807(4) 0.5901(4) 0.0713(18) Uani 1 1 d . . .
H11 H -0.1520 0.3326 0.6288 0.086 Uiso 1 1 calc R . .
C12 C -0.3030(6) 0.2973(5) 0.5588(4) 0.0786(19) Uani 1 1 d . . .
H12 H -0.3061 0.3590 0.5770 0.094 Uiso 1 1 calc R . .
C13 C -0.3886(6) 0.2220(5) 0.5016(4) 0.079(2) Uani 1 1 d . . .
H13 H -0.4498 0.2323 0.4791 0.095 Uiso 1 1 calc R . .
C14 C -0.3848(5) 0.1293(5) 0.4765(4) 0.0660(17) Uani 1 1 d . . .
C15 C -0.2900(5) 0.1191(4) 0.5121(3) 0.0547(14) Uani 1 1 d . . .
C16 C -0.2796(5) 0.0284(4) 0.4938(3) 0.0544(15) Uani 1 1 d . . .
C17 C -0.3669(5) -0.0535(4) 0.4395(4) 0.0700(18) Uani 1 1 d . . .
C18 C -0.3525(6) -0.1412(5) 0.4275(4) 0.088(2) Uani 1 1 d . . .
H18 H -0.4082 -0.1974 0.3936 0.105 Uiso 1 1 calc R . .
C19 C -0.2581(6) -0.1431(5) 0.4651(4) 0.084(2) Uani 1 1 d . . .
H19 H -0.2481 -0.2007 0.4572 0.101 Uiso 1 1 calc R . .
C20 C -0.1740(5) -0.0576(4) 0.5167(4) 0.0711(18) Uani 1 1 d . . .
H20 H -0.1086 -0.0603 0.5412 0.085 Uiso 1 1 calc R . .
C49 C -0.4710(5) 0.0438(5) 0.4186(4) 0.082(2) Uani 1 1 d . . .
H49 H -0.5341 0.0490 0.3930 0.098 Uiso 1 1 calc R . .
C50 C -0.4632(5) -0.0427(5) 0.4005(4) 0.085(2) Uani 1 1 d . . .
H50 H -0.5203 -0.0963 0.3625 0.102 Uiso 1 1 calc R . .
Cu3 Cu 0.55191(6) -0.14477(4) 0.89280(4) 0.0556(2) Uani 1 1 d . . .
Cu4 Cu 0.44393(5) -0.25878(4) 0.70037(4) 0.0541(2) Uani 1 1 d . . .
N5 N 0.6799(4) -0.0316(3) 0.9684(3) 0.0553(12) Uani 1 1 d . . .
N6 N 0.6414(4) -0.2099(3) 0.9346(3) 0.0605(13) Uani 1 1 d . . .
C21 C 0.6970(5) 0.0586(4) 0.9854(4) 0.0707(18) Uani 1 1 d . . .
H21 H 0.6418 0.0756 0.9634 0.085 Uiso 1 1 calc R . .
C22 C 0.7946(6) 0.1281(5) 1.0352(4) 0.091(2) Uani 1 1 d . . .
H22 H 0.8047 0.1902 1.0446 0.109 Uiso 1 1 calc R . .
C23 C 0.8750(7) 0.1051(6) 1.0699(5) 0.112(3) Uani 1 1 d . . .
H23 H 0.9403 0.1512 1.1036 0.135 Uiso 1 1 calc R . .
C24 C 0.8588(6) 0.0115(6) 1.0544(4) 0.088(2) Uani 1 1 d . . .
C25 C 0.7607(5) -0.0537(4) 1.0033(3) 0.0592(16) Uani 1 1 d . . .
C26 C 0.7382(5) -0.1496(4) 0.9863(4) 0.0611(16) Uani 1 1 d . . .
C27 C 0.8158(6) -0.1770(6) 1.0247(4) 0.085(2) Uani 1 1 d . . .
C28 C 0.7858(7) -0.2717(7) 1.0070(5) 0.101(3) Uani 1 1 d . . .
H28 H 0.8331 -0.2932 1.0320 0.121 Uiso 1 1 calc R . .
C29 C 0.6880(7) -0.3339(6) 0.9537(5) 0.097(3) Uani 1 1 d . . .
H29 H 0.6691 -0.3971 0.9421 0.116 Uiso 1 1 calc R . .
C30 C 0.6169(6) -0.3005(5) 0.9171(4) 0.083(2) Uani 1 1 d . . .
H30 H 0.5511 -0.3425 0.8798 0.100 Uiso 1 1 calc R . .
C57 C 0.9363(7) -0.0186(7) 1.0906(5) 0.118(3) Uani 1 1 d . . .
H57 H 1.0029 0.0251 1.1244 0.142 Uiso 1 1 calc R . .
C58 C 0.9165(7) -0.1073(8) 1.0778(5) 0.116(3) Uani 1 1 d . . .
H58 H 0.9686 -0.1242 1.1035 0.140 Uiso 1 1 calc R . .
N7 N 0.4768(4) -0.3829(3) 0.6521(3) 0.0566(12) Uani 1 1 d . . .
N8 N 0.3027(4) -0.3388(3) 0.6133(3) 0.0581(12) Uani 1 1 d . . .
C31 C 0.5634(5) -0.4030(4) 0.6776(4) 0.0673(17) Uani 1 1 d . . .
H31 H 0.6202 -0.3542 0.7215 0.081 Uiso 1 1 calc R . .
C32 C 0.5723(6) -0.4938(5) 0.6413(5) 0.087(2) Uani 1 1 d . . .
H32 H 0.6328 -0.5061 0.6622 0.105 Uiso 1 1 calc R . .
C33 C 0.4918(7) -0.5652(5) 0.5747(5) 0.088(2) Uani 1 1 d . . .
H33 H 0.4983 -0.6262 0.5495 0.106 Uiso 1 1 calc R . .
C34 C 0.4000(6) -0.5483(4) 0.5440(4) 0.0698(18) Uani 1 1 d . . .
C35 C 0.3957(5) -0.4534(4) 0.5868(4) 0.0572(15) Uani 1 1 d . . .
C36 C 0.3027(5) -0.4297(4) 0.5653(3) 0.0569(15) Uani 1 1 d . . .
C37 C 0.2153(5) -0.4990(4) 0.4973(4) 0.0677(17) Uani 1 1 d . . .
C38 C 0.1261(6) -0.4699(5) 0.4815(4) 0.084(2) Uani 1 1 d . . .
H38 H 0.0662 -0.5130 0.4372 0.101 Uiso 1 1 calc R . .
C39 C 0.1248(5) -0.3792(5) 0.5298(4) 0.086(2) Uani 1 1 d . . .
H39 H 0.0649 -0.3606 0.5185 0.103 Uiso 1 1 calc R . .
C40 C 0.2162(5) -0.3140(5) 0.5974(4) 0.0726(18) Uani 1 1 d . . .
H40 H 0.2152 -0.2526 0.6312 0.087 Uiso 1 1 calc R . .
C59 C 0.3093(7) -0.6155(5) 0.4759(4) 0.084(2) Uani 1 1 d . . .
H59 H 0.3103 -0.6778 0.4464 0.101 Uiso 1 1 calc R . .
C60 C 0.2236(6) -0.5932(5) 0.4528(4) 0.084(2) Uani 1 1 d . . .
H60 H 0.1674 -0.6396 0.4067 0.101 Uiso 1 1 calc R . .
O1 O 0.1245(3) 0.1966(2) 0.7573(2) 0.0601(10) Uani 1 1 d . . .
O2 O 0.0280(3) 0.0967(2) 0.6234(2) 0.0589(10) Uani 1 1 d . . .
O3 O 0.4756(3) -0.0638(3) 0.8725(2) 0.0675(11) Uani 1 1 d . . .
O4 O 0.3983(3) -0.1448(3) 0.7326(2) 0.0663(11) Uani 1 1 d . . .
C41 C 0.0977(4) 0.1191(4) 0.6887(4) 0.0528(14) Uani 1 1 d . . .
C42 C 0.1518(5) 0.0457(4) 0.6865(4) 0.084(2) Uani 1 1 d . . .
H42A H 0.0979 -0.0067 0.6835 0.100 Uiso 1 1 calc R . .
H42B H 0.1723 0.0214 0.6344 0.100 Uiso 1 1 calc R . .
C43 C 0.2467(5) 0.0712(4) 0.7544(4) 0.0697(18) Uani 1 1 d . . .
H43A H 0.2287 0.0975 0.8075 0.084 Uiso 1 1 calc R . .
H43B H 0.3037 0.1204 0.7559 0.084 Uiso 1 1 calc R . .
C44 C 0.2879(5) -0.0111(4) 0.7453(4) 0.0689(18) Uani 1 1 d . . .
H44A H 0.2294 -0.0608 0.7413 0.083 Uiso 1 1 calc R . .
H44B H 0.3068 -0.0359 0.6924 0.083 Uiso 1 1 calc R . .
C45 C 0.3797(6) 0.0077(5) 0.8111(4) 0.103(3) Uani 1 1 d . . .
H45A H 0.3614 0.0347 0.8640 0.124 Uiso 1 1 calc R . .
H45B H 0.4386 0.0562 0.8137 0.124 Uiso 1 1 calc R . .
C46 C 0.4210(5) -0.0746(4) 0.8050(4) 0.0657(17) Uani 1 1 d . . .
O5 O -0.0898(3) 0.2115(2) 0.7363(2) 0.0516(9) Uani 1 1 d . . .
O6 O -0.0701(3) 0.2032(3) 0.8543(2) 0.0609(10) Uani 1 1 d . . .
O7 O -0.3996(3) -0.1963(3) 0.6417(3) 0.0685(11) Uani 1 1 d . . .
O8 O -0.4062(3) -0.1887(2) 0.7639(2) 0.0556(10) Uani 1 1 d . . .
C51 C -0.1247(4) 0.1807(4) 0.7848(4) 0.0498(14) Uani 1 1 d . . .
C52 C -0.2411(4) 0.1204(4) 0.7517(4) 0.0655(17) Uani 1 1 d . . .
H52A H -0.2856 0.1610 0.7726 0.079 Uiso 1 1 calc R . .
H52B H -0.2618 0.0914 0.6909 0.079 Uiso 1 1 calc R . .
C53 C -0.2626(5) 0.0431(4) 0.7766(4) 0.0647(16) Uani 1 1 d . . .
H53A H -0.3397 0.0135 0.7609 0.078 Uiso 1 1 calc R . .
H53B H -0.2366 0.0715 0.8372 0.078 Uiso 1 1 calc R . .
C54 C -0.2095(5) -0.0326(4) 0.7358(4) 0.0702(17) Uani 1 1 d . . .
H54A H -0.2307 -0.0569 0.6755 0.084 Uiso 1 1 calc R . .
H54B H -0.1321 -0.0038 0.7554 0.084 Uiso 1 1 calc R . .
C55 C -0.2377(5) -0.1139(4) 0.7539(4) 0.0702(17) Uani 1 1 d . . .
H55A H -0.2195 -0.0898 0.8143 0.084 Uiso 1 1 calc R . .
H55B H -0.1954 -0.1560 0.7312 0.084 Uiso 1 1 calc R . .
C56 C -0.3554(5) -0.1695(4) 0.7168(4) 0.0541(15) Uani 1 1 d . . .
O9 O 0.0259(3) 0.2825(2) 0.6554(2) 0.0528(9) Uani 1 1 d . . .
O10 O 0.0485(4) 0.2438(3) 0.5298(3) 0.0861(14) Uani 1 1 d . . .
O11 O 0.4313(3) 0.7408(2) 0.8222(2) 0.0590(10) Uani 1 1 d . . .
O12 O 0.3874(3) 0.7677(3) 0.9393(3) 0.0775(13) Uani 1 1 d . . .
C61 C 0.0765(5) 0.2973(4) 0.6064(4) 0.0560(15) Uani 1 1 d . . .
C62 C 0.1778(5) 0.3807(4) 0.6473(4) 0.0661(17) Uani 1 1 d . . .
H62A H 0.2082 0.3850 0.6037 0.079 Uiso 1 1 calc R . .
H62B H 0.2295 0.3686 0.6819 0.079 Uiso 1 1 calc R . .
C63 C 0.1621(4) 0.4767(4) 0.7019(3) 0.0592(15) Uani 1 1 d . . .
H63A H 0.1234 0.4962 0.6661 0.071 Uiso 1 1 calc R . .
H63B H 0.1192 0.4700 0.7386 0.071 Uiso 1 1 calc R . .
C64 C 0.2690(5) 0.5526(4) 0.7545(3) 0.0615(16) Uani 1 1 d . . .
H64A H 0.3119 0.5586 0.7176 0.074 Uiso 1 1 calc R . .
H64B H 0.3075 0.5327 0.7901 0.074 Uiso 1 1 calc R . .
C65 C 0.2567(5) 0.6491(4) 0.8094(4) 0.0640(16) Uani 1 1 d . . .
H65A H 0.2189 0.6694 0.7738 0.077 Uiso 1 1 calc R . .
H65B H 0.2133 0.6431 0.8461 0.077 Uiso 1 1 calc R . .
C66 C 0.3640(5) 0.7246(4) 0.8626(4) 0.0596(16) Uani 1 1 d . . .
Cl1 Cl 0.56527(17) 0.33783(15) 0.77440(12) 0.0920(6) Uani 1 1 d D . .
O13 O 0.6184(4) 0.4221(4) 0.8487(3) 0.130(2) Uani 1 1 d D . .
O14 O 0.6305(6) 0.2954(5) 0.7326(5) 0.206(4) Uani 1 1 d D . .
O15 O 0.4984(6) 0.2765(5) 0.7923(4) 0.182(3) Uani 1 1 d D . .
O16 O 0.4958(7) 0.3549(5) 0.7250(4) 0.197(3) Uani 1 1 d D . .
Cl2 Cl 0.9167(3) 0.64857(19) 0.76539(16) 0.1304(9) Uani 1 1 d D . .
O17 O 0.9838(7) 0.6741(5) 0.8405(4) 0.199(3) Uani 1 1 d D . .
O18 O 0.9806(8) 0.6793(7) 0.7217(5) 0.242(4) Uani 1 1 d D . .
O19 O 0.8499(9) 0.6973(8) 0.7719(7) 0.306(6) Uani 1 1 d D . .
O20 O 0.8662(7) 0.5552(5) 0.7163(5) 0.198(3) Uani 1 1 d D . .
O1W O -0.0062(8) 0.1810(5) 0.3495(5) 0.224(4) 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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
O1 Cu1 O5 94.71(15) . . ?
O1 Cu1 N1 89.97(16) . . ?
O5 Cu1 N1 172.42(15) . . ?
O1 Cu1 N2 167.22(17) . . ?
O5 Cu1 N2 92.04(17) . . ?
N1 Cu1 N2 82.27(18) . . ?
O1 Cu1 O9 91.74(14) . . ?
O5 Cu1 O9 78.16(14) . . ?
N1 Cu1 O9 107.70(15) . . ?
N2 Cu1 O9 100.27(15) . . ?
O2 Cu2 O9 93.92(15) . . ?
O2 Cu2 N3 170.44(17) . . ?
O9 Cu2 N3 95.07(17) . . ?
O2 Cu2 N4 88.84(17) . . ?
O9 Cu2 N4 170.87(17) . . ?
N3 Cu2 N4 81.78(19) . . ?
O2 Cu2 O5 91.34(14) . . ?
O9 Cu2 O5 79.53(14) . . ?
N3 Cu2 O5 93.49(15) . . ?
N4 Cu2 O5 109.13(16) . . ?
C1 N1 C5 117.4(5) . . ?
C1 N1 Cu1 130.6(4) . . ?
C5 N1 Cu1 112.0(3) . . ?
C10 N2 C6 117.8(5) . . ?
C10 N2 Cu1 129.6(4) . . ?
C6 N2 Cu1 112.6(3) . . ?
N1 C1 C2 122.9(5) . . ?
C3 C2 C1 119.8(6) . . ?
C2 C3 C4 119.9(6) . . ?
C3 C4 C5 117.2(5) . . ?
C3 C4 C47 124.1(6) . . ?
C5 C4 C47 118.6(6) . . ?
N1 C5 C4 122.8(5) . . ?
N1 C5 C6 116.5(5) . . ?
C4 C5 C6 120.7(5) . . ?
N2 C6 C7 124.8(5) . . ?
N2 C6 C5 116.5(4) . . ?
C7 C6 C5 118.6(5) . . ?
C6 C7 C8 114.5(6) . . ?
C6 C7 C48 119.3(6) . . ?
C8 C7 C48 126.3(6) . . ?
C9 C8 C7 121.8(6) . . ?
C8 C9 C10 119.4(6) . . ?
N2 C10 C9 121.7(6) . . ?
C48 C47 C4 120.2(6) . . ?
C47 C48 C7 122.6(6) . . ?
C11 N3 C15 118.2(5) . . ?
C11 N3 Cu2 128.7(4) . . ?
C15 N3 Cu2 113.1(3) . . ?
C20 N4 C16 118.2(5) . . ?
C20 N4 Cu2 129.5(4) . . ?
C16 N4 Cu2 112.2(4) . . ?
N3 C11 C12 122.4(6) . . ?
C13 C12 C11 119.3(6) . . ?
C12 C13 C14 120.2(6) . . ?
C15 C14 C13 116.8(6) . . ?
C15 C14 C49 117.6(6) . . ?
C13 C14 C49 125.5(6) . . ?
N3 C15 C14 123.0(5) . . ?
N3 C15 C16 115.6(5) . . ?
C14 C15 C16 121.3(6) . . ?
N4 C16 C17 123.3(5) . . ?
N4 C16 C15 117.2(5) . . ?
C17 C16 C15 119.6(6) . . ?
C16 C17 C18 116.4(6) . . ?
C16 C17 C50 118.8(6) . . ?
C18 C17 C50 124.8(6) . . ?
C19 C18 C17 119.8(6) . . ?
C18 C19 C20 119.8(6) . . ?
N4 C20 C19 122.5(6) . . ?
C50 C49 C14 122.1(6) . . ?
C49 C50 C17 120.5(6) . . ?
O3 Cu3 O11 93.06(16) . 1_545 ?
O3 Cu3 N5 90.41(18) . . ?
O11 Cu3 N5 176.41(17) 1_545 . ?
O3 Cu3 N6 169.99(18) . . ?
O11 Cu3 N6 94.79(19) 1_545 . ?
N5 Cu3 N6 81.7(2) . . ?
O3 Cu3 O8 90.24(15) . 1_655 ?
O11 Cu3 O8 80.78(15) 1_545 1_655 ?
N5 Cu3 O8 100.14(16) . 1_655 ?
N6 Cu3 O8 97.14(15) . 1_655 ?
O8 Cu4 O4 94.19(15) 1_655 . ?
O8 Cu4 N7 91.96(17) 1_655 . ?
O4 Cu4 N7 172.27(18) . . ?
O8 Cu4 N8 167.52(17) 1_655 . ?
O4 Cu4 N8 91.10(17) . . ?
N7 Cu4 N8 81.96(19) . . ?
O8 Cu4 O11 82.68(15) 1_655 1_545 ?
O4 Cu4 O11 91.47(15) . 1_545 ?
N7 Cu4 O11 93.96(16) . 1_545 ?
N8 Cu4 O11 108.50(16) . 1_545 ?
C21 N5 C25 117.4(5) . . ?
C21 N5 Cu3 129.5(4) . . ?
C25 N5 Cu3 113.0(4) . . ?
C30 N6 C26 119.3(5) . . ?
C30 N6 Cu3 128.7(5) . . ?
C26 N6 Cu3 111.9(4) . . ?
N5 C21 C22 122.2(6) . . ?
C23 C22 C21 119.7(7) . . ?
C22 C23 C24 119.4(7) . . ?
C25 C24 C23 117.6(7) . . ?
C25 C24 C57 118.9(8) . . ?
C23 C24 C57 123.5(8) . . ?
N5 C25 C24 123.7(6) . . ?
N5 C25 C26 115.8(5) . . ?
C24 C25 C26 120.5(6) . . ?
N6 C26 C27 123.3(6) . . ?
N6 C26 C25 117.3(5) . . ?
C27 C26 C25 119.3(7) . . ?
C28 C27 C26 115.7(7) . . ?
C28 C27 C58 125.7(8) . . ?
C26 C27 C58 118.6(7) . . ?
C29 C28 C27 121.4(7) . . ?
C28 C29 C30 118.7(7) . . ?
N6 C30 C29 121.5(7) . . ?
C58 C57 C24 122.0(8) . . ?
C57 C58 C27 120.6(8) . . ?
C31 N7 C35 118.8(5) . . ?
C31 N7 Cu4 128.6(4) . . ?
C35 N7 Cu4 112.5(4) . . ?
C40 N8 C36 119.2(5) . . ?
C40 N8 Cu4 128.9(4) . . ?
C36 N8 Cu4 111.8(4) . . ?
N7 C31 C32 122.3(6) . . ?
C33 C32 C31 119.5(7) . . ?
C32 C33 C34 120.8(6) . . ?
C33 C34 C59 127.2(6) . . ?
C33 C34 C35 116.1(6) . . ?
C59 C34 C35 116.7(7) . . ?
N7 C35 C36 116.6(5) . . ?
N7 C35 C34 122.4(6) . . ?
C36 C35 C34 120.9(6) . . ?
N8 C36 C37 123.2(6) . . ?
N8 C36 C35 117.0(5) . . ?
C37 C36 C35 119.8(6) . . ?
C38 C37 C36 115.9(6) . . ?
C38 C37 C60 125.9(7) . . ?
C36 C37 C60 118.1(6) . . ?
C39 C38 C37 121.3(6) . . ?
C38 C39 C40 119.0(7) . . ?
N8 C40 C39 121.3(6) . . ?
C60 C59 C34 122.9(7) . . ?
C59 C60 C37 121.4(7) . . ?
C41 O1 Cu1 128.7(3) . . ?
C41 O2 Cu2 131.4(3) . . ?
C46 O3 Cu3 129.9(4) . . ?
C46 O4 Cu4 127.6(4) . . ?
O2 C41 O1 126.0(5) . . ?
O2 C41 C42 116.6(5) . . ?
O1 C41 C42 117.3(5) . . ?
C43 C42 C41 120.2(5) . . ?
C42 C43 C44 113.8(5) . . ?
C45 C44 C43 117.2(5) . . ?
C44 C45 C46 118.4(5) . . ?
O3 C46 O4 127.7(5) . . ?
O3 C46 C45 115.9(5) . . ?
O4 C46 C45 116.4(5) . . ?
C51 O5 Cu1 111.7(3) . . ?
C51 O5 Cu2 139.7(3) . . ?
Cu1 O5 Cu2 96.25(15) . . ?
C56 O8 Cu4 109.0(4) . 1_455 ?
C56 O8 Cu3 151.2(4) . 1_455 ?
Cu4 O8 Cu3 92.25(15) 1_455 1_455 ?
O6 C51 O5 122.7(5) . . ?
O6 C51 C52 122.2(6) . . ?
O5 C51 C52 115.0(5) . . ?
C53 C52 C51 113.1(5) . . ?
C52 C53 C54 112.9(5) . . ?
C55 C54 C53 113.6(5) . . ?
C54 C55 C56 112.2(5) . . ?
O7 C56 O8 122.2(5) . . ?
O7 C56 C55 119.9(6) . . ?
O8 C56 C55 117.9(6) . . ?
C61 O9 Cu2 113.6(3) . . ?
C61 O9 Cu1 140.5(4) . . ?
Cu2 O9 Cu1 94.18(15) . . ?
C66 O11 Cu3 112.9(4) . 1_565 ?
C66 O11 Cu4 143.7(4) . 1_565 ?
Cu3 O11 Cu4 94.82(16) 1_565 1_565 ?
O10 C61 O9 122.3(6) . . ?
O10 C61 C62 121.1(6) . . ?
O9 C61 C62 116.4(5) . . ?
C61 C62 C63 114.8(5) . . ?
C64 C63 C62 111.4(5) . . ?
C63 C64 C65 112.9(5) . . ?
C66 C65 C64 112.7(5) . . ?
O12 C66 O11 121.0(6) . . ?
O12 C66 C65 122.7(6) . . ?
O11 C66 C65 116.3(5) . . ?
O14 Cl1 O16 110.6(6) . . ?
O14 Cl1 O15 110.4(5) . . ?
O16 Cl1 O15 102.9(5) . . ?
O14 Cl1 O13 114.4(4) . . ?
O16 Cl1 O13 109.0(4) . . ?
O15 Cl1 O13 108.8(4) . . ?
O19 Cl2 O20 111.1(7) . . ?
O19 Cl2 O17 112.9(7) . . ?
O20 Cl2 O17 116.2(5) . . ?
O19 Cl2 O18 101.3(8) . . ?
O20 Cl2 O18 107.8(6) . . ?
O17 Cl2 O18 106.2(6) . . ?
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 O1 1.948(3) . ?
Cu1 O5 1.954(4) . ?
Cu1 N1 2.005(4) . ?
Cu1 N2 2.008(4) . ?
Cu1 O9 2.319(4) . ?
Cu2 O2 1.934(3) . ?
Cu2 O9 1.960(4) . ?
Cu2 N3 2.001(4) . ?
Cu2 N4 2.008(5) . ?
Cu2 O5 2.259(4) . ?
N1 C1 1.333(6) . ?
N1 C5 1.372(6) . ?
N2 C10 1.333(6) . ?
N2 C6 1.355(6) . ?
C1 C2 1.377(8) . ?
C2 C3 1.370(7) . ?
C3 C4 1.386(7) . ?
C4 C5 1.405(7) . ?
C4 C47 1.429(7) . ?
C5 C6 1.423(7) . ?
C6 C7 1.402(7) . ?
C7 C8 1.405(8) . ?
C7 C48 1.412(8) . ?
C8 C9 1.350(9) . ?
C9 C10 1.400(7) . ?
C47 C48 1.332(8) . ?
N3 C11 1.321(6) . ?
N3 C15 1.360(7) . ?
N4 C20 1.309(6) . ?
N4 C16 1.356(6) . ?
C11 C12 1.398(8) . ?
C12 C13 1.360(8) . ?
C13 C14 1.397(8) . ?
C14 C15 1.397(7) . ?
C14 C49 1.443(8) . ?
C15 C16 1.417(7) . ?
C16 C17 1.409(8) . ?
C17 C18 1.413(8) . ?
C17 C50 1.443(8) . ?
C18 C19 1.344(8) . ?
C19 C20 1.410(8) . ?
C49 C50 1.339(9) . ?
Cu3 O3 1.942(4) . ?
Cu3 O11 1.945(4) 1_545 ?
Cu3 N5 2.000(5) . ?
Cu3 N6 2.017(5) . ?
Cu3 O8 2.346(4) 1_655 ?
Cu4 O8 1.951(4) 1_655 ?
Cu4 O4 1.952(3) . ?
Cu4 N7 2.007(4) . ?
Cu4 N8 2.008(5) . ?
Cu4 O11 2.269(4) 1_545 ?
N5 C21 1.331(7) . ?
N5 C25 1.353(6) . ?
N6 C30 1.329(7) . ?
N6 C26 1.347(7) . ?
C21 C22 1.392(9) . ?
C22 C23 1.356(10) . ?
C23 C24 1.396(10) . ?
C24 C25 1.377(8) . ?
C24 C57 1.419(10) . ?
C25 C26 1.417(8) . ?
C26 C27 1.410(8) . ?
C27 C28 1.394(10) . ?
C27 C58 1.430(10) . ?
C28 C29 1.371(10) . ?
C29 C30 1.404(9) . ?
C57 C58 1.327(11) . ?
N7 C31 1.326(7) . ?
N7 C35 1.351(7) . ?
N8 C40 1.321(7) . ?
N8 C36 1.363(6) . ?
C31 C32 1.381(7) . ?
C32 C33 1.362(9) . ?
C33 C34 1.388(9) . ?
C34 C59 1.423(9) . ?
C34 C35 1.425(7) . ?
C35 C36 1.411(7) . ?
C36 C37 1.408(8) . ?
C37 C38 1.394(8) . ?
C37 C60 1.437(8) . ?
C38 C39 1.366(8) . ?
C39 C40 1.418(8) . ?
C59 C60 1.322(9) . ?
O1 C41 1.274(6) . ?
O2 C41 1.251(6) . ?
O3 C46 1.253(6) . ?
O4 C46 1.263(6) . ?
C41 C42 1.507(7) . ?
C42 C43 1.468(7) . ?
C43 C44 1.508(7) . ?
C44 C45 1.450(8) . ?
C45 C46 1.522(7) . ?
O5 C51 1.293(6) . ?
O6 C51 1.220(6) . ?
O7 C56 1.250(6) . ?
O8 C56 1.270(6) . ?
O8 Cu4 1.951(4) 1_455 ?
O8 Cu3 2.346(4) 1_455 ?
C51 C52 1.511(7) . ?
C52 C53 1.511(7) . ?
C53 C54 1.517(7) . ?
C54 C55 1.496(8) . ?
C55 C56 1.507(8) . ?
O9 C61 1.271(6) . ?
O10 C61 1.234(6) . ?
O11 C66 1.296(6) . ?
O11 Cu3 1.945(4) 1_565 ?
O11 Cu4 2.269(4) 1_565 ?
O12 C66 1.223(6) . ?
C61 C62 1.510(7) . ?
C62 C63 1.534(7) . ?
C63 C64 1.517(7) . ?
C64 C65 1.523(7) . ?
C65 C66 1.519(8) . ?
Cl1 O14 1.340(6) . ?
Cl1 O16 1.347(6) . ?
Cl1 O15 1.380(6) . ?
Cl1 O13 1.394(5) . ?
Cl2 O19 1.291(8) . ?
Cl2 O20 1.343(7) . ?
Cl2 O17 1.356(6) . ?
Cl2 O18 1.410(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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Cu1 N1 C1 13.7(5) . . . . ?
O5 Cu1 N1 C1 142.0(11) . . . . ?
N2 Cu1 N1 C1 -176.5(5) . . . . ?
O9 Cu1 N1 C1 -78.1(5) . . . . ?
O1 Cu1 N1 C5 -166.9(4) . . . . ?
O5 Cu1 N1 C5 -38.7(14) . . . . ?
N2 Cu1 N1 C5 2.9(3) . . . . ?
O9 Cu1 N1 C5 101.2(3) . . . . ?
O1 Cu1 N2 C10 -128.9(8) . . . . ?
O5 Cu1 N2 C10 -7.0(5) . . . . ?
N1 Cu1 N2 C10 178.0(5) . . . . ?
O9 Cu1 N2 C10 71.3(5) . . . . ?
O1 Cu1 N2 C6 49.9(10) . . . . ?
O5 Cu1 N2 C6 171.8(4) . . . . ?
N1 Cu1 N2 C6 -3.2(4) . . . . ?
O9 Cu1 N2 C6 -109.9(4) . . . . ?
C5 N1 C1 C2 -0.4(8) . . . . ?
Cu1 N1 C1 C2 178.9(4) . . . . ?
N1 C1 C2 C3 1.5(10) . . . . ?
C1 C2 C3 C4 -0.6(9) . . . . ?
C2 C3 C4 C5 -1.3(9) . . . . ?
C2 C3 C4 C47 -178.1(6) . . . . ?
C1 N1 C5 C4 -1.6(8) . . . . ?
Cu1 N1 C5 C4 179.0(4) . . . . ?
C1 N1 C5 C6 177.3(5) . . . . ?
Cu1 N1 C5 C6 -2.1(6) . . . . ?
C3 C4 C5 N1 2.5(8) . . . . ?
C47 C4 C5 N1 179.5(5) . . . . ?
C3 C4 C5 C6 -176.4(5) . . . . ?
C47 C4 C5 C6 0.6(8) . . . . ?
C10 N2 C6 C7 0.1(8) . . . . ?
Cu1 N2 C6 C7 -178.9(4) . . . . ?
C10 N2 C6 C5 -178.1(5) . . . . ?
Cu1 N2 C6 C5 3.0(6) . . . . ?
N1 C5 C6 N2 -0.5(7) . . . . ?
C4 C5 C6 N2 178.4(5) . . . . ?
N1 C5 C6 C7 -178.8(5) . . . . ?
C4 C5 C6 C7 0.1(8) . . . . ?
N2 C6 C7 C8 0.1(8) . . . . ?
C5 C6 C7 C8 178.2(5) . . . . ?
N2 C6 C7 C48 -179.5(5) . . . . ?
C5 C6 C7 C48 -1.3(8) . . . . ?
C6 C7 C8 C9 -0.4(9) . . . . ?
C48 C7 C8 C9 179.1(6) . . . . ?
C7 C8 C9 C10 0.5(10) . . . . ?
C6 N2 C10 C9 0.0(8) . . . . ?
Cu1 N2 C10 C9 178.8(4) . . . . ?
C8 C9 C10 N2 -0.3(10) . . . . ?
C3 C4 C47 C48 176.8(6) . . . . ?
C5 C4 C47 C48 0.0(9) . . . . ?
C4 C47 C48 C7 -1.3(10) . . . . ?
C6 C7 C48 C47 2.0(10) . . . . ?
C8 C7 C48 C47 -177.5(6) . . . . ?
O2 Cu2 N3 C11 -173.3(9) . . . . ?
O9 Cu2 N3 C11 -13.2(5) . . . . ?
N4 Cu2 N3 C11 175.4(5) . . . . ?
O5 Cu2 N3 C11 66.6(5) . . . . ?
O2 Cu2 N3 C15 8.3(13) . . . . ?
O9 Cu2 N3 C15 168.3(4) . . . . ?
N4 Cu2 N3 C15 -3.0(4) . . . . ?
O5 Cu2 N3 C15 -111.9(4) . . . . ?
O2 Cu2 N4 C20 3.9(5) . . . . ?
O9 Cu2 N4 C20 111.7(10) . . . . ?
N3 Cu2 N4 C20 -178.0(5) . . . . ?
O5 Cu2 N4 C20 -87.1(5) . . . . ?
O2 Cu2 N4 C16 -175.4(4) . . . . ?
O9 Cu2 N4 C16 -67.6(11) . . . . ?
N3 Cu2 N4 C16 2.7(4) . . . . ?
O5 Cu2 N4 C16 93.6(4) . . . . ?
C15 N3 C11 C12 -2.1(9) . . . . ?
Cu2 N3 C11 C12 179.5(5) . . . . ?
N3 C11 C12 C13 -0.6(10) . . . . ?
C11 C12 C13 C14 2.0(10) . . . . ?
C12 C13 C14 C15 -0.8(10) . . . . ?
C12 C13 C14 C49 178.0(6) . . . . ?
C11 N3 C15 C14 3.5(9) . . . . ?
Cu2 N3 C15 C14 -177.9(4) . . . . ?
C11 N3 C15 C16 -175.8(5) . . . . ?
Cu2 N3 C15 C16 2.9(6) . . . . ?
C13 C14 C15 N3 -2.1(9) . . . . ?
C49 C14 C15 N3 179.1(5) . . . . ?
C13 C14 C15 C16 177.2(5) . . . . ?
C49 C14 C15 C16 -1.7(9) . . . . ?
C20 N4 C16 C17 -0.4(9) . . . . ?
Cu2 N4 C16 C17 179.0(5) . . . . ?
C20 N4 C16 C15 178.6(5) . . . . ?
Cu2 N4 C16 C15 -2.0(6) . . . . ?
N3 C15 C16 N4 -0.6(8) . . . . ?
C14 C15 C16 N4 -179.8(5) . . . . ?
N3 C15 C16 C17 178.4(5) . . . . ?
C14 C15 C16 C17 -0.8(9) . . . . ?
N4 C16 C17 C18 2.0(9) . . . . ?
C15 C16 C17 C18 -177.0(5) . . . . ?
N4 C16 C17 C50 -177.9(5) . . . . ?
C15 C16 C17 C50 3.1(9) . . . . ?
C16 C17 C18 C19 -1.9(10) . . . . ?
C50 C17 C18 C19 178.1(7) . . . . ?
C17 C18 C19 C20 0.2(11) . . . . ?
C16 N4 C20 C19 -1.5(9) . . . . ?
Cu2 N4 C20 C19 179.3(5) . . . . ?
C18 C19 C20 N4 1.5(11) . . . . ?
C15 C14 C49 C50 1.9(10) . . . . ?
C13 C14 C49 C50 -176.8(6) . . . . ?
C14 C49 C50 C17 0.5(11) . . . . ?
C16 C17 C50 C49 -3.0(10) . . . . ?
C18 C17 C50 C49 177.1(7) . . . . ?
O3 Cu3 N5 C21 -5.1(5) . . . . ?
O11 Cu3 N5 C21 -170(2) 1_545 . . . ?
N6 Cu3 N5 C21 -178.9(5) . . . . ?
O8 Cu3 N5 C21 85.2(5) 1_655 . . . ?
O3 Cu3 N5 C25 177.9(4) . . . . ?
O11 Cu3 N5 C25 13(3) 1_545 . . . ?
N6 Cu3 N5 C25 4.0(4) . . . . ?
O8 Cu3 N5 C25 -91.8(4) 1_655 . . . ?
O3 Cu3 N6 C30 140.0(10) . . . . ?
O11 Cu3 N6 C30 -1.5(5) 1_545 . . . ?
N5 Cu3 N6 C30 178.0(6) . . . . ?
O8 Cu3 N6 C30 -82.8(5) 1_655 . . . ?
O3 Cu3 N6 C26 -40.4(13) . . . . ?
O11 Cu3 N6 C26 178.1(4) 1_545 . . . ?
N5 Cu3 N6 C26 -2.5(4) . . . . ?
O8 Cu3 N6 C26 96.8(4) 1_655 . . . ?
C25 N5 C21 C22 1.8(9) . . . . ?
Cu3 N5 C21 C22 -175.1(5) . . . . ?
N5 C21 C22 C23 -1.9(11) . . . . ?
C21 C22 C23 C24 0.6(12) . . . . ?
C22 C23 C24 C25 0.6(12) . . . . ?
C22 C23 C24 C57 -177.3(8) . . . . ?
C21 N5 C25 C24 -0.6(9) . . . . ?
Cu3 N5 C25 C24 176.9(5) . . . . ?
C21 N5 C25 C26 177.8(5) . . . . ?
Cu3 N5 C25 C26 -4.8(6) . . . . ?
C23 C24 C25 N5 -0.6(11) . . . . ?
C57 C24 C25 N5 177.4(6) . . . . ?
C23 C24 C25 C26 -178.9(7) . . . . ?
C57 C24 C25 C26 -0.9(10) . . . . ?
C30 N6 C26 C27 -1.0(9) . . . . ?
Cu3 N6 C26 C27 179.4(5) . . . . ?
C30 N6 C26 C25 -179.8(6) . . . . ?
Cu3 N6 C26 C25 0.7(6) . . . . ?
N5 C25 C26 N6 2.8(8) . . . . ?
C24 C25 C26 N6 -178.8(6) . . . . ?
N5 C25 C26 C27 -176.0(5) . . . . ?
C24 C25 C26 C27 2.3(9) . . . . ?
N6 C26 C27 C28 -1.1(10) . . . . ?
C25 C26 C27 C28 177.7(6) . . . . ?
N6 C26 C27 C58 179.3(6) . . . . ?
C25 C26 C27 C58 -1.9(10) . . . . ?
C26 C27 C28 C29 1.8(11) . . . . ?
C58 C27 C28 C29 -178.6(7) . . . . ?
C27 C28 C29 C30 -0.6(12) . . . . ?
C26 N6 C30 C29 2.3(9) . . . . ?
Cu3 N6 C30 C29 -178.2(5) . . . . ?
C28 C29 C30 N6 -1.6(11) . . . . ?
C25 C24 C57 C58 -1.0(13) . . . . ?
C23 C24 C57 C58 176.8(9) . . . . ?
C24 C57 C58 C27 1.4(15) . . . . ?
C28 C27 C58 C57 -179.5(8) . . . . ?
C26 C27 C58 C57 0.1(13) . . . . ?
O8 Cu4 N7 C31 16.0(5) 1_655 . . . ?
O4 Cu4 N7 C31 158.7(12) . . . . ?
N8 Cu4 N7 C31 -174.9(5) . . . . ?
O11 Cu4 N7 C31 -66.8(5) 1_545 . . . ?
O8 Cu4 N7 C35 -166.3(4) 1_655 . . . ?
O4 Cu4 N7 C35 -23.6(16) . . . . ?
N8 Cu4 N7 C35 2.8(4) . . . . ?
O11 Cu4 N7 C35 110.9(4) 1_545 . . . ?
O8 Cu4 N8 C40 -120.5(8) 1_655 . . . ?
O4 Cu4 N8 C40 -5.3(5) . . . . ?
N7 Cu4 N8 C40 178.1(5) . . . . ?
O11 Cu4 N8 C40 86.6(5) 1_545 . . . ?
O8 Cu4 N8 C36 58.1(10) 1_655 . . . ?
O4 Cu4 N8 C36 173.3(4) . . . . ?
N7 Cu4 N8 C36 -3.3(4) . . . . ?
O11 Cu4 N8 C36 -94.8(4) 1_545 . . . ?
C35 N7 C31 C32 -1.8(9) . . . . ?
Cu4 N7 C31 C32 175.8(5) . . . . ?
N7 C31 C32 C33 2.7(10) . . . . ?
C31 C32 C33 C34 -1.3(11) . . . . ?
C32 C33 C34 C59 -179.3(7) . . . . ?
C32 C33 C34 C35 -0.8(10) . . . . ?
C31 N7 C35 C36 176.2(5) . . . . ?
Cu4 N7 C35 C36 -1.7(6) . . . . ?
C31 N7 C35 C34 -0.5(8) . . . . ?
Cu4 N7 C35 C34 -178.4(4) . . . . ?
C33 C34 C35 N7 1.7(9) . . . . ?
C59 C34 C35 N7 -179.6(6) . . . . ?
C33 C34 C35 C36 -174.8(6) . . . . ?
C59 C34 C35 C36 3.9(8) . . . . ?
C40 N8 C36 C37 1.8(9) . . . . ?
Cu4 N8 C36 C37 -176.9(5) . . . . ?
C40 N8 C36 C35 -177.9(5) . . . . ?
Cu4 N8 C36 C35 3.4(6) . . . . ?
N7 C35 C36 N8 -1.2(8) . . . . ?
C34 C35 C36 N8 175.6(5) . . . . ?
N7 C35 C36 C37 179.1(5) . . . . ?
C34 C35 C36 C37 -4.2(9) . . . . ?
N8 C36 C37 C38 -0.8(9) . . . . ?
C35 C36 C37 C38 178.9(5) . . . . ?
N8 C36 C37 C60 -178.3(5) . . . . ?
C35 C36 C37 C60 1.4(9) . . . . ?
C36 C37 C38 C39 0.0(10) . . . . ?
C60 C37 C38 C39 177.3(6) . . . . ?
C37 C38 C39 C40 -0.3(10) . . . . ?
C36 N8 C40 C39 -2.1(9) . . . . ?
Cu4 N8 C40 C39 176.4(5) . . . . ?
C38 C39 C40 N8 1.3(10) . . . . ?
C33 C34 C59 C60 177.7(7) . . . . ?
C35 C34 C59 C60 -0.8(10) . . . . ?
C34 C59 C60 C37 -1.9(11) . . . . ?
C38 C37 C60 C59 -175.6(7) . . . . ?
C36 C37 C60 C59 1.6(10) . . . . ?
O5 Cu1 O1 C41 39.2(5) . . . . ?
N1 Cu1 O1 C41 -146.7(5) . . . . ?
N2 Cu1 O1 C41 160.9(7) . . . . ?
O9 Cu1 O1 C41 -39.0(5) . . . . ?
O9 Cu2 O2 C41 49.6(5) . . . . ?
N3 Cu2 O2 C41 -150.3(10) . . . . ?
N4 Cu2 O2 C41 -139.1(5) . . . . ?
O5 Cu2 O2 C41 -30.0(5) . . . . ?
O11 Cu3 O3 C46 -46.3(6) 1_545 . . . ?
N5 Cu3 O3 C46 134.7(6) . . . . ?
N6 Cu3 O3 C46 172.1(10) . . . . ?
O8 Cu3 O3 C46 34.5(6) 1_655 . . . ?
O8 Cu4 O4 C46 -46.2(5) 1_655 . . . ?
N7 Cu4 O4 C46 171.2(12) . . . . ?
N8 Cu4 O4 C46 145.1(5) . . . . ?
O11 Cu4 O4 C46 36.6(5) 1_545 . . . ?
Cu2 O2 C41 O1 -10.0(9) . . . . ?
Cu2 O2 C41 C42 167.6(4) . . . . ?
Cu1 O1 C41 O2 8.3(8) . . . . ?
Cu1 O1 C41 C42 -169.2(4) . . . . ?
O2 C41 C42 C43 169.6(6) . . . . ?
O1 C41 C42 C43 -12.6(9) . . . . ?
C41 C42 C43 C44 177.1(6) . . . . ?
C42 C43 C44 C45 -178.3(6) . . . . ?
C43 C44 C45 C46 178.2(6) . . . . ?
Cu3 O3 C46 O4 3.4(11) . . . . ?
Cu3 O3 C46 C45 -175.0(5) . . . . ?
Cu4 O4 C46 O3 -2.0(10) . . . . ?
Cu4 O4 C46 C45 176.4(5) . . . . ?
C44 C45 C46 O3 -158.6(7) . . . . ?
C44 C45 C46 O4 22.8(10) . . . . ?
O1 Cu1 O5 C51 83.5(3) . . . . ?
N1 Cu1 O5 C51 -44.5(14) . . . . ?
N2 Cu1 O5 C51 -85.7(3) . . . . ?
O9 Cu1 O5 C51 174.3(3) . . . . ?
O1 Cu1 O5 Cu2 -66.96(16) . . . . ?
N1 Cu1 O5 Cu2 165.1(12) . . . . ?
N2 Cu1 O5 Cu2 123.90(15) . . . . ?
O9 Cu1 O5 Cu2 23.83(12) . . . . ?
O2 Cu2 O5 C51 -69.5(5) . . . . ?
O9 Cu2 O5 C51 -163.2(5) . . . . ?
N3 Cu2 O5 C51 102.3(5) . . . . ?
N4 Cu2 O5 C51 19.8(5) . . . . ?
O2 Cu2 O5 Cu1 65.33(16) . . . . ?
O9 Cu2 O5 Cu1 -28.41(14) . . . . ?
N3 Cu2 O5 Cu1 -122.92(17) . . . . ?
N4 Cu2 O5 Cu1 154.57(16) . . . . ?
Cu1 O5 C51 O6 -0.7(6) . . . . ?
Cu2 O5 C51 O6 129.9(5) . . . . ?
Cu1 O5 C51 C52 174.9(3) . . . . ?
Cu2 O5 C51 C52 -54.5(7) . . . . ?
O6 C51 C52 C53 -37.8(7) . . . . ?
O5 C51 C52 C53 146.5(5) . . . . ?
C51 C52 C53 C54 -67.3(7) . . . . ?
C52 C53 C54 C55 -175.0(5) . . . . ?
C53 C54 C55 C56 64.9(7) . . . . ?
Cu4 O8 C56 O7 -1.9(6) 1_455 . . . ?
Cu3 O8 C56 O7 -137.3(6) 1_455 . . . ?
Cu4 O8 C56 C55 179.1(4) 1_455 . . . ?
Cu3 O8 C56 C55 43.8(9) 1_455 . . . ?
C54 C55 C56 O7 49.3(7) . . . . ?
C54 C55 C56 O8 -131.8(5) . . . . ?
O2 Cu2 O9 C61 84.1(4) . . . . ?
N3 Cu2 O9 C61 -92.6(4) . . . . ?
N4 Cu2 O9 C61 -23.3(12) . . . . ?
O5 Cu2 O9 C61 174.8(4) . . . . ?
O2 Cu2 O9 Cu1 -67.09(15) . . . . ?
N3 Cu2 O9 Cu1 116.17(15) . . . . ?
N4 Cu2 O9 Cu1 -174.5(10) . . . . ?
O5 Cu2 O9 Cu1 23.55(11) . . . . ?
O1 Cu1 O9 C61 -69.2(5) . . . . ?
O5 Cu1 O9 C61 -163.6(5) . . . . ?
N1 Cu1 O9 C61 21.3(5) . . . . ?
N2 Cu1 O9 C61 106.4(5) . . . . ?
O1 Cu1 O9 Cu2 66.80(15) . . . . ?
O5 Cu1 O9 Cu2 -27.65(13) . . . . ?
N1 Cu1 O9 Cu2 157.32(14) . . . . ?
N2 Cu1 O9 Cu2 -117.59(17) . . . . ?
Cu2 O9 C61 O10 12.7(7) . . . . ?
Cu1 O9 C61 O10 143.6(5) . . . . ?
Cu2 O9 C61 C62 -163.4(4) . . . . ?
Cu1 O9 C61 C62 -32.5(8) . . . . ?
O10 C61 C62 C63 126.2(6) . . . . ?
O9 C61 C62 C63 -57.6(7) . . . . ?
C61 C62 C63 C64 168.2(5) . . . . ?
C62 C63 C64 C65 179.8(5) . . . . ?
C63 C64 C65 C66 179.5(5) . . . . ?
Cu3 O11 C66 O12 -13.0(7) 1_565 . . . ?
Cu4 O11 C66 O12 -149.8(5) 1_565 . . . ?
Cu3 O11 C66 C65 167.8(4) 1_565 . . . ?
Cu4 O11 C66 C65 31.0(8) 1_565 . . . ?
C64 C65 C66 O12 -120.6(6) . . . . ?
C64 C65 C66 O11 58.6(7) . . . . ?
