#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:23:38 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180076 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/22/7052242.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_7052242
loop_
_publ_author_name
'Madalan, Augustin M.'
'Avarvari, Narcis'
'Andruh, Marius'
_publ_section_title
;
 Metal complexes as second-sphere ligands
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              521
_journal_paper_doi               10.1039/b517989k
_journal_volume                  30
_journal_year                    2006
_chemical_formula_sum            'C35 H35 Cl Cu N4 Ni O11'
_chemical_formula_weight         845.37
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 106.723(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.6386(12)
_cell_length_b                   35.110(2)
_cell_length_c                   8.4367(6)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.95
_cell_measurement_theta_min      2.05
_cell_volume                     3585.4(5)
_computing_cell_refinement       'SELECT, CELL [STOE-IPDS]'
_computing_data_collection       'EXPOSE [STOE-IPDS]'
_computing_data_reduction        'INTEGRATE [STOE-IPDS]'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 6.6
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  STOE-IPDS
_diffrn_measurement_method       'Oscillation, Phi. incr. = 0.7'
_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  0.1016
_diffrn_reflns_av_sigmaI/netI    0.1276
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            27115
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    1.259
_exptl_absorpt_correction_T_max  0.8793
_exptl_absorpt_correction_T_min  0.8675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   wingx
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             1740
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.242
_refine_diff_density_min         -0.309
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.757
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     513
_refine_ls_number_reflns         6751
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.757
_refine_ls_R_factor_all          0.1360
_refine_ls_R_factor_gt           0.0382
_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)+(0.0163P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0545
_refine_ls_wR_factor_ref         0.0721
_reflns_number_gt                2594
_reflns_number_total             6751
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b517989k.txt
_cod_data_source_block           mam33
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7052242
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.7129(4) -0.26024(13) 0.9935(6) 0.0839(16) Uani 1 1 d . . .
H1A H 0.6394 -0.2644 0.9227 0.126 Uiso 1 1 calc R . .
H1B H 0.7094 -0.2520 1.1005 0.126 Uiso 1 1 calc R . .
H1C H 0.7542 -0.2835 1.0048 0.126 Uiso 1 1 calc R . .
C2 C 0.8716(4) -0.22162(13) 1.0074(6) 0.0663(13) Uani 1 1 d . . .
C3 C 0.9358(5) -0.24156(14) 1.1377(7) 0.0802(15) Uani 1 1 d . . .
H3 H 0.9084 -0.2637 1.1718 0.096 Uiso 1 1 calc R . .
C4 C 1.0428(5) -0.22927(19) 1.2216(8) 0.101(2) Uani 1 1 d . . .
H4 H 1.0857 -0.2427 1.3125 0.121 Uiso 1 1 calc R . .
C5 C 1.0828(4) -0.1974(2) 1.1677(8) 0.0989(19) Uani 1 1 d . . .
H5 H 1.1542 -0.1893 1.2215 0.119 Uiso 1 1 calc R . .
C6 C 1.0187(4) -0.17647(17) 1.0327(7) 0.0793(15) Uani 1 1 d . . .
C7 C 0.9113(4) -0.18816(13) 0.9480(6) 0.0623(12) Uani 1 1 d . . .
C8 C 1.0637(4) -0.14260(19) 0.9839(8) 0.0913(19) Uani 1 1 d . . .
H8 H 1.1362 -0.1364 1.0409 0.110 Uiso 1 1 calc R . .
C9 C 1.0747(6) -0.0873(2) 0.8275(11) 0.144(3) Uani 1 1 d . . .
H9A H 1.1248 -0.0772 0.9286 0.173 Uiso 1 1 calc R . .
H9B H 1.1182 -0.0957 0.7564 0.173 Uiso 1 1 calc R . .
C10 C 1.0034(6) -0.05965(18) 0.7504(12) 0.146(3) Uani 1 1 d . . .
H10A H 1.0349 -0.0458 0.6752 0.175 Uiso 1 1 calc R . .
H10B H 0.9928 -0.0418 0.8321 0.175 Uiso 1 1 calc R . .
C11 C 0.8242(7) -0.05732(15) 0.5372(9) 0.094(2) Uani 1 1 d . . .
H11 H 0.8483 -0.0340 0.5086 0.113 Uiso 1 1 calc R . .
C12 C 0.7175(5) -0.06818(15) 0.4477(8) 0.0815(16) Uani 1 1 d . . .
C13 C 0.6557(6) -0.04376(16) 0.3217(8) 0.096(2) Uani 1 1 d . . .
H13 H 0.6867 -0.0211 0.2996 0.115 Uiso 1 1 calc R . .
C14 C 0.5528(6) -0.05316(17) 0.2340(9) 0.104(2) Uani 1 1 d . . .
H14 H 0.5129 -0.0371 0.1504 0.124 Uiso 1 1 calc R . .
C15 C 0.5054(5) -0.08691(16) 0.2674(7) 0.0917(18) Uani 1 1 d . . .
H15 H 0.4339 -0.0932 0.2059 0.110 Uiso 1 1 calc R . .
C16 C 0.5632(5) -0.11106(14) 0.3906(7) 0.0752(15) Uani 1 1 d . . .
C17 C 0.6735(5) -0.10282(13) 0.4844(7) 0.0704(14) Uani 1 1 d . . .
C18 C 0.4077(4) -0.15143(17) 0.3698(7) 0.0998(18) Uani 1 1 d . . .
H18A H 0.3903 -0.1758 0.4080 0.150 Uiso 1 1 calc R . .
H18B H 0.3874 -0.1514 0.2511 0.150 Uiso 1 1 calc R . .
H18C H 0.3674 -0.1319 0.4070 0.150 Uiso 1 1 calc R . .
C19 C 0.4846(4) -0.07774(12) 0.7196(6) 0.0588(12) Uani 1 1 d . . .
H19 H 0.4149 -0.0869 0.6631 0.071 Uiso 1 1 calc R . .
C20 C 0.5161(4) -0.04214(12) 0.6770(6) 0.0673(13) Uani 1 1 d . . .
H20 H 0.4681 -0.0279 0.5938 0.081 Uiso 1 1 calc R . .
C21 C 0.6173(4) -0.02839(13) 0.7575(7) 0.0709(14) Uani 1 1 d . . .
H21 H 0.6394 -0.0047 0.7296 0.085 Uiso 1 1 calc R . .
C22 C 0.6884(4) -0.04995(13) 0.8826(6) 0.0617(13) Uani 1 1 d . . .
C23 C 0.6500(4) -0.08559(11) 0.9189(6) 0.0516(11) Uani 1 1 d . . .
C24 C 0.7170(4) -0.10886(12) 1.0454(6) 0.0534(11) Uani 1 1 d . . .
C25 C 0.8228(4) -0.09684(14) 1.1379(6) 0.0642(13) Uani 1 1 d . . .
C26 C 0.8829(4) -0.12145(15) 1.2596(7) 0.0720(14) Uani 1 1 d . . .
H26 H 0.9545 -0.1152 1.3209 0.086 Uiso 1 1 calc R . .
C27 C 0.8368(4) -0.15481(16) 1.2890(6) 0.0758(14) Uani 1 1 d . . .
H27 H 0.8757 -0.1710 1.3727 0.091 Uiso 1 1 calc R . .
C28 C 0.7302(4) -0.16442(13) 1.1915(6) 0.0676(14) Uani 1 1 d . . .
H28 H 0.6999 -0.1874 1.2121 0.081 Uiso 1 1 calc R . .
C29 C 0.7961(4) -0.03819(15) 0.9799(7) 0.0785(15) Uani 1 1 d . . .
H29 H 0.8224 -0.0145 0.9602 0.094 Uiso 1 1 calc R . .
C30 C 0.8596(4) -0.06024(15) 1.0976(8) 0.0789(15) Uani 1 1 d . . .
H30 H 0.9298 -0.0518 1.1555 0.095 Uiso 1 1 calc R . .
C31 C 0.4048(4) -0.24222(13) 1.1396(7) 0.0951(18) Uani 1 1 d . . .
H31A H 0.4777 -0.2454 1.2139 0.143 Uiso 1 1 calc R . .
H31B H 0.3823 -0.2654 1.0787 0.143 Uiso 1 1 calc R . .
H31C H 0.3542 -0.2363 1.2018 0.143 Uiso 1 1 calc R . .
C32 C 0.4054(5) -0.21019(12) 1.0208(6) 0.0650(13) Uani 1 1 d . . .
C33 C 0.3078(4) -0.20025(13) 0.9038(7) 0.0694(13) Uani 1 1 d . . .
H33 H 0.2440 -0.2130 0.9074 0.083 Uiso 1 1 calc R . .
C34 C 0.2973(4) -0.17279(13) 0.7810(6) 0.0633(13) Uani 1 1 d . . .
C35 C 0.1894(4) -0.16959(15) 0.6470(7) 0.0966(19) Uani 1 1 d . . .
H35A H 0.1947 -0.1498 0.5712 0.145 Uiso 1 1 calc R . .
H35B H 0.1315 -0.1636 0.6956 0.145 Uiso 1 1 calc R . .
H35C H 0.1732 -0.1933 0.5887 0.145 Uiso 1 1 calc R . .
Cu1 Cu 0.52262(4) -0.151391(14) 0.91288(8) 0.05951(17) Uani 1 1 d . . .
N1 N 1.0115(4) -0.12001(13) 0.8671(6) 0.0855(14) Uani 1 1 d . . .
N2 N 0.8939(4) -0.07574(12) 0.6555(7) 0.0885(14) Uani 1 1 d . . .
N3 N 0.5488(3) -0.09914(9) 0.8362(5) 0.0547(9) Uani 1 1 d . . .
N4 N 0.6713(3) -0.14253(10) 1.0729(5) 0.0550(10) Uani 1 1 d . . .
Ni1 Ni 0.86919(5) -0.123113(17) 0.73587(9) 0.0689(2) Uani 1 1 d . . .
O1 O 0.7662(3) -0.23150(8) 0.9228(4) 0.0695(9) Uani 1 1 d . . .
O2 O 0.8442(2) -0.16983(8) 0.8237(4) 0.0674(9) Uani 1 1 d . . .
O1W O 0.5978(3) -0.18267(9) 0.7375(5) 0.0642(9) Uani 1 1 d . . .
O3 O 0.7254(2) -0.12686(8) 0.6005(4) 0.0700(9) Uani 1 1 d . . .
O4 O 0.5238(3) -0.14441(10) 0.4345(5) 0.0836(10) Uani 1 1 d . . .
O5 O 0.4984(2) -0.19440(8) 1.0370(4) 0.0685(9) Uani 1 1 d . . .
O6 O 0.3750(2) -0.15123(9) 0.7686(4) 0.0716(9) Uani 1 1 d . . .
O7 O 1.2556(12) -0.0423(5) 1.490(3) 0.190(9) Uani 0.50 1 d P . .
O8 O 1.1507(4) -0.09428(13) 1.3493(9) 0.191(3) Uani 1 1 d . . .
O9 O 1.1304(11) -0.0322(4) 1.238(2) 0.142(7) Uani 0.50 1 d P . .
O10 O 1.0903(12) -0.0348(5) 1.359(4) 0.231(14) Uani 0.50 1 d P . .
O11 O 1.153(4) -0.0491(6) 1.498(4) 0.358(19) Uani 0.50 1 d P . .
O13 O 1.2919(8) -0.0523(4) 1.392(3) 0.142(7) Uani 0.50 1 d P . .
O14 O 1.215(3) -0.0579(6) 1.219(3) 0.276(11) Uani 0.50 1 d P . .
Cl1 Cl 1.18042(13) -0.05694(4) 1.3610(3) 0.0926(5) Uani 1 1 d . . .
H1W H 0.678(5) -0.1951(16) 0.789(8) 0.14(2) Uiso 1 1 d . . .
H2W H 0.612(4) -0.1677(15) 0.668(8) 0.11(2) Uiso 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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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
C3 C2 O1 124.0(5) . . ?
C3 C2 C7 121.4(5) . . ?
O1 C2 C7 114.6(4) . . ?
C2 C3 C4 121.0(5) . . ?
C5 C4 C3 118.8(6) . . ?
C4 C5 C6 121.3(6) . . ?
C7 C6 C5 120.7(6) . . ?
C7 C6 C8 120.3(5) . . ?
C5 C6 C8 119.0(6) . . ?
O2 C7 C6 124.9(5) . . ?
O2 C7 C2 118.3(4) . . ?
C6 C7 C2 116.8(5) . . ?
N1 C8 C6 125.0(5) . . ?
C10 C9 N1 109.5(6) . . ?
C9 C10 N2 111.8(6) . . ?
N2 C11 C12 128.1(5) . . ?
C11 C12 C17 119.9(5) . . ?
C11 C12 C13 118.7(6) . . ?
C17 C12 C13 121.4(6) . . ?
C14 C13 C12 120.3(6) . . ?
C13 C14 C15 120.2(6) . . ?
C16 C15 C14 120.7(6) . . ?
O4 C16 C15 125.3(6) . . ?
O4 C16 C17 113.6(4) . . ?
C15 C16 C17 121.2(5) . . ?
O3 C17 C12 125.0(5) . . ?
O3 C17 C16 118.9(4) . . ?
C12 C17 C16 116.1(5) . . ?
N3 C19 C20 123.1(4) . . ?
C21 C20 C19 119.4(4) . . ?
C20 C21 C22 119.7(4) . . ?
C21 C22 C23 117.4(4) . . ?
C21 C22 C29 125.1(5) . . ?
C23 C22 C29 117.5(5) . . ?
N3 C23 C22 122.2(4) . . ?
N3 C23 C24 117.2(4) . . ?
C22 C23 C24 120.6(4) . . ?
N4 C24 C25 123.2(4) . . ?
N4 C24 C23 116.0(4) . . ?
C25 C24 C23 120.8(4) . . ?
C26 C25 C24 117.0(5) . . ?
C26 C25 C30 125.8(5) . . ?
C24 C25 C30 117.2(4) . . ?
C27 C26 C25 119.8(5) . . ?
C26 C27 C28 119.3(5) . . ?
N4 C28 C27 123.0(5) . . ?
C30 C29 C22 121.9(5) . . ?
C29 C30 C25 122.0(5) . . ?
O5 C32 C33 125.0(4) . . ?
O5 C32 C31 115.8(5) . . ?
C33 C32 C31 119.3(4) . . ?
C32 C33 C34 125.4(4) . . ?
O6 C34 C33 124.3(4) . . ?
O6 C34 C35 116.7(5) . . ?
C33 C34 C35 118.9(5) . . ?
O5 Cu1 O6 94.06(13) . . ?
O5 Cu1 N4 91.16(14) . . ?
O6 Cu1 N4 170.28(14) . . ?
O5 Cu1 N3 165.28(15) . . ?
O6 Cu1 N3 90.76(14) . . ?
N4 Cu1 N3 82.24(15) . . ?
O5 Cu1 O1W 97.96(14) . . ?
O6 Cu1 O1W 95.84(14) . . ?
N4 Cu1 O1W 91.55(13) . . ?
N3 Cu1 O1W 95.36(14) . . ?
C8 N1 C9 117.2(5) . . ?
C8 N1 Ni1 128.7(4) . . ?
C9 N1 Ni1 114.1(5) . . ?
C11 N2 C10 122.8(5) . . ?
C11 N2 Ni1 125.4(4) . . ?
C10 N2 Ni1 111.7(4) . . ?
C19 N3 C23 118.2(4) . . ?
C19 N3 Cu1 129.8(3) . . ?
C23 N3 Cu1 112.0(3) . . ?
C28 N4 C24 117.6(4) . . ?
C28 N4 Cu1 129.9(3) . . ?
C24 N4 Cu1 112.4(3) . . ?
N1 Ni1 O3 179.05(19) . . ?
N1 Ni1 N2 85.9(2) . . ?
O3 Ni1 N2 94.4(2) . . ?
N1 Ni1 O2 93.52(19) . . ?
O3 Ni1 O2 86.24(14) . . ?
N2 Ni1 O2 177.90(19) . . ?
C2 O1 C1 117.8(4) . . ?
C7 O2 Ni1 127.2(3) . . ?
C17 O3 Ni1 127.2(3) . . ?
C16 O4 C18 117.3(4) . . ?
C32 O5 Cu1 125.0(3) . . ?
C34 O6 Cu1 125.6(3) . . ?
O13 O7 Cl1 67.5(11) . . ?
O13 O7 O11 126.4(18) . . ?
Cl1 O7 O11 59.8(13) . . ?
O10 O9 Cl1 62.9(9) . . ?
O10 O9 O14 121.7(14) . . ?
Cl1 O9 O14 59.4(9) . . ?
O9 O10 O11 118.2(19) . . ?
O9 O10 Cl1 61.9(10) . . ?
O11 O10 Cl1 59.3(10) . . ?
O10 O11 Cl1 62.7(13) . . ?
O10 O11 O7 103.3(16) . . ?
Cl1 O11 O7 59.5(8) . . ?
O7 O13 Cl1 63.6(8) . . ?
O7 O13 O14 118.1(16) . . ?
Cl1 O13 O14 57.4(10) . . ?
Cl1 O14 O9 57.5(10) . . ?
Cl1 O14 O13 56.0(9) . . ?
O9 O14 O13 96.0(14) . . ?
O7 Cl1 O11 60.6(14) . . ?
O7 Cl1 O8 123.4(9) . . ?
O11 Cl1 O8 97.3(10) . . ?
O7 Cl1 O9 116.6(12) . . ?
O11 Cl1 O9 110.6(14) . . ?
O8 Cl1 O9 120.0(7) . . ?
O7 Cl1 O13 48.9(8) . . ?
O11 Cl1 O13 109.0(17) . . ?
O8 Cl1 O13 112.1(6) . . ?
O9 Cl1 O13 107.2(8) . . ?
O7 Cl1 O10 100.8(9) . . ?
O11 Cl1 O10 58.0(13) . . ?
O8 Cl1 O10 109.6(9) . . ?
O9 Cl1 O10 55.2(11) . . ?
O13 Cl1 O10 137.7(11) . . ?
O7 Cl1 O14 113.0(12) . . ?
O11 Cl1 O14 169.1(12) . . ?
O8 Cl1 O14 93.6(8) . . ?
O9 Cl1 O14 63.1(10) . . ?
O13 Cl1 O14 66.6(12) . . ?
O10 Cl1 O14 117.8(14) . . ?
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
C1 O1 1.435(5) . ?
C2 C3 1.358(6) . ?
C2 O1 1.362(5) . ?
C2 C7 1.424(6) . ?
C3 C4 1.402(7) . ?
C4 C5 1.360(8) . ?
C5 C6 1.401(7) . ?
C6 C7 1.400(6) . ?
C6 C8 1.429(8) . ?
C7 O2 1.312(5) . ?
C8 N1 1.289(7) . ?
C9 C10 1.356(8) . ?
C9 N1 1.492(7) . ?
C10 N2 1.495(7) . ?
C11 N2 1.298(7) . ?
C11 C12 1.395(7) . ?
C12 C17 1.409(7) . ?
C12 C13 1.413(8) . ?
C13 C14 1.339(7) . ?
C14 C15 1.393(8) . ?
C15 C16 1.377(7) . ?
C16 O4 1.365(6) . ?
C16 C17 1.420(7) . ?
C17 O3 1.316(5) . ?
C18 O4 1.433(5) . ?
C19 N3 1.316(5) . ?
C19 C20 1.390(6) . ?
C20 C21 1.353(6) . ?
C21 C22 1.396(6) . ?
C22 C23 1.407(6) . ?
C22 C29 1.433(6) . ?
C23 N3 1.355(5) . ?
C23 C24 1.415(6) . ?
C24 N4 1.365(5) . ?
C24 C25 1.405(6) . ?
C25 C26 1.389(7) . ?
C25 C30 1.440(7) . ?
C26 C27 1.362(7) . ?
C27 C28 1.403(6) . ?
C28 N4 1.311(5) . ?
C29 C30 1.330(7) . ?
C31 C32 1.508(6) . ?
C32 O5 1.272(5) . ?
C32 C33 1.384(6) . ?
C33 C34 1.393(7) . ?
C34 O6 1.268(5) . ?
C34 C35 1.504(6) . ?
Cu1 O5 1.912(3) . ?
Cu1 O6 1.912(3) . ?
Cu1 N4 1.998(4) . ?
Cu1 N3 2.004(3) . ?
Cu1 O1W 2.261(3) . ?
N1 Ni1 1.824(5) . ?
N2 Ni1 1.856(4) . ?
Ni1 O3 1.851(3) . ?
Ni1 O2 1.864(3) . ?
O7 O13 1.116(18) . ?
O7 Cl1 1.326(12) . ?
O7 O11 1.34(3) . ?
O8 Cl1 1.359(4) . ?
O9 O10 1.27(3) . ?
O9 Cl1 1.363(10) . ?
O9 O14 1.44(2) . ?
O10 O11 1.31(3) . ?
O10 Cl1 1.375(14) . ?
O11 Cl1 1.331(16) . ?
O13 Cl1 1.367(9) . ?
O13 O14 1.51(3) . ?
O14 Cl1 1.390(18) . ?
