#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:47:14 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180518 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/87/7218786.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_7218786
loop_
_publ_author_name
'Qiao, Jin-Zhong'
'Zhan, Mao-Sheng'
'Hu, Tuo-Ping'
_publ_section_title
;
 Syntheses, crystal structures, photoluminescent/magnetic properties of
 four new coordination polymers based on
 2,3′,4,5′-biphenyltetracarboxylic acid
;
_journal_issue                   107
_journal_name_full               'RSC Adv.'
_journal_page_first              62285
_journal_paper_doi               10.1039/C4RA09505G
_journal_volume                  4
_journal_year                    2014
_chemical_formula_sum            'C34 H41 N6 Ni2 O18'
_chemical_formula_weight         939.11
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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                 116.316(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.1280(9)
_cell_length_b                   14.5817(4)
_cell_length_c                   28.0830(12)
_cell_measurement_reflns_used    3732
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.2940
_cell_measurement_theta_min      3.4630
_cell_volume                     8122.3(6)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Apex II CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71000
_diffrn_reflns_av_R_equivalents  0.0546
_diffrn_reflns_av_unetI/netI     0.0824
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            17122
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    1.010
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87903
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3880
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.765
_refine_diff_density_min         -0.461
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     625
_refine_ls_number_reflns         7169
_refine_ls_number_restraints     715
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0533
_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)+(0.0651P)²+1.4371P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1277
_refine_ls_wR_factor_ref         0.1494
_reflns_number_gt                5003
_reflns_number_total             7169
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra09505g2.cif
_cod_data_source_block           htp-18
_cod_original_cell_volume        8122.3(5)
_cod_database_code               7218786
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
Ni1 Ni 0.74600(3) 0.32840(3) 0.74428(2) 0.01890(16) Uani 1 1 d U . .
Ni2 Ni 0.78102(3) 0.50577(4) 0.46059(2) 0.02478(17) Uani 1 1 d U . .
O1 O 0.82688(17) 0.33501(18) 0.66539(13) 0.0351(8) Uani 1 1 d U . .
O2 O 0.77692(15) 0.41707(18) 0.70439(12) 0.0279(7) Uani 1 1 d U . .
O3 O 0.78698(14) 0.73962(18) 0.71597(12) 0.0258(7) Uani 1 1 d U . .
O4 O 0.83571(16) 0.82498(18) 0.67718(13) 0.0333(8) Uani 1 1 d U . .
O5 O 1.21609(14) 0.57218(17) 0.65146(12) 0.0260(7) Uani 1 1 d U . .
O6 O 1.15278(14) 0.5113(2) 0.57211(12) 0.0332(8) Uani 1 1 d U . .
O7 O 0.86478(14) 0.55038(19) 0.52755(12) 0.0252(7) Uani 1 1 d U . .
O8 O 0.91188(17) 0.4119(2) 0.54990(15) 0.0509(10) Uani 1 1 d U . .
O9W O 0.79111(17) 0.3693(2) 0.48638(14) 0.0349(8) Uani 1 1 d DU . .
H9WA H 0.780(3) 0.325(2) 0.4663(17) 0.052 Uiso 1 1 d DU . .
O10W O 0.69973(15) 0.4647(2) 0.38990(12) 0.0352(8) Uani 1 1 d U . .
H10A H 0.6784 0.4171 0.3948 0.053 Uiso 1 1 d RU . .
H10B H 0.7131 0.4489 0.3657 0.053 Uiso 1 1 d RU . .
O11W O 0.76211(19) 0.6428(2) 0.42998(16) 0.0400(8) Uani 1 1 d DU . .
O12W O 0.78105(14) 0.21600(17) 0.71604(11) 0.0265(7) Uani 1 1 d U . .
H12A H 0.7479 0.1786 0.6971 0.040 Uiso 1 1 d RU . .
H12B H 0.7996 0.2344 0.6957 0.040 Uiso 1 1 d RU . .
O13W O 0.71159(14) 0.44105(17) 0.77243(12) 0.0269(7) Uani 1 1 d U . .
H13A H 0.7438 0.4945 0.7945 0.040 Uiso 1 1 d RU . .
H13B H 0.6957 0.4230 0.7946 0.040 Uiso 1 1 d RU . .
N1 N 0.72033(18) 0.5309(3) 0.49717(15) 0.0303(9) Uani 1 1 d U . .
N2 N 0.63179(18) 0.5319(2) 0.51353(16) 0.0308(9) Uani 1 1 d U . .
N3 N 0.84241(17) 0.3294(2) 0.80790(14) 0.0251(8) Uani 1 1 d U . .
N4 N 0.92720(18) 0.3007(2) 0.88616(14) 0.0251(8) Uani 1 1 d U . .
N5 N 1.06775(18) 0.2010(2) 1.10108(14) 0.0257(8) Uani 1 1 d U . .
N6 N 1.15109(17) 0.1755(2) 1.18056(14) 0.0255(8) Uani 1 1 d U . .
C2 C 0.8436(2) 0.4968(2) 0.67377(17) 0.0207(9) Uani 1 1 d U . .
C3 C 0.8206(2) 0.5794(3) 0.68421(16) 0.0215(9) Uani 1 1 d U . .
H3 H 0.7861 0.5795 0.6946 0.026 Uiso 1 1 calc RU . .
C4 C 0.8488(2) 0.6624(3) 0.67924(16) 0.0215(9) Uani 1 1 d U . .
C5 C 0.9013(2) 0.6609(3) 0.66444(17) 0.0215(9) Uani 1 1 d U . .
H5 H 0.9208 0.7158 0.6615 0.026 Uiso 1 1 calc RU . .
C6 C 0.9248(2) 0.5793(3) 0.65409(16) 0.0197(9) Uani 1 1 d U . .
C7 C 0.9840(2) 0.5755(2) 0.64129(17) 0.0209(9) Uani 1 1 d U . .
C8 C 1.0469(2) 0.6064(3) 0.67937(18) 0.0243(10) Uani 1 1 d U . .
H8 H 1.0505 0.6336 0.7105 0.029 Uiso 1 1 calc RU . .
C9 C 1.1037(2) 0.5967(3) 0.67088(17) 0.0243(10) Uani 1 1 d U . .
H9 H 1.1455 0.6163 0.6966 0.029 Uiso 1 1 calc RU . .
C10 C 1.0985(2) 0.5577(2) 0.62402(16) 0.0192(9) Uani 1 1 d U . .
C11 C 1.0362(2) 0.5272(3) 0.58622(17) 0.0224(9) Uani 1 1 d U . .
H11 H 1.0326 0.5005 0.5550 0.027 Uiso 1 1 calc RU . .
C12 C 0.9786(2) 0.5363(3) 0.59477(16) 0.0183(9) Uani 1 1 d U . .
C13 C 0.8133(2) 0.4096(3) 0.68119(17) 0.0230(9) Uani 1 1 d U . .
C14 C 0.8222(2) 0.7493(3) 0.69168(16) 0.0209(9) Uani 1 1 d U . .
C15 C 1.1599(2) 0.5464(3) 0.61464(17) 0.0201(9) Uani 1 1 d U . .
C16 C 0.9130(2) 0.4963(3) 0.55419(18) 0.0251(10) Uani 1 1 d U . .
C17 C 0.6841(3) 0.5690(4) 0.5567(2) 0.0484(14) Uani 1 1 d U . .
H17 H 0.6832 0.5911 0.5874 0.058 Uiso 1 1 calc RU . .
C18 C 0.7378(3) 0.5672(4) 0.5457(2) 0.0411(13) Uani 1 1 d U . .
C19 C 0.6566(2) 0.5095(3) 0.4792(2) 0.0339(11) Uani 1 1 d U . .
H19 H 0.6314 0.4820 0.4465 0.041 Uiso 1 1 calc RU . .
C20 C 0.5138(2) 0.4992(3) 0.45684(19) 0.0305(10) Uani 1 1 d U . .
H20 H 0.5233 0.4985 0.4277 0.037 Uiso 1 1 calc RU . .
C21 C 0.5647(2) 0.5166(3) 0.50659(18) 0.0256(10) Uani 1 1 d U . .
C22 C 0.5515(2) 0.5175(3) 0.55036(19) 0.0310(11) Uani 1 1 d U . .
H22 H 0.5859 0.5291 0.5841 0.037 Uiso 1 1 calc RU . .
C23 C 0.9544(2) 0.3239(3) 0.85273(18) 0.0345(11) Uani 1 1 d U . .
H23 H 1.0001 0.3270 0.8612 0.041 Uiso 1 1 calc RU . .
C24 C 0.9026(2) 0.3414(3) 0.80522(18) 0.0339(11) Uani 1 1 d U . .
H24 H 0.9067 0.3590 0.7750 0.041 Uiso 1 1 calc RU . .
C25 C 0.8597(2) 0.3052(3) 0.85739(18) 0.0302(10) Uani 1 1 d U . .
H25 H 0.8291 0.2928 0.8709 0.036 Uiso 1 1 calc RU . .
C26 C 0.9633(2) 0.2756(3) 0.94103(17) 0.0252(10) Uani 1 1 d U . .
C27 C 0.9347(2) 0.2929(3) 0.97493(19) 0.0320(11) Uani 1 1 d U . .
C29 C 1.0330(2) 0.2264(3) 1.04618(17) 0.0274(10) Uani 1 1 d U . .
C30 C 1.0613(2) 0.2121(3) 1.01208(18) 0.0292(10) Uani 1 1 d U . .
H30 H 1.1040 0.1861 1.0245 0.035 Uiso 1 1 calc RU . .
C31 C 1.0262(2) 0.2363(3) 0.95925(17) 0.0271(10) Uani 1 1 d U . .
H31 H 1.0450 0.2260 0.9360 0.032 Uiso 1 1 calc RU . .
C32 C 1.0393(2) 0.1740(3) 1.13335(19) 0.0311(11) Uani 1 1 d U . .
H32 H 0.9936 0.1677 1.1239 0.037 Uiso 1 1 calc RU . .
C33 C 1.0909(2) 0.1583(3) 1.1814(2) 0.0302(11) Uani 1 1 d U . .
C34 C 1.1348(2) 0.2002(3) 1.13100(18) 0.0272(10) Uani 1 1 d U . .
H34 H 1.1661 0.2152 1.1184 0.033 Uiso 1 1 calc RU . .
O17W O 0.5025(4) 0.5884(5) 0.6894(5) 0.098(4) Uani 0.50 1 d PD . .
H17A H 0.4972 0.5823 0.6580 0.147 Uiso 0.50 1 d PRD . .
H17B H 0.5434(16) 0.578(11) 0.7031(12) 0.147 Uiso 0.50 1 d PD . .
O18W O 0.6778(4) 0.7563(4) 0.4670(3) 0.0458(18) Uani 0.50 1 d PGU . .
H18A H 0.6618 0.7478 0.4892 0.069 Uiso 0.50 1 d PGU . .
H18B H 0.6620 0.8059 0.4501 0.069 Uiso 0.50 1 d PGU . .
O16W O 0.3849(3) 0.6863(4) 0.6224(3) 0.1083(19) Uani 1 1 d DU . .
O14W O 0.2655(2) 0.6910(3) 0.44456(18) 0.0578(11) Uani 1 1 d D . .
H14A H 0.234(3) 0.694(5) 0.4144(14) 0.087 Uiso 1 1 d D . .
H14B H 0.240(3) 0.704(4) 0.458(3) 0.087 Uiso 1 1 d D . .
O15W O 0.3646(3) 0.4137(3) 0.3092(2) 0.119(2) Uani 1 1 d DU . .
C1 C 0.9701(2) 0.2677(3) 1.02836(19) 0.0327(11) Uani 1 1 d U . .
C1A C 0.8949(2) 0.4984(3) 0.65821(17) 0.0213(9) Uani 1 1 d U . .
H15A H 0.353(4) 0.4680(17) 0.299(3) 0.130(17) Uiso 1 1 d DU . .
H15B H 0.347(4) 0.370(3) 0.288(2) 0.119(17) Uiso 1 1 d DU . .
H27 H 0.895(2) 0.331(3) 0.9609(19) 0.040(12) Uiso 1 1 d U . .
H1 H 0.949(2) 0.286(3) 1.0482(18) 0.031(11) Uiso 1 1 d U . .
H1A H 0.9117(19) 0.450(2) 0.6498(15) 0.015(9) Uiso 1 1 d U . .
H33 H 1.090(2) 0.144(3) 1.2132(18) 0.032(11) Uiso 1 1 d U . .
H9WB H 0.8328(10) 0.374(3) 0.5043(16) 0.030(12) Uiso 1 1 d DU . .
H16A H 0.381(4) 0.739(3) 0.632(4) 0.169(18) Uiso 1 1 d DU . .
H16B H 0.421(3) 0.657(5) 0.638(4) 0.179(19) Uiso 1 1 d DU . .
H11A H 0.727(2) 0.636(5) 0.4012(17) 0.11(2) Uiso 1 1 d DU . .
H11B H 0.746(4) 0.677(4) 0.445(3) 0.12(2) Uiso 1 1 d DU . .
H18 H 0.774(3) 0.585(3) 0.562(2) 0.055(14) Uiso 1 1 d U . .
O20W O 0.4593(7) 0.4128(8) 0.6985(8) 0.127(6) Uani 0.596(19) 1 d PU A 2
O19W O 0.4187(10) 0.4362(9) 0.6506(9) 0.096(6) Uani 0.404(19) 1 d PU A 1
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'
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'
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
O2 Ni1 O3 178.99(12) . 4_646
O2 Ni1 N6 90.08(13) . 8_455
O3 Ni1 N6 89.07(13) 4_646 8_455
O2 Ni1 N3 90.08(13) . .
O3 Ni1 N3 90.79(13) 4_646 .
N6 Ni1 N3 178.59(14) 8_455 .
O2 Ni1 O13W 88.66(11) . .
O3 Ni1 O13W 90.75(11) 4_646 .
N6 Ni1 O13W 87.07(13) 8_455 .
N3 Ni1 O13W 94.34(12) . .
O2 Ni1 O12W 90.99(11) . .
O3 Ni1 O12W 89.60(11) 4_646 .
N6 Ni1 O12W 93.14(13) 8_455 .
N3 Ni1 O12W 85.45(12) . .
O13W Ni1 O12W 179.60(11) . .
N1 Ni2 O6 175.27(14) . 5_766
N1 Ni2 O7 90.58(13) . .
O6 Ni2 O7 85.17(12) 5_766 .
N1 Ni2 O10W 92.75(14) . .
O6 Ni2 O10W 91.42(12) 5_766 .
O7 Ni2 O10W 175.96(12) . .
N1 Ni2 O9W 89.39(14) . .
O6 Ni2 O9W 92.97(13) 5_766 .
O7 Ni2 O9W 93.96(12) . .
O10W Ni2 O9W 88.36(13) . .
N1 Ni2 O11W 88.84(15) . .
O6 Ni2 O11W 89.12(13) 5_766 .
O7 Ni2 O11W 90.47(13) . .
O10W Ni2 O11W 87.31(14) . .
O9W Ni2 O11W 175.24(14) . .
C13 O2 Ni1 133.7(3) . .
C14 O3 Ni1 133.3(3) . 4_656
C15 O6 Ni2 131.7(3) . 5_766
C16 O7 Ni2 121.3(3) . .
C19 N1 C18 105.1(4) . .
C19 N1 Ni2 126.7(3) . .
C18 N1 Ni2 128.1(3) . .
C19 N2 C17 106.1(4) . .
C19 N2 C21 126.5(4) . .
C17 N2 C21 127.3(4) . .
C25 N3 C24 104.8(4) . .
C25 N3 Ni1 127.6(3) . .
C24 N3 Ni1 126.8(3) . .
C25 N4 C23 106.6(4) . .
C25 N4 C26 126.8(4) . .
C23 N4 C26 126.6(4) . .
C34 N5 C32 106.7(4) . .
C34 N5 C29 126.3(4) . .
C32 N5 C29 126.9(4) . .
C34 N6 C33 104.8(4) . .
C34 N6 Ni1 127.9(3) . 8_556
C33 N6 Ni1 127.1(3) . 8_556
C1A C2 C3 118.8(4) . .
C1A C2 C13 122.6(3) . .
C3 C2 C13 118.6(4) . .
C2 C3 C4 120.6(4) . .
C3 C4 C5 118.9(3) . .
C3 C4 C14 118.0(4) . .
C5 C4 C14 123.1(3) . .
C6 C5 C4 121.2(4) . .
C5 C6 C1A 118.6(4) . .
C5 C6 C7 122.1(3) . .
C1A C6 C7 119.2(3) . .
C12 C7 C8 119.7(4) . .
C12 C7 C6 121.4(4) . .
C8 C7 C6 118.7(4) . .
C9 C8 C7 120.4(4) . .
C8 C9 C10 120.1(4) . .
C11 C10 C9 119.5(4) . .
C11 C10 C15 119.9(4) . .
C9 C10 C15 120.5(4) . .
C10 C11 C12 120.5(4) . .
C7 C12 C11 119.8(4) . .
C7 C12 C16 121.6(4) . .
C11 C12 C16 118.4(4) . .
O2 C13 O1 124.8(4) . .
O2 C13 C2 115.6(4) . .
O1 C13 C2 119.6(4) . .
O3 C14 O4 124.8(4) . .
O3 C14 C4 115.8(3) . .
O4 C14 C4 119.4(4) . .
O6 C15 O5 124.3(4) . .
O6 C15 C10 118.3(4) . .
O5 C15 C10 117.4(4) . .
O8 C16 O7 125.9(4) . .
O8 C16 C12 115.4(4) . .
O7 C16 C12 118.7(4) . .
C18 C17 N2 105.9(5) . .
N1 C18 C17 110.5(5) . .
N1 C19 N2 112.3(4) . .
C21 C20 C22 120.7(4) . 5_666
C20 C21 C22 120.3(4) . .
C20 C21 N2 120.1(4) . .
C22 C21 N2 119.6(4) . .
C21 C22 C20 119.0(4) . 5_666
C24 C23 N4 106.7(4) . .
C23 C24 N3 110.0(4) . .
N3 C25 N4 111.9(4) . .
C31 C26 C27 121.1(4) . .
C31 C26 N4 119.8(4) . .
C27 C26 N4 119.1(4) . .
C26 C27 C1 118.8(4) . .
C30 C29 C1 120.6(4) . .
C30 C29 N5 121.1(4) . .
C1 C29 N5 118.3(4) . .
C29 C30 C31 119.7(4) . .
C26 C31 C30 120.1(4) . .
C33 C32 N5 106.2(4) . .
C32 C33 N6 110.6(4) . .
N6 C34 N5 111.7(4) . .
C29 C1 C27 119.7(5) . .
C6 C1A C2 122.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O2 2.019(3) .
Ni1 O3 2.044(3) 4_646
Ni1 N6 2.070(4) 8_455
Ni1 N3 2.089(4) .
Ni1 O13W 2.106(3) .
Ni1 O12W 2.113(3) .
Ni2 N1 2.054(4) .
Ni2 O6 2.060(3) 5_766
Ni2 O7 2.075(3) .
Ni2 O10W 2.090(3) .
Ni2 O9W 2.095(3) .
Ni2 O11W 2.142(4) .
O1 C13 1.260(5) .
O2 C13 1.245(5) .
O3 C14 1.250(5) .
O3 Ni1 2.044(3) 4_656
O4 C14 1.257(5) .
O5 C15 1.272(5) .
O6 C15 1.244(5) .
O6 Ni2 2.060(3) 5_766
O7 C16 1.270(5) .
O8 C16 1.236(5) .
N1 C19 1.307(5) .
N1 C18 1.350(6) .
N2 C19 1.344(5) .
N2 C17 1.364(6) .
N2 C21 1.426(5) .
N3 C25 1.315(5) .
N3 C24 1.377(5) .
N4 C25 1.348(5) .
N4 C23 1.364(6) .
N4 C26 1.434(5) .
N5 C34 1.343(5) .
N5 C32 1.370(6) .
N5 C29 1.433(5) .
N6 C34 1.324(5) .
N6 C33 1.366(6) .
N6 Ni1 2.070(4) 8_556
C2 C1A 1.386(6) .
C2 C3 1.388(5) .
C2 C13 1.496(5) .
C3 C4 1.396(5) .
C4 C5 1.398(5) .
C4 C14 1.502(5) .
C5 C6 1.380(5) .
C6 C1A 1.383(5) .
C6 C7 1.505(5) .
C7 C12 1.382(6) .
C7 C8 1.401(6) .
C8 C9 1.388(6) .
C9 C10 1.390(6) .
C10 C11 1.388(6) .
C10 C15 1.503(5) .
C11 C12 1.403(5) .
C12 C16 1.510(6) .
C17 C18 1.354(7) .
C20 C21 1.375(6) .
C20 C22 1.391(6) 5_666
C21 C22 1.384(6) .
C22 C20 1.391(6) 5_666
C23 C24 1.343(6) .
C26 C31 1.375(6) .
C26 C27 1.381(6) .
C27 C1 1.399(6) .
C29 C30 1.374(6) .
C29 C1 1.389(6) .
C30 C31 1.381(6) .
C32 C33 1.346(6) .
