#------------------------------------------------------------------------------
#$Date: 2017-02-04 15:49:48 +0200 (Sat, 04 Feb 2017) $
#$Revision: 191595 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/12/7041293.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_7041293
loop_
_publ_author_name
'Zhou, Xinhui'
'Chen, Qianqian'
'Liu, Baolin'
'Li, Liang'
'Yang, Tao'
'Huang, Wei'
_publ_section_title
;
 Syntheses, structures and magnetic properties of nine coordination
 polymers based on terphenyl-tetracarboxylic acid ligands.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              430
_journal_page_last               444
_journal_paper_doi               10.1039/c6dt04270h
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C49 H45 N Ni4 O25'
_chemical_formula_weight         1282.70
_chemical_name_systematic
; 
 ? 
;
_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
_audit_update_record
;
2016-04-19 deposited with the CCDC.
2016-11-30 downloaded from the CCDC.
;
_cell_angle_alpha                92.575(11)
_cell_angle_beta                 109.114(11)
_cell_angle_gamma                109.752(12)
_cell_formula_units_Z            1
_cell_length_a                   10.282(5)
_cell_length_b                   11.261(5)
_cell_length_c                   12.171(4)
_cell_measurement_reflns_used    1904
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.3
_cell_measurement_theta_min      2.1
_cell_volume                     1233.9(9)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_av_sigmaI/netI    0.1142
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7261
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    1.597
_exptl_absorpt_correction_T_max  0.8566
_exptl_absorpt_correction_T_min  0.8315
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             658
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.815
_refine_diff_density_min         -0.675
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         4292
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1066
_refine_ls_R_factor_gt           0.0557
_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)+(0.0462P)²+2.0845P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1097
_refine_ls_wR_factor_ref         0.1302
_reflns_number_gt                2766
_reflns_number_total             4292
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt04270h2.cif
_cod_data_source_block           9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7041290--7041299.cif.
;
_cod_original_cell_volume        1233.8(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7041293
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
Ni1 Ni 0.5000 0.5000 0.5000 0.0141(3) Uani 1 2 d S . .
Ni2 Ni 0.79181(8) 0.52637(7) 0.70290(7) 0.0123(2) Uani 1 1 d . . .
Ni3 Ni 1.0000 0.5000 1.0000 0.0172(3) Uani 1 2 d S . .
C1 C 1.5222(7) 1.4488(6) 0.7688(6) 0.0211(16) Uani 1 1 d . . .
C2 C 1.3689(7) 1.3614(6) 0.7518(6) 0.0192(15) Uani 1 1 d . . .
C3 C 1.3146(7) 1.3742(7) 0.8418(6) 0.0244(16) Uani 1 1 d . . .
H3 H 1.3735 1.4372 0.9084 0.029 Uiso 1 1 calc R . .
C4 C 1.1767(7) 1.2952(6) 0.8323(6) 0.0236(16) Uani 1 1 d . . .
H4 H 1.1426 1.3055 0.8927 0.028 Uiso 1 1 calc R . .
C5 C 1.2813(7) 1.2648(6) 0.6560(6) 0.0213(15) Uani 1 1 d . . .
H5 H 1.3163 1.2543 0.5962 0.026 Uiso 1 1 calc R . .
C6 C 1.1421(7) 1.1833(6) 0.6472(6) 0.0231(16) Uani 1 1 d . . .
H6 H 1.0860 1.1173 0.5825 0.028 Uiso 1 1 calc R . .
C7 C 1.0840(6) 1.1980(6) 0.7330(5) 0.0157(14) Uani 1 1 d . . .
C8 C 0.9318(6) 1.1120(6) 0.7213(5) 0.0160(14) Uani 1 1 d . . .
C9 C 0.8879(7) 0.9797(6) 0.6896(5) 0.0171(14) Uani 1 1 d . . .
H9 H 0.9565 0.9478 0.6794 0.021 Uiso 1 1 calc R . .
C10 C 0.7462(6) 0.8934(6) 0.6724(5) 0.0144(14) Uani 1 1 d . . .
C11 C 0.7117(6) 0.7524(6) 0.6425(5) 0.0159(14) Uani 1 1 d . . .
C12 C 0.8239(6) 1.1566(6) 0.7359(5) 0.0140(14) Uani 1 1 d . . .
C13 C 0.8502(6) 1.2946(6) 0.7752(6) 0.0144(14) Uani 1 1 d . . .
C14 C 0.6825(7) 1.0709(6) 0.7152(5) 0.0175(14) Uani 1 1 d . . .
H14 H 0.6122 1.1027 0.7216 0.021 Uiso 1 1 calc R . .
C15 C 0.6400(6) 0.9396(6) 0.6853(5) 0.0156(14) Uani 1 1 d . . .
C16 C 0.4873(7) 0.8560(6) 0.6703(6) 0.0171(14) Uani 1 1 d . . .
C17 C 0.4573(7) 0.7627(6) 0.7376(6) 0.0226(16) Uani 1 1 d . . .
H17 H 0.5355 0.7495 0.7936 0.027 Uiso 1 1 calc R . .
C18 C 0.3118(7) 0.6876(6) 0.7234(6) 0.0232(16) Uani 1 1 d . . .
H18 H 0.2932 0.6249 0.7694 0.028 Uiso 1 1 calc R . .
C19 C 0.3688(7) 0.8746(7) 0.5868(6) 0.0299(18) Uani 1 1 d . . .
H19 H 0.3873 0.9386 0.5419 0.036 Uiso 1 1 calc R . .
C20 C 0.2244(7) 0.7991(7) 0.5702(6) 0.0331(19) Uani 1 1 d . . .
H20 H 0.1465 0.8101 0.5117 0.040 Uiso 1 1 calc R . .
C21 C 0.1942(7) 0.7076(6) 0.6392(6) 0.0208(15) Uani 1 1 d . . .
C22 C 0.0371(7) 0.6303(6) 0.6220(6) 0.0204(15) Uani 1 1 d . . .
O1 O 1.6062(5) 1.5019(6) 0.8720(4) 0.0462(16) Uani 1 1 d . . .
O2 O 1.5655(4) 1.4623(4) 0.6821(4) 0.0171(10) Uani 1 1 d . . .
O3 O 0.5896(4) 0.6876(4) 0.5622(4) 0.0169(10) Uani 1 1 d . . .
O4 O 0.8084(4) 0.7112(4) 0.6981(4) 0.0198(10) Uani 1 1 d . . .
O5 O 0.9265(5) 1.3399(4) 0.8816(4) 0.0291(12) Uani 1 1 d . . .
O6 O 0.7848(5) 1.3468(4) 0.7003(4) 0.0257(11) Uani 1 1 d . . .
O7 O -0.0592(5) 0.6175(5) 0.5199(4) 0.0336(13) Uani 1 1 d . . .
O8 O 0.0068(4) 0.5855(4) 0.7067(4) 0.0201(11) Uani 1 1 d . . .
O9 O 0.6970(4) 0.4832(4) 0.5193(3) 0.0176(10) Uani 1 1 d . . .
H9A H 0.7236 0.4193 0.5265 0.021 Uiso 1 1 d R . .
H9B H 0.7379 0.5278 0.4767 0.021 Uiso 1 1 d R . .
O10 O 0.8678(4) 0.5813(4) 0.8855(3) 0.0178(10) Uani 1 1 d . . .
H10A H 0.9236 0.6488 0.9365 0.021 Uiso 1 1 d R . .
H10B H 0.7804 0.5619 0.8855 0.021 Uiso 1 1 d R . .
O11 O 1.1641(5) 0.5909(5) 0.9382(4) 0.0306(12) Uani 1 1 d . . .
H11A H 1.2445 0.5890 0.9345 0.037 Uiso 1 1 d R . .
H11B H 1.1098 0.5936 0.8694 0.037 Uiso 1 1 d R . .
O12 O 0.9899(9) 0.8481(7) 0.9443(7) 0.118(3) Uani 1 1 d . . .
H12A H 1.0515 0.8968 0.9176 0.141 Uiso 1 1 d R . .
H12B H 0.9172 0.8725 0.9296 0.141 Uiso 1 1 d R . .
O13 O 0.7302(13) 1.1549(11) 0.0106(12) 0.085(5) Uani 0.50 1 d PDU A -1
N1 N 0.4676(11) 1.0208(14) -0.0265(16) 0.076(6) Uani 0.50 1 d PDU A -1
C23 C 0.6454(14) 0.9436(14) 0.0930(15) 0.129(7) Uani 0.75 1 d PDU A -1
H23A H 0.7114 0.9099 0.0727 0.155 Uiso 0.50 1 d PR A -1
H23B H 0.6914 0.9809 0.1763 0.155 Uiso 0.50 1 d PR A -1
H23C H 0.7385 1.0121 0.1072 0.155 Uiso 0.25 1 d PR A -1
H23D H 0.6358 0.9263 0.1671 0.155 Uiso 0.25 1 d PR A -1
H23E H 0.6417 0.8680 0.0502 0.155 Uiso 0.25 1 d PR A -1
C24 C 0.5287(15) 0.8558(12) 0.0742(15) 0.103(6) Uani 0.75 1 d PDU A -1
H24A H 0.5195 0.8344 0.1483 0.123 Uiso 0.50 1 d PR A -1
H24B H 0.5209 0.7801 0.0272 0.123 Uiso 0.50 1 d PR A -1
H24C H 0.4280 0.7972 0.0527 0.123 Uiso 0.25 1 d PR A -1
H24D H 0.5815 0.8173 0.0418 0.123 Uiso 0.25 1 d PR A -1
H24E H 0.5756 0.8756 0.1587 0.123 Uiso 0.25 1 d PR A -1
C25 C 0.6245(11) 1.0489(15) 0.018(2) 0.072(8) Uani 0.50 1 d PDU A -1
C26 C 0.406(3) 0.908(2) 0.006(2) 0.064(6) Uani 0.50 1 d PU A -1
H26A H 0.3349 0.8456 -0.0632 0.077 Uiso 0.50 1 calc PR A -1
H26B H 0.3543 0.9201 0.0569 0.077 Uiso 0.50 1 calc PR 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'
O O 0.0106 0.0060 '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'
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
O3 Ni1 O3 180.000(1) 2_666 .
O3 Ni1 O9 85.29(16) 2_666 .
O3 Ni1 O9 94.71(16) . .
O3 Ni1 O9 94.71(16) 2_666 2_666
O3 Ni1 O9 85.29(16) . 2_666
O9 Ni1 O9 180.0(2) . 2_666
O3 Ni1 O2 90.27(16) 2_666 1_445
O3 Ni1 O2 89.73(16) . 1_445
O9 Ni1 O2 79.71(15) . 1_445
O9 Ni1 O2 100.29(15) 2_666 1_445
O3 Ni1 O2 89.73(16) 2_666 2_776
O3 Ni1 O2 90.27(16) . 2_776
O9 Ni1 O2 100.29(15) . 2_776
O9 Ni1 O2 79.71(15) 2_666 2_776
O2 Ni1 O2 180.000(1) 1_445 2_776
O6 Ni2 O4 175.76(19) 1_545 .
O6 Ni2 O8 89.31(19) 1_545 1_655
O4 Ni2 O8 87.23(17) . 1_655
O6 Ni2 O9 87.52(18) 1_545 .
O4 Ni2 O9 90.28(17) . .
O8 Ni2 O9 94.01(16) 1_655 .
O6 Ni2 O10 97.80(18) 1_545 .
O4 Ni2 O10 84.72(17) . .
O8 Ni2 O10 91.10(16) 1_655 .
O9 Ni2 O10 172.67(17) . .
O6 Ni2 O2 90.38(18) 1_545 1_445
O4 Ni2 O2 92.84(17) . 1_445
O8 Ni2 O2 174.79(16) 1_655 1_445
O9 Ni2 O2 80.78(15) . 1_445
O10 Ni2 O2 94.10(16) . 1_445
O5 Ni3 O5 180.000(2) 1_545 2_777
O5 Ni3 O11 88.1(2) 1_545 2_767
O5 Ni3 O11 91.9(2) 2_777 2_767
O5 Ni3 O11 91.9(2) 1_545 .
O5 Ni3 O11 88.1(2) 2_777 .
O11 Ni3 O11 180.000(1) 2_767 .
O5 Ni3 O10 86.60(17) 1_545 2_767
O5 Ni3 O10 93.40(17) 2_777 2_767
O11 Ni3 O10 87.71(17) 2_767 2_767
O11 Ni3 O10 92.29(17) . 2_767
O5 Ni3 O10 93.40(17) 1_545 .
O5 Ni3 O10 86.60(17) 2_777 .
O11 Ni3 O10 92.29(17) 2_767 .
O11 Ni3 O10 87.71(17) . .
O10 Ni3 O10 180.000(1) 2_767 .
O1 C1 O2 122.4(6) . .
O1 C1 C2 116.8(6) . .
O2 C1 C2 120.7(6) . .
C5 C2 C3 118.5(6) . .
C5 C2 C1 123.5(6) . .
C3 C2 C1 118.0(6) . .
C4 C3 C2 120.6(6) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C3 C4 C7 121.5(6) . .
C3 C4 H4 119.2 . .
C7 C4 H4 119.2 . .
C2 C5 C6 121.0(6) . .
C2 C5 H5 119.5 . .
C6 C5 H5 119.5 . .
C5 C6 C7 121.3(6) . .
C5 C6 H6 119.3 . .
C7 C6 H6 119.3 . .
C6 C7 C4 117.0(6) . .
C6 C7 C8 121.1(5) . .
C4 C7 C8 121.8(5) . .
C9 C8 C12 116.7(5) . .
C9 C8 C7 119.4(6) . .
C12 C8 C7 123.9(6) . .
C10 C9 C8 122.9(6) . .
C10 C9 H9 118.5 . .
C8 C9 H9 118.5 . .
C9 C10 C15 119.5(6) . .
C9 C10 C11 118.8(5) . .
C15 C10 C11 121.7(5) . .
O4 C11 O3 126.1(6) . .
O4 C11 C10 117.0(5) . .
O3 C11 C10 116.9(6) . .
C14 C12 C8 119.9(6) . .
C14 C12 C13 114.8(5) . .
C8 C12 C13 125.2(5) . .
O6 C13 O5 127.5(6) . .
O6 C13 C12 116.3(5) . .
O5 C13 C12 116.0(6) . .
C12 C14 C15 123.1(6) . .
C12 C14 H14 118.5 . .
C15 C14 H14 118.5 . .
C14 C15 C10 117.7(5) . .
C14 C15 C16 118.6(5) . .
C10 C15 C16 123.6(6) . .
C17 C16 C19 118.6(6) . .
C17 C16 C15 122.7(6) . .
C19 C16 C15 118.7(6) . .
C16 C17 C18 121.3(6) . .
C16 C17 H17 119.4 . .
C18 C17 H17 119.4 . .
C17 C18 C21 119.4(6) . .
C17 C18 H18 120.3 . .
C21 C18 H18 120.3 . .
C20 C19 C16 120.7(6) . .
C20 C19 H19 119.7 . .
C16 C19 H19 119.7 . .
C21 C20 C19 120.7(7) . .
C21 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
C20 C21 C18 119.3(6) . .
C20 C21 C22 119.6(6) . .
C18 C21 C22 121.1(6) . .
O8 C22 O7 124.3(6) . .
O8 C22 C21 119.5(6) . .
O7 C22 C21 116.1(6) . .
C1 O2 Ni2 122.7(4) . 1_665
C1 O2 Ni1 141.9(4) . 1_665
Ni2 O2 Ni1 92.22(15) 1_665 1_665
C11 O3 Ni1 129.5(4) . .
C11 O4 Ni2 128.8(4) . .
C13 O5 Ni3 140.8(4) . 1_565
C13 O6 Ni2 132.2(4) . 1_565
C22 O8 Ni2 120.2(4) . 1_455
Ni1 O9 Ni2 98.07(16) . .
Ni1 O9 H9A 131.7 . .
Ni2 O9 H9A 85.3 . .
Ni1 O9 H9B 111.0 . .
Ni2 O9 H9B 121.3 . .
H9A O9 H9B 107.7 . .
Ni2 O10 Ni3 121.3(2) . .
Ni2 O10 H10A 137.7 . .
Ni3 O10 H10A 82.9 . .
Ni2 O10 H10B 92.7 . .
Ni3 O10 H10B 115.9 . .
H10A O10 H10B 107.7 . .
Ni3 O11 H11A 141.5 . .
Ni3 O11 H11B 98.5 . .
H11A O11 H11B 107.7 . .
H12A O12 H12B 107.7 . .
C26 N1 C25 105.3(11) . .
C24 C23 C25 111.7(6) . .
C24 C23 H23A 108.4 . .
C25 C23 H23A 108.8 . .
C24 C23 H23B 110.1 . .
C25 C23 H23B 109.8 . .
H23A C23 H23B 107.9 . .
C24 C23 H23C 178.9 . .
C25 C23 H23C 68.7 . .
H23A C23 H23C 70.5 . .
H23B C23 H23C 70.6 . .
C24 C23 H23D 71.1 . .
C25 C23 H23D 133.5 . .
H23A C23 H23D 114.0 . .
H23C C23 H23D 109.5 . .
C24 C23 H23E 69.4 . .
C25 C23 H23E 114.7 . .
H23B C23 H23E 131.8 . .
H23C C23 H23E 109.5 . .
H23D C23 H23E 109.5 . .
C23 C24 C26 104.8(10) . .
C23 C24 H24A 110.0 . .
C26 C24 H24A 110.7 . .
C23 C24 H24B 111.6 . .
C26 C24 H24B 111.0 . .
C23 C24 H24C 169.2 . .
C26 C24 H24C 64.5 . .
H24A C24 H24C 75.2 . .
H24B C24 H24C 74.3 . .
C23 C24 H24D 76.9 . .
C26 C24 H24D 127.8 . .
H24A C24 H24D 117.6 . .
H24C C24 H24D 109.5 . .
C23 C24 H24E 75.3 . .
C26 C24 H24E 121.6 . .
H24B C24 H24E 123.2 . .
H24C C24 H24E 109.5 . .
H24D C24 H24E 109.5 . .
O13 C25 N1 126.3(5) . .
O13 C25 C23 127.8(5) . .
N1 C25 C23 105.2(5) . .
N1 C26 C24 111.0(16) . .
N1 C26 H26A 109.4 . .
C24 C26 H26A 109.4 . .
H24C C26 H26A 84.0 . .
N1 C26 H26B 109.4 . .
C24 C26 H26B 109.4 . .
H26A C26 H26B 108.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O3 1.992(4) 2_666
Ni1 O3 1.992(4) .
Ni1 O9 2.036(4) .
Ni1 O9 2.036(4) 2_666
Ni1 O2 2.201(4) 1_445
Ni1 O2 2.201(4) 2_776
Ni2 O6 1.998(5) 1_545
Ni2 O4 2.035(4) .
Ni2 O8 2.066(4) 1_655
Ni2 O9 2.082(4) .
Ni2 O10 2.084(4) .
Ni2 O2 2.113(4) 1_445
Ni3 O5 2.007(4) 1_545
Ni3 O5 2.007(4) 2_777
Ni3 O11 2.048(4) 2_767
Ni3 O11 2.048(4) .
Ni3 O10 2.084(4) 2_767
Ni3 O10 2.084(4) .
C1 O1 1.247(7) .
C1 O2 1.269(7) .
C1 C2 1.488(8) .
C2 C5 1.375(8) .
C2 C3 1.405(9) .
C3 C4 1.359(8) .
C3 H3 0.9300 .
C4 C7 1.410(8) .
C4 H4 0.9300 .
C5 C6 1.380(8) .
C5 H5 0.9300 .
C6 C7 1.392(8) .
C6 H6 0.9300 .
C7 C8 1.491(8) .
C8 C9 1.398(8) .
C8 C12 1.418(8) .
C9 C10 1.391(8) .
C9 H9 0.9300 .
C10 C15 1.406(8) .
C10 C11 1.504(8) .
C11 O4 1.249(7) .
C11 O3 1.257(7) .
C12 C14 1.378(8) .
C12 C13 1.511(8) .
C13 O6 1.241(7) .
C13 O5 1.248(7) .
C14 C15 1.386(8) .
C14 H14 0.9300 .
C15 C16 1.477(8) .
C16 C17 1.376(9) .
C16 C19 1.394(9) .
C17 C18 1.395(8) .
C17 H17 0.9300 .
C18 C21 1.398(9) .
C18 H18 0.9300 .
C19 C20 1.380(9) .
C19 H19 0.9300 .
C20 C21 1.377(9) .
C20 H20 0.9300 .
C21 C22 1.491(8) .
C22 O8 1.251(7) .
C22 O7 1.276(8) .
O2 Ni2 2.113(4) 1_665
O2 Ni1 2.201(4) 1_665
O5 Ni3 2.007(4) 1_565
O6 Ni2 1.998(4) 1_565
O8 Ni2 2.066(4) 1_455
O9 H9A 0.8499 .
O9 H9B 0.8500 .
O10 H10A 0.8501 .
O10 H10B 0.8500 .
O11 H11A 0.8500 .
O11 H11B 0.8500 .
O12 H12A 0.8500 .
O12 H12B 0.8501 .
O13 C25 1.345(4) .
N1 C26 1.36(2) .
N1 C25 1.436(5) .
C23 C24 1.212(5) .
C23 C25 1.559(5) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C23 H23C 0.9600 .
C23 H23D 0.9600 .
C23 H23E 0.9600 .
C24 C26 1.57(2) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C24 H24C 0.9600 .
C24 H24D 0.9600 .
C24 H24E 0.9600 .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
