#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:30:47 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180042 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/36/7033607.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_7033607
loop_
_publ_author_name
'Zhang, Chuan-Lei'
'Qin, Ling'
'Shi, Zhen-Zhen'
'Zheng, He-Gen'
_publ_section_title
;
 Diverse structures of metal-organic frameworks based on different metal
 ions: luminescence and gas adsorption properties.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4238
_journal_page_last               4245
_journal_paper_doi               10.1039/c4dt03627a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C35 H31 N3 Ni O9'
_chemical_formula_weight         696.34
_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
;
2014-05-07 deposited with the CCDC.
2015-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                70.8350(10)
_cell_angle_beta                 65.6940(10)
_cell_angle_gamma                76.9930(10)
_cell_formula_units_Z            2
_cell_length_a                   11.5007(11)
_cell_length_b                   11.7623(11)
_cell_length_c                   13.8198(13)
_cell_measurement_reflns_used    5437
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      2.54
_cell_volume                     1600.5(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0689
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12668
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    0.668
_exptl_absorpt_correction_T_max  0.8455
_exptl_absorpt_correction_T_min  0.8147
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_density_meas      1.445
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             724
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.955
_refine_diff_density_min         -1.002
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         6421
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0517
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1110P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1559
_refine_ls_wR_factor_ref         0.1642
_reflns_number_gt                5306
_reflns_number_total             6421
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03627a2.cif
_cod_data_source_block           1
_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 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 7033604--7033607.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7033607
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
Ni1 Ni 0.33845(3) 0.36300(3) 0.45094(3) 0.01503(14) Uani 1 1 d .
O1 O 0.36694(19) 0.19241(18) 0.40268(17) 0.0222(4) Uani 1 1 d .
O2 O 0.24997(18) 0.35949(18) 0.35047(17) 0.0210(4) Uani 1 1 d .
O3 O 0.20083(17) 0.28403(17) -0.39661(16) 0.0188(4) Uani 1 1 d .
O4 O 0.39428(18) 0.30363(19) -0.41441(16) 0.0224(4) Uani 1 1 d .
O9 O 0.1804(2) 0.90262(18) 0.59724(19) 0.0262(5) Uani 1 1 d .
O5 O 0.1529(2) 0.0476(2) 0.10091(18) 0.0299(5) Uani 1 1 d .
O8 O 0.81059(19) 0.4360(2) -0.04121(18) 0.0312(5) Uani 1 1 d .
N2 N 0.2643(2) 0.5341(2) 0.4671(2) 0.0183(5) Uani 1 1 d .
N1 N 0.5091(2) 0.4100(2) 0.33041(19) 0.0171(5) Uani 1 1 d .
C11 C 0.2514(3) 0.2114(3) -0.2347(2) 0.0201(6) Uani 1 1 d .
C14 C 0.2846(2) 0.2688(2) -0.3546(2) 0.0180(6) Uani 1 1 d .
C19 C 0.1374(2) 0.7645(2) 0.4864(2) 0.0169(6) Uani 1 1 d .
C1 C 0.2939(3) 0.2497(3) 0.3508(2) 0.0187(6) Uani 1 1 d .
C12 C 0.1310(3) 0.1723(3) -0.1705(2) 0.0222(6) Uani 1 1 d .
H12 H 0.0724 0.1799 -0.2033 0.027 Uiso 1 1 calc R
C2 C 0.2568(3) 0.1923(3) 0.2872(2) 0.0218(6) Uani 1 1 d .
C25 C 0.6159(3) 0.3413(3) 0.3395(2) 0.0205(6) Uani 1 1 d .
H25 H 0.6083 0.2758 0.4011 0.025 Uiso 1 1 calc R
C21 C -0.0243(2) 0.9323(2) 0.4468(2) 0.0177(6) Uani 1 1 d .
H21 H -0.0414 0.8865 0.4115 0.021 Uiso 1 1 calc R
C30 C 0.9696(3) 0.5143(3) 0.1034(2) 0.0213(6) Uani 1 1 d .
H30 H 0.9490 0.5250 0.1726 0.026 Uiso 1 1 calc R
C9 C 0.3056(3) 0.1469(3) -0.0723(3) 0.0260(7) Uani 1 1 d .
H9 H 0.3638 0.1390 -0.0390 0.031 Uiso 1 1 calc R
C20 C 0.0678(3) 0.8861(2) 0.4942(2) 0.0173(6) Uani 1 1 d .
C18 C 0.2699(3) 0.7410(2) 0.4545(2) 0.0184(6) Uani 1 1 d .
H18 H 0.3189 0.8024 0.4386 0.022 Uiso 1 1 calc R
C22 C 0.0914(3) 0.9542(3) 0.5490(2) 0.0187(6) Uani 1 1 d .
C29 C 0.8774(3) 0.4816(3) 0.0801(2) 0.0200(6) Uani 1 1 d .
C24 C 0.5215(3) 0.5042(3) 0.2408(2) 0.0193(6) Uani 1 1 d .
H24 H 0.4482 0.5536 0.2342 0.023 Uiso 1 1 calc R
C10 C 0.3391(3) 0.1982(3) -0.1854(2) 0.0240(6) Uani 1 1 d .
H10 H 0.4203 0.2237 -0.2280 0.029 Uiso 1 1 calc R
C15 C 0.3293(2) 0.6261(3) 0.4465(2) 0.0184(6) Uani 1 1 d .
H15 H 0.4180 0.6123 0.4258 0.022 Uiso 1 1 calc R
C16 C 0.1352(3) 0.5566(3) 0.5005(3) 0.0263(7) Uani 1 1 d .
H16 H 0.0879 0.4931 0.5185 0.032 Uiso 1 1 calc R
C27 C 0.6383(3) 0.5303(3) 0.1585(2) 0.0198(6) Uani 1 1 d .
H27 H 0.6431 0.5957 0.0972 0.024 Uiso 1 1 calc R
C4 C 0.3036(3) 0.0758(3) 0.2788(2) 0.0240(6) Uani 1 1 d .
H4 H 0.3577 0.0297 0.3154 0.029 Uiso 1 1 calc R
C26 C 0.7370(3) 0.3633(3) 0.2612(2) 0.0206(6) Uani 1 1 d .
H26 H 0.8092 0.3149 0.2715 0.025 Uiso 1 1 calc R
C8 C 0.1862(3) 0.1080(3) -0.0104(2) 0.0241(6) Uani 1 1 d .
C28 C 0.7494(3) 0.4583(3) 0.1674(2) 0.0200(6) Uani 1 1 d .
C13 C 0.0972(3) 0.1221(3) -0.0581(3) 0.0251(6) Uani 1 1 d .
H13 H 0.0156 0.0981 -0.0150 0.030 Uiso 1 1 calc R
C5 C 0.2701(3) 0.0266(3) 0.2154(3) 0.0273(7) Uani 1 1 d .
H5 H 0.3017 -0.0518 0.2094 0.033 Uiso 1 1 calc R
C7 C 0.1897(3) 0.0966(3) 0.1621(2) 0.0250(6) Uani 1 1 d .
C3 C 0.1723(3) 0.2594(3) 0.2343(3) 0.0301(7) Uani 1 1 d .
H3 H 0.1377 0.3368 0.2422 0.036 Uiso 1 1 calc R
C17 C 0.0705(3) 0.6677(3) 0.5091(3) 0.0253(7) Uani 1 1 d .
H17 H -0.0183 0.6788 0.5302 0.030 Uiso 1 1 calc R
C32 C 0.8421(3) 0.4007(3) -0.1398(3) 0.0297(7) Uani 1 1 d .
H32A H 0.8696 0.4683 -0.2027 0.044 Uiso 1 1 calc R
H32B H 0.7679 0.3745 -0.1382 0.044 Uiso 1 1 calc R
H32C H 0.9100 0.3355 -0.1445 0.044 Uiso 1 1 calc R
C31 C 0.9074(3) 0.4685(3) -0.0250(2) 0.0217(6) Uani 1 1 d .
C23 C 0.2004(3) 0.9696(3) 0.6573(3) 0.0321(8) Uani 1 1 d .
H23A H 0.2289 1.0461 0.6089 0.048 Uiso 1 1 calc R
H23B H 0.2643 0.9249 0.6872 0.048 Uiso 1 1 calc R
H23C H 0.1214 0.9828 0.7161 0.048 Uiso 1 1 calc R
C6 C 0.1398(3) 0.2124(3) 0.1708(3) 0.0320(7) Uani 1 1 d .
H6 H 0.0853 0.2581 0.1344 0.038 Uiso 1 1 calc R
O6 O 0.5738(2) 0.2341(2) -0.1062(2) 0.0362(6) Uani 1 1 d .
N6 N 0.5890(3) 0.2254(2) 0.0550(2) 0.0305(6) Uani 1 1 d .
C35 C 0.6102(3) 0.1841(3) -0.0297(3) 0.0345(8) Uani 1 1 d .
H35 H 0.6579 0.1091 -0.0309 0.041 Uiso 1 1 calc R
C33 C 0.5164(3) 0.3435(3) 0.0620(3) 0.0370(8) Uani 1 1 d .
H33A H 0.5740 0.4013 0.0443 0.055 Uiso 1 1 calc R
H33B H 0.4546 0.3374 0.1355 0.055 Uiso 1 1 calc R
H33C H 0.4729 0.3692 0.0110 0.055 Uiso 1 1 calc R
O1W O 0.5152(6) 0.0521(5) 0.5503(6) 0.150(2) Uani 1 1 d .
C34 C 0.6430(4) 0.1621(3) 0.1401(3) 0.0392(8) Uani 1 1 d .
H34A H 0.6902 0.0871 0.1259 0.059 Uiso 1 1 calc R
H34B H 0.5748 0.1459 0.2109 0.059 Uiso 1 1 calc R
H34C H 0.6994 0.2116 0.1395 0.059 Uiso 1 1 calc R
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
N1 Ni1 O2 96.99(9) . .
N1 Ni1 N2 96.12(9) . .
O2 Ni1 N2 96.93(8) . .
N1 Ni1 O4 99.19(8) . 1_556
O2 Ni1 O4 157.24(9) . 1_556
N2 Ni1 O4 97.15(9) . 1_556
N1 Ni1 O3 161.57(8) . 1_556
O2 Ni1 O3 98.43(8) . 1_556
N2 Ni1 O3 91.98(9) . 1_556
O4 Ni1 O3 63.29(7) 1_556 1_556
N1 Ni1 O1 89.86(8) . .
O2 Ni1 O1 61.94(7) . .
N2 Ni1 O1 158.66(8) . .
O4 Ni1 O1 102.10(8) 1_556 .
O3 Ni1 O1 88.53(8) 1_556 .
N1 Ni1 C14 130.53(9) . 1_556
O2 Ni1 C14 128.90(9) . 1_556
N2 Ni1 C14 95.52(9) . 1_556
O4 Ni1 C14 31.58(8) 1_556 1_556
O3 Ni1 C14 31.72(8) 1_556 1_556
O1 Ni1 C14 96.07(8) . 1_556
C1 O1 Ni1 84.68(16) . .
C1 O2 Ni1 92.69(16) . .
C14 O3 Ni1 87.52(16) . 1_554
C14 O4 Ni1 89.25(16) . 1_554
C22 O9 C23 116.8(2) . .
C8 O5 C7 115.6(2) . .
C31 O8 C32 118.0(2) . .
C15 N2 C16 116.8(2) . .
C15 N2 Ni1 127.41(18) . .
C16 N2 Ni1 115.80(18) . .
C25 N1 C24 117.8(2) . .
C25 N1 Ni1 117.93(19) . .
C24 N1 Ni1 124.20(17) . .
C12 C11 C10 119.4(3) . .
C12 C11 C14 119.9(2) . .
C10 C11 C14 120.7(3) . .
O4 C14 O3 119.9(3) . .
O4 C14 C11 120.7(2) . .
O3 C14 C11 119.4(2) . .
O4 C14 Ni1 59.18(15) . 1_554
O3 C14 Ni1 60.76(15) . 1_554
C11 C14 Ni1 179.7(2) . 1_554
C18 C19 C17 116.6(2) . .
C18 C19 C20 123.0(2) . .
C17 C19 C20 120.4(2) . .
O1 C1 O2 120.7(2) . .
O1 C1 C2 121.6(2) . .
O2 C1 C2 117.7(2) . .
C13 C12 C11 120.6(3) . .
C13 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C4 C2 C3 119.2(3) . .
C4 C2 C1 122.0(3) . .
C3 C2 C1 118.8(3) . .
N1 C25 C26 122.9(3) . .
N1 C25 H25 118.5 . .
C26 C25 H25 118.5 . .
C20 C21 C22 121.1(3) . 2_576
C20 C21 H21 119.4 . .
C22 C21 H21 119.4 2_576 .
C29 C30 C31 121.1(3) . 2_765
C29 C30 H30 119.4 . .
C31 C30 H30 119.4 2_765 .
C8 C9 C10 119.6(3) . .
C8 C9 H9 120.2 . .
C10 C9 H9 120.2 . .
C21 C20 C22 119.2(2) . .
C21 C20 C19 118.8(2) . .
C22 C20 C19 121.9(2) . .
C15 C18 C19 120.2(3) . .
C15 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
O9 C22 C21 123.6(2) . 2_576
O9 C22 C20 116.7(2) . .
C21 C22 C20 119.6(2) 2_576 .
C30 C29 C31 119.5(3) . .
C30 C29 C28 119.6(3) . .
C31 C29 C28 120.9(3) . .
N1 C24 C27 122.6(2) . .
N1 C24 H24 118.7 . .
C27 C24 H24 118.7 . .
C11 C10 C9 120.1(3) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
N2 C15 C18 122.9(2) . .
N2 C15 H15 118.6 . .
C18 C15 H15 118.6 . .
N2 C16 C17 123.5(3) . .
N2 C16 H16 118.2 . .
C17 C16 H16 118.2 . .
C24 C27 C28 119.6(3) . .
C24 C27 H27 120.2 . .
C28 C27 H27 120.2 . .
C2 C4 C5 120.4(3) . .
C2 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
C25 C26 C28 119.2(2) . .
C25 C26 H26 120.4 . .
C28 C26 H26 120.4 . .
C9 C8 C13 120.9(3) . .
C9 C8 O5 121.3(3) . .
C13 C8 O5 117.7(3) . .
C26 C28 C27 117.8(3) . .
C26 C28 C29 120.5(2) . .
C27 C28 C29 121.7(3) . .
C8 C13 C12 119.3(3) . .
C8 C13 H13 120.3 . .
C12 C13 H13 120.3 . .
C7 C5 C4 118.8(3) . .
C7 C5 H5 120.6 . .
C4 C5 H5 120.6 . .
C5 C7 C6 122.0(3) . .
C5 C7 O5 119.3(3) . .
C6 C7 O5 118.6(3) . .
C6 C3 C2 120.9(3) . .
C6 C3 H3 119.5 . .
C2 C3 H3 119.5 . .
C16 C17 C19 120.1(3) . .
C16 C17 H17 120.0 . .
C19 C17 H17 120.0 . .
O8 C32 H32A 109.5 . .
O8 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
O8 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
O8 C31 C30 124.9(3) . 2_765
O8 C31 C29 115.7(3) . .
C30 C31 C29 119.4(3) 2_765 .
O9 C23 H23A 109.5 . .
O9 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
O9 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C3 C6 C7 118.8(3) . .
C3 C6 H6 120.6 . .
C7 C6 H6 120.6 . .
C35 N6 C33 119.8(3) . .
C35 N6 C34 123.0(3) . .
C33 N6 C34 117.0(3) . .
O6 C35 N6 126.8(3) . .
O6 C35 H35 116.6 . .
N6 C35 H35 116.6 . .
N6 C33 H33A 109.5 . .
N6 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
N6 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
N6 C34 H34A 109.5 . .
N6 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
N6 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N1 2.031(2) .
Ni1 O2 2.0457(19) .
Ni1 N2 2.048(2) .
Ni1 O4 2.072(2) 1_556
Ni1 O3 2.107(2) 1_556
Ni1 O1 2.232(2) .
Ni1 C14 2.412(3) 1_556
O1 C1 1.264(3) .
O2 C1 1.275(3) .
O3 C14 1.269(3) .
O3 Ni1 2.107(2) 1_554
O4 C14 1.263(3) .
O4 Ni1 2.072(2) 1_554
O9 C22 1.370(3) .
O9 C23 1.424(3) .
O5 C8 1.392(4) .
O5 C7 1.396(3) .
O8 C31 1.375(3) .
O8 C32 1.434(4) .
N2 C15 1.340(4) .
N2 C16 1.352(3) .
N1 C25 1.338(3) .
N1 C24 1.343(4) .
C11 C12 1.387(4) .
C11 C10 1.390(4) .
C11 C14 1.486(4) .
C14 Ni1 2.412(3) 1_554
C19 C18 1.389(4) .
C19 C17 1.396(4) .
C19 C20 1.487(4) .
C1 C2 1.496(4) .
C12 C13 1.385(4) .
C12 H12 0.9300 .
C2 C4 1.379(4) .
C2 C3 1.401(4) .
C25 C26 1.385(4) .
C25 H25 0.9300 .
C21 C20 1.388(4) .
C21 C22 1.390(4) 2_576
C21 H21 0.9300 .
C30 C29 1.387(4) .
C30 C31 1.392(4) 2_765
C30 H30 0.9300 .
C9 C8 1.373(4) .
C9 C10 1.395(4) .
C9 H9 0.9300 .
C20 C22 1.398(4) .
C18 C15 1.388(4) .
C18 H18 0.9300 .
C22 C21 1.390(4) 2_576
C29 C31 1.402(4) .
C29 C28 1.483(4) .
C24 C27 1.376(4) .
C24 H24 0.9300 .
C10 H10 0.9300 .
C15 H15 0.9300 .
C16 C17 1.366(4) .
C16 H16 0.9300 .
C27 C28 1.393(4) .
C27 H27 0.9300 .
C4 C5 1.401(4) .
C4 H4 0.9300 .
C26 C28 1.385(4) .
C26 H26 0.9300 .
C8 C13 1.385(4) .
C13 H13 0.9300 .
C5 C7 1.377(4) .
C5 H5 0.9300 .
C7 C6 1.378(5) .
C3 C6 1.377(4) .
C3 H3 0.9300 .
C17 H17 0.9300 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C31 C30 1.392(4) 2_765
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C6 H6 0.9300 .
O6 C35 1.219(4) .
N6 C35 1.323(4) .
N6 C33 1.461(4) .
N6 C34 1.464(4) .
C35 H35 0.9300 .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
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_4
N1 Ni1 O1 C1 -98.77(17) . .
O2 Ni1 O1 C1 -0.77(16) . .
N2 Ni1 O1 C1 7.9(3) . .
O4 Ni1 O1 C1 161.86(16) 1_556 .
O3 Ni1 O1 C1 99.59(16) 1_556 .
C14 Ni1 O1 C1 130.44(17) 1_556 .
N1 Ni1 O2 C1 86.86(17) . .
N2 Ni1 O2 C1 -176.07(17) . .
O4 Ni1 O2 C1 -48.2(3) 1_556 .
O3 Ni1 O2 C1 -83.02(17) 1_556 .
O1 Ni1 O2 C1 0.76(16) . .
C14 Ni1 O2 C1 -73.20(19) 1_556 .
N1 Ni1 N2 C15 -27.8(2) . .
O2 Ni1 N2 C15 -125.6(2) . .
O4 Ni1 N2 C15 72.3(2) 1_556 .
O3 Ni1 N2 C15 135.6(2) 1_556 .
O1 Ni1 N2 C15 -133.3(2) . .
C14 Ni1 N2 C15 104.0(2) 1_556 .
N1 Ni1 N2 C16 150.9(2) . .
O2 Ni1 N2 C16 53.0(2) . .
O4 Ni1 N2 C16 -109.0(2) 1_556 .
O3 Ni1 N2 C16 -45.7(2) 1_556 .
O1 Ni1 N2 C16 45.3(4) . .
C14 Ni1 N2 C16 -77.3(2) 1_556 .
O2 Ni1 N1 C25 -127.1(2) . .
N2 Ni1 N1 C25 135.1(2) . .
O4 Ni1 N1 C25 36.8(2) 1_556 .
O3 Ni1 N1 C25 19.5(4) 1_556 .
O1 Ni1 N1 C25 -65.4(2) . .
C14 Ni1 N1 C25 32.5(3) 1_556 .
O2 Ni1 N1 C24 51.3(2) . .
N2 Ni1 N1 C24 -46.5(2) . .
O4 Ni1 N1 C24 -144.8(2) 1_556 .
O3 Ni1 N1 C24 -162.1(2) 1_556 .
O1 Ni1 N1 C24 113.0(2) . .
C14 Ni1 N1 C24 -149.1(2) 1_556 .
Ni1 O4 C14 O3 -0.5(3) 1_554 .
Ni1 O4 C14 C11 -179.7(2) 1_554 .
Ni1 O3 C14 O4 0.5(3) 1_554 .
Ni1 O3 C14 C11 179.7(2) 1_554 .
C12 C11 C14 O4 -179.2(3) . .
C10 C11 C14 O4 1.9(4) . .
C12 C11 C14 O3 1.6(4) . .
C10 C11 C14 O3 -177.2(3) . .
C12 C11 C14 Ni1 115(38) . 1_554
C10 C11 C14 Ni1 -63(38) . 1_554
Ni1 O1 C1 O2 1.3(3) . .
Ni1 O1 C1 C2 -179.2(3) . .
Ni1 O2 C1 O1 -1.4(3) . .
Ni1 O2 C1 C2 179.1(2) . .
C10 C11 C12 C13 0.9(4) . .
C14 C11 C12 C13 -178.0(3) . .
O1 C1 C2 C4 -2.3(4) . .
O2 C1 C2 C4 177.2(3) . .
O1 C1 C2 C3 178.0(3) . .
O2 C1 C2 C3 -2.5(4) . .
C24 N1 C25 C26 0.1(4) . .
Ni1 N1 C25 C26 178.6(2) . .
C22 C21 C20 C22 1.3(5) 2_576 .
C22 C21 C20 C19 -179.5(3) 2_576 .
C18 C19 C20 C21 132.4(3) . .
C17 C19 C20 C21 -46.1(4) . .
C18 C19 C20 C22 -48.5(4) . .
C17 C19 C20 C22 133.0(3) . .
C17 C19 C18 C15 0.1(4) . .
C20 C19 C18 C15 -178.5(3) . .
C23 O9 C22 C21 2.0(4) . 2_576
C23 O9 C22 C20 -177.3(3) . .
C21 C20 C22 O9 178.0(3) . .
C19 C20 C22 O9 -1.1(4) . .
C21 C20 C22 C21 -1.3(5) . 2_576
C19 C20 C22 C21 179.6(3) . 2_576
C31 C30 C29 C31 -1.6(5) 2_765 .
C31 C30 C29 C28 177.0(3) 2_765 .
C25 N1 C24 C27 1.2(4) . .
Ni1 N1 C24 C27 -177.2(2) . .
C12 C11 C10 C9 -0.4(4) . .
C14 C11 C10 C9 178.4(3) . .
C8 C9 C10 C11 0.9(5) . .
C16 N2 C15 C18 -2.2(4) . .
Ni1 N2 C15 C18 176.5(2) . .
C19 C18 C15 N2 0.8(4) . .
C15 N2 C16 C17 2.9(5) . .
Ni1 N2 C16 C17 -175.9(3) . .
N1 C24 C27 C28 -0.8(4) . .
C3 C2 C4 C5 1.9(5) . .
C1 C2 C4 C5 -177.8(3) . .
N1 C25 C26 C28 -1.9(4) . .
C10 C9 C8 C13 -1.8(5) . .
C10 C9 C8 O5 174.8(3) . .
C7 O5 C8 C9 43.8(4) . .
C7 O5 C8 C13 -139.4(3) . .
C25 C26 C28 C27 2.3(4) . .
C25 C26 C28 C29 -177.8(3) . .
C24 C27 C28 C26 -1.0(4) . .
C24 C27 C28 C29 179.1(3) . .
C30 C29 C28 C26 -63.9(4) . .
C31 C29 C28 C26 114.7(3) . .
C30 C29 C28 C27 116.0(3) . .
C31 C29 C28 C27 -65.4(4) . .
C9 C8 C13 C12 2.3(5) . .
O5 C8 C13 C12 -174.5(3) . .
C11 C12 C13 C8 -1.8(5) . .
C2 C4 C5 C7 -0.1(5) . .
C4 C5 C7 C6 -1.0(5) . .
C4 C5 C7 O5 -178.4(3) . .
C8 O5 C7 C5 -120.4(3) . .
C8 O5 C7 C6 62.2(4) . .
C4 C2 C3 C6 -2.6(5) . .
C1 C2 C3 C6 177.1(3) . .
N2 C16 C17 C19 -2.2(5) . .
C18 C19 C17 C16 0.6(4) . .
C20 C19 C17 C16 179.2(3) . .
C32 O8 C31 C30 9.1(4) . 2_765
C32 O8 C31 C29 -169.3(3) . .
C30 C29 C31 O8 -180.0(3) . .
C28 C29 C31 O8 1.4(4) . .
C30 C29 C31 C30 1.5(5) . 2_765
C28 C29 C31 C30 -177.0(3) . 2_765
C2 C3 C6 C7 1.5(5) . .
C5 C7 C6 C3 0.3(5) . .
O5 C7 C6 C3 177.7(3) . .
C33 N6 C35 O6 -0.9(6) . .
C34 N6 C35 O6 -176.4(4) . .
