#------------------------------------------------------------------------------
#$Date: 2016-03-25 17:01:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180000 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/94/7029452.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_7029452
loop_
_publ_author_name
'Das, Mithun'
'Harms, Klaus'
'Chattopadhyay, Shouvik'
_publ_section_title
;
 Novel tandem synthesis of bis(μ-NN'-tetrazolate) bridged dinuclear
 nickel(ii) Schiff base complex via [3 + 2] cyclo-addition at ambient
 condition.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5643
_journal_page_last               5647
_journal_paper_doi               10.1039/c3dt52398e
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C34 H40 N16 Ni2 O4, 2(C2 H3 N), 2(H2 O)'
_chemical_formula_sum            'C38 H50 N18 Ni2 O6'
_chemical_formula_weight         972.38
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 110.1600(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.3833(8)
_cell_length_b                   9.8759(6)
_cell_length_c                   17.7659(11)
_cell_measurement_reflns_used    7920
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.44
_cell_volume                     2204.3(2)
_computing_cell_refinement       'BRUKER SAINT'
_computing_data_collection       'BRUKER APEX II'
_computing_data_reduction        'Bruker APEX II'
_computing_molecular_graphics    'DIAMOND (Crystal Impact)'
_computing_publication_material  SHELXL
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker D8 QUEST area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25325
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.531
_diffrn_reflns_theta_min         2.422
_diffrn_source                   'microfocus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.921
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6994
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_description       nugget
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.170
_refine_diff_density_max         0.368
_refine_diff_density_min         -0.298
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         5029
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0205P)²+2.2096P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0729
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4049
_reflns_number_total             5029
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c3dt52398e.txt
_cod_data_source_block           s29_0m
_cod_database_code               7029452
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.816
_shelx_estimated_absorpt_t_max   0.859
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.86377(19) -0.4437(2) 0.89284(14) 0.0254(5) Uani 1 1 d . .
H1A H 0.8963 -0.4285 0.8519 0.038 Uiso 1 1 calc R U
H1B H 0.7885 -0.4671 0.8668 0.038 Uiso 1 1 calc R U
H1C H 0.9006 -0.5181 0.9280 0.038 Uiso 1 1 calc R U
C2 C 0.87291(17) -0.3151(2) 0.94243(12) 0.0204(4) Uani 1 1 d . .
H2A H 0.8353 -0.3300 0.9809 0.024 Uiso 1 1 calc R U
H2B H 0.9490 -0.2997 0.9740 0.024 Uiso 1 1 calc R U
C4 C 0.71669(15) -0.2025(2) 0.84364(12) 0.0183(4) Uani 1 1 d . .
H4A H 0.6727 -0.2307 0.8757 0.022 Uiso 1 1 calc R U
H4B H 0.7091 -0.2715 0.8016 0.022 Uiso 1 1 calc R U
C5 C 0.67988(16) -0.0659(2) 0.80547(12) 0.0194(4) Uani 1 1 d . .
H5A H 0.7160 -0.0444 0.7668 0.023 Uiso 1 1 calc R U
H5B H 0.6022 -0.0677 0.7761 0.023 Uiso 1 1 calc R U
C7 C 0.64698(15) 0.1429(2) 0.85947(12) 0.0173(4) Uani 1 1 d . .
H7 H 0.5861 0.1483 0.8121 0.021 Uiso 1 1 calc R U
C8 C 0.66550(15) 0.2544(2) 0.91498(12) 0.0169(4) Uani 1 1 d . .
C9 C 0.75438(15) 0.26236(19) 0.98777(12) 0.0146(4) Uani 1 1 d . .
C10 C 0.76205(16) 0.3836(2) 1.03391(12) 0.0170(4) Uani 1 1 d . .
C11 C 0.68636(17) 0.4838(2) 1.01211(13) 0.0227(5) Uani 1 1 d . .
H11 H 0.6931 0.5609 1.0455 0.027 Uiso 1 1 calc R U
C12 C 0.59907(17) 0.4727(2) 0.94052(15) 0.0276(5) Uani 1 1 d . .
H12 H 0.5468 0.5422 0.9251 0.033 Uiso 1 1 calc R U
C13 C 0.59000(16) 0.3616(2) 0.89340(14) 0.0233(5) Uani 1 1 d . .
H13 H 0.5314 0.3555 0.8446 0.028 Uiso 1 1 calc R U
C15 C 0.64335(15) -0.1041(2) 1.01525(12) 0.0163(4) Uani 1 1 d . .
H15 H 0.5964 -0.0745 0.9645 0.020 Uiso 1 1 calc R U
C16 C 0.60172(16) -0.1556(2) 1.07083(12) 0.0198(4) Uani 1 1 d . .
H16 H 0.5266 -0.1617 1.0565 0.024 Uiso 1 1 calc R U
N17 N 0.66310(13) -0.19707(18) 1.14378(10) 0.0192(4) Uani 1 1 d . .
C18 C 0.76800(15) -0.18670(19) 1.16032(12) 0.0155(4) Uani 1 1 d . .
H18 H 0.8147 -0.2138 1.2117 0.019 Uiso 1 1 calc R U
C19 C 0.81103(15) -0.13763(18) 1.10483(11) 0.0116(4) Uani 1 1 d . .
C20 C 0.92468(14) -0.12758(18) 1.11845(11) 0.0112(4) Uani 1 1 d . .
C91 C 0.87039(19) 0.5051(2) 1.14954(12) 0.0247(5) Uani 1 1 d . .
H91A H 0.8747 0.5838 1.1172 0.037 Uiso 1 1 calc R U
H91B H 0.9375 0.4955 1.1946 0.037 Uiso 1 1 calc R U
H91C H 0.8118 0.5178 1.1701 0.037 Uiso 1 1 calc R U
N3 N 0.82982(12) -0.19104(16) 0.89593(9) 0.0139(3) Uani 1 1 d . .
H3 H 0.8718 -0.1757 0.8598 0.017 Uiso 1 1 calc R U
N6 N 0.70536(12) 0.03746(17) 0.86851(9) 0.0144(3) Uani 1 1 d . .
N14 N 0.74824(12) -0.09540(16) 1.03178(9) 0.0128(3) Uani 1 1 d . .
N21 N 0.95678(12) -0.06961(15) 1.06302(9) 0.0107(3) Uani 1 1 d . .
N22 N 1.06292(12) -0.07664(15) 1.09285(9) 0.0117(3) Uani 1 1 d . .
N23 N 1.09311(13) -0.13685(17) 1.16344(10) 0.0159(3) Uani 1 1 d . .
N24 N 1.00601(13) -0.17119(17) 1.18101(10) 0.0153(4) Uani 1 1 d . .
O8 O 0.82757(10) 0.17097(13) 1.01510(8) 0.0141(3) Uani 1 1 d . .
O9 O 0.85183(11) 0.38633(14) 1.10130(8) 0.0207(3) Uani 1 1 d . .
Ni1 Ni 0.83670(2) -0.00569(2) 0.96107(2) 0.01048(7) Uani 1 1 d . .
C26 C 0.63211(19) 0.1665(3) 1.17504(14) 0.0339(6) Uani 1 1 d . .
C27 C 0.74626(17) 0.1687(2) 1.19622(14) 0.0277(5) Uani 1 1 d . .
H27A H 0.7645 0.1679 1.1473 0.042 Uiso 1 1 calc R U
H27B H 0.7770 0.0888 1.2287 0.042 Uiso 1 1 calc R U
H27C H 0.7749 0.2509 1.2271 0.042 Uiso 1 1 calc R U
N25 N 0.54271(19) 0.1642(4) 1.15937(16) 0.0739(10) Uani 1 1 d . .
H10A H 0.992(2) 0.218(3) 1.2104(16) 0.032(8) Uiso 1 1 d . .
H10B H 0.953(2) 0.192(2) 1.1365(16) 0.025(7) Uiso 1 1 d . .
O100 O 1.00005(12) 0.17046(15) 1.17804(10) 0.0181(3) 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'
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
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N3 C2 C1 115.38(17) . .
N3 C2 H2A 108.4 . .
C1 C2 H2A 108.4 . .
N3 C2 H2B 108.4 . .
C1 C2 H2B 108.4 . .
H2A C2 H2B 107.5 . .
N3 C4 C5 108.47(16) . .
N3 C4 H4A 110.0 . .
C5 C4 H4A 110.0 . .
N3 C4 H4B 110.0 . .
C5 C4 H4B 110.0 . .
H4A C4 H4B 108.4 . .
N6 C5 C4 108.92(16) . .
N6 C5 H5A 109.9 . .
C4 C5 H5A 109.9 . .
N6 C5 H5B 109.9 . .
C4 C5 H5B 109.9 . .
H5A C5 H5B 108.3 . .
N6 C7 C8 125.65(18) . .
N6 C7 H7 117.2 . .
C8 C7 H7 117.2 . .
C13 C8 C9 119.78(19) . .
C13 C8 C7 116.47(18) . .
C9 C8 C7 123.74(18) . .
O8 C9 C8 125.99(18) . .
O8 C9 C10 118.08(17) . .
C8 C9 C10 115.93(17) . .
C11 C10 O9 124.77(19) . .
C11 C10 C9 122.68(19) . .
O9 C10 C9 112.55(17) . .
C10 C11 C12 120.1(2) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C13 C12 C11 119.4(2) . .
C13 C12 H12 120.3 . .
C11 C12 H12 120.3 . .
C12 C13 C8 122.0(2) . .
C12 C13 H13 119.0 . .
C8 C13 H13 119.0 . .
N14 C15 C16 121.15(18) . .
N14 C15 H15 119.4 . .
C16 C15 H15 119.4 . .
N17 C16 C15 122.61(19) . .
N17 C16 H16 118.7 . .
C15 C16 H16 118.7 . .
C18 N17 C16 115.97(17) . .
N17 C18 C19 122.14(18) . .
N17 C18 H18 118.9 . .
C19 C18 H18 118.9 . .
N14 C19 C18 121.23(17) . .
N14 C19 C20 114.05(16) . .
C18 C19 C20 124.72(17) . .
N24 C20 N21 112.17(16) . .
N24 C20 C19 128.48(17) . .
N21 C20 C19 119.35(16) . .
O9 C91 H91A 109.5 . .
O9 C91 H91B 109.5 . .
H91A C91 H91B 109.5 . .
O9 C91 H91C 109.5 . .
H91A C91 H91C 109.5 . .
H91B C91 H91C 109.5 . .
C2 N3 C4 113.83(15) . .
C2 N3 Ni1 117.92(12) . .
C4 N3 Ni1 104.32(11) . .
C2 N3 H3 106.7 . .
C4 N3 H3 106.7 . .
Ni1 N3 H3 106.7 . .
C7 N6 C5 120.01(17) . .
C7 N6 Ni1 127.16(14) . .
C5 N6 Ni1 112.81(12) . .
C15 N14 C19 116.88(16) . .
C15 N14 Ni1 129.49(13) . .
C19 N14 Ni1 113.41(12) . .
C20 N21 N22 104.72(15) . .
C20 N21 Ni1 115.38(12) . .
N22 N21 Ni1 139.85(12) . .
N23 N22 N21 109.64(14) . .
N23 N22 Ni1 125.65(12) . 3_757
N21 N22 Ni1 124.60(12) . 3_757
N22 N23 N24 109.08(15) . .
C20 N24 N23 104.39(15) . .
C9 O8 Ni1 125.88(12) . .
C10 O9 C91 117.39(16) . .
N6 Ni1 O8 91.54(6) . .
N6 Ni1 N21 170.82(6) . .
O8 Ni1 N21 90.20(6) . .
N6 Ni1 N22 93.60(6) . 3_757
O8 Ni1 N22 92.07(6) . 3_757
N21 Ni1 N22 95.35(6) . 3_757
N6 Ni1 N3 82.88(6) . .
O8 Ni1 N3 174.17(6) . .
N21 Ni1 N3 95.04(6) . .
N22 Ni1 N3 89.98(6) 3_757 .
N6 Ni1 N14 93.57(6) . .
O8 Ni1 N14 86.76(6) . .
N21 Ni1 N14 77.52(6) . .
N22 Ni1 N14 172.76(6) 3_757 .
N3 Ni1 N14 91.89(6) . .
N25 C26 C27 179.1(3) . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
H10A O100 H10B 105(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.527(3) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 N3 1.479(3) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C4 N3 1.483(2) .
C4 C5 1.514(3) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 N6 1.466(3) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C7 N6 1.279(3) .
C7 C8 1.442(3) .
C7 H7 0.9500 .
C8 C13 1.422(3) .
C8 C9 1.426(3) .
C9 O8 1.297(2) .
C9 C10 1.434(3) .
C10 C11 1.373(3) .
C10 O9 1.373(2) .
C11 C12 1.404(3) .
C11 H11 0.9500 .
C12 C13 1.360(3) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C15 N14 1.334(2) .
C15 C16 1.387(3) .
C15 H15 0.9500 .
C16 N17 1.337(3) .
C16 H16 0.9500 .
N17 C18 1.335(2) .
C18 C19 1.389(3) .
C18 H18 0.9500 .
C19 N14 1.346(2) .
C19 C20 1.459(3) .
C20 N24 1.331(2) .
C20 N21 1.332(2) .
C91 O9 1.423(2) .
C91 H91A 0.9800 .
C91 H91B 0.9800 .
C91 H91C 0.9800 .
N3 Ni1 2.1506(16) .
N3 H3 1.0000 .
N6 Ni1 1.9958(16) .
N14 Ni1 2.1886(15) .
N21 N22 1.336(2) .
N21 Ni1 2.0628(15) .
N22 N23 1.319(2) .
N22 Ni1 2.0666(15) 3_757
N23 N24 1.350(2) .
O8 Ni1 2.0152(13) .
Ni1 N22 2.0667(15) 3_757
C26 N25 1.131(3) .
C26 C27 1.442(3) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
O100 H10A 0.78(3) .
O100 H10B 0.82(3) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N3 H3 O100 1.00 2.05 3.003(2) 159.1 3_757
O100 H10A N24 0.78(3) 2.21(3) 2.977(2) 169(3) 2_757
O100 H10B O8 0.82(3) 2.24(3) 3.017(2) 159(2) .
O100 H10B O9 0.82(3) 2.31(3) 2.911(2) 132(2) .
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
N3 C4 C5 N6 -52.0(2) . .
N6 C7 C8 C13 -179.61(19) . .
N6 C7 C8 C9 1.3(3) . .
C13 C8 C9 O8 178.62(18) . .
C7 C8 C9 O8 -2.3(3) . .
C13 C8 C9 C10 -1.5(3) . .
C7 C8 C9 C10 177.54(18) . .
O8 C9 C10 C11 -177.09(18) . .
C8 C9 C10 C11 3.0(3) . .
O8 C9 C10 O9 2.4(2) . .
C8 C9 C10 O9 -177.45(16) . .
O9 C10 C11 C12 178.03(19) . .
C9 C10 C11 C12 -2.5(3) . .
C10 C11 C12 C13 0.4(3) . .
C11 C12 C13 C8 1.1(3) . .
C9 C8 C13 C12 -0.5(3) . .
C7 C8 C13 C12 -179.6(2) . .
N14 C15 C16 N17 1.1(3) . .
C15 C16 N17 C18 -0.3(3) . .
C16 N17 C18 C19 -0.9(3) . .
N17 C18 C19 N14 1.4(3) . .
N17 C18 C19 C20 -178.12(18) . .
N14 C19 C20 N24 -173.80(18) . .
C18 C19 C20 N24 5.7(3) . .
N14 C19 C20 N21 5.4(2) . .
C18 C19 C20 N21 -175.09(17) . .
C1 C2 N3 C4 56.2(2) . .
C1 C2 N3 Ni1 178.89(14) . .
C5 C4 N3 C2 174.96(16) . .
C5 C4 N3 Ni1 45.09(16) . .
C8 C7 N6 C5 -177.27(18) . .
C8 C7 N6 Ni1 0.8(3) . .
C4 C5 N6 C7 -150.14(17) . .
C4 C5 N6 Ni1 31.54(19) . .
C16 C15 N14 C19 -0.6(3) . .
C16 C15 N14 Ni1 -174.80(14) . .
C18 C19 N14 C15 -0.6(3) . .
C20 C19 N14 C15 178.98(16) . .
C18 C19 N14 Ni1 174.55(14) . .
C20 C19 N14 Ni1 -5.91(19) . .
N24 C20 N21 N22 -0.5(2) . .
C19 C20 N21 N22 -179.81(15) . .
N24 C20 N21 Ni1 177.45(12) . .
C19 C20 N21 Ni1 -1.9(2) . .
C20 N21 N22 N23 0.12(19) . .
Ni1 N21 N22 N23 -177.00(14) . .
C20 N21 N22 Ni1 -176.34(12) . 3_757
Ni1 N21 N22 Ni1 6.5(3) . 3_757
N21 N22 N23 N24 0.3(2) . .
Ni1 N22 N23 N24 176.69(12) 3_757 .
N21 C20 N24 N23 0.6(2) . .
C19 C20 N24 N23 179.89(18) . .
N22 N23 N24 C20 -0.6(2) . .
C8 C9 O8 Ni1 1.1(3) . .
C10 C9 O8 Ni1 -178.75(12) . .
C11 C10 O9 C91 -3.6(3) . .
C9 C10 O9 C91 176.93(16) . .
