#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/70/2217084.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2217084
loop_
_publ_author_name
'Song, Wen-Dong'
'Wan, Yi-Ling'
'Hong, Peng-Zhi'
'Ng, Seik Weng'
_publ_section_title
;Poly[[tetraaquabis[μ₃-1-ethyl-6-fluoro-4-oxo-7-(piperazinium-1-yl)-1H-quinoline-3-carboxylato]dinickel(II)]
 hydroxide nitrate]
;
_journal_coeditor_code           HB2663
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m70
_journal_page_last               m70
_journal_paper_doi               10.1107/S1600536807062885
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Ni2 (C16 H18 F N3 O3)2 (H2 O)4] (N O3) (O H)'
_chemical_formula_moiety         'C32 H44 F2 N6 Ni2 O10 2+, O H-, N O3 -'
_chemical_formula_sum            'C32 H45 F2 N7 Ni2 O14'
_chemical_formula_weight         907.17
_chemical_name_systematic
;
Poly[[tetraaquabis[μ₃-1-ethyl-6-fluoro-4-oxo-7-(piperazinium-1-yl)-
1H-quinoline-3-carboxylato]dinickel(II)] hydroxide nitrate]
;
_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
_cell_angle_alpha                101.504(2)
_cell_angle_beta                 106.301(2)
_cell_angle_gamma                113.528(2)
_cell_formula_units_Z            1
_cell_length_a                   8.9633(2)
_cell_length_b                   9.8121(2)
_cell_length_c                   13.2119(3)
_cell_measurement_reflns_used    2076
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.6
_cell_volume                     956.35(5)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEXII diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'medium-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0507
_diffrn_reflns_av_sigmaI/netI    0.0981
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11320
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.56
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.070
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_correction_T_min  0.686
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             472
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.653
_refine_diff_density_min         -0.590
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4304
_refine_ls_number_restraints     34
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1072
_refine_ls_R_factor_gt           0.0687
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1076P)²+1.3612P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1859
_refine_ls_wR_factor_ref         0.2191
_reflns_number_gt                2869
_reflns_number_total             4304
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb2663.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        956.34(4)
_cod_database_code               2217084
_cod_database_fobs_code          2217084
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni Ni1 0.5000 0.5000 0.5000 0.0328(3) Uani d S 1 . .
Ni Ni2 1.0000 1.0000 0.5000 0.0362(3) Uani d S 1 . .
F F1 0.8924(5) 1.1417(4) 0.0053(3) 0.0597(10) Uani d . 1 . .
O O1 0.5117(4) 0.6049(4) 0.3832(3) 0.0403(9) Uani d . 1 . .
O O2 0.7870(5) 0.8001(5) 0.4694(3) 0.0522(11) Uani d . 1 . .
O O3 0.9054(5) 0.9832(5) 0.3374(3) 0.0450(10) Uani d . 1 . .
O O1w 0.7762(5) 0.5892(5) 0.5746(3) 0.0516(10) Uani d . 1 . .
H H1w1 0.8119 0.6231 0.6459 0.077 Uiso d R 1 . .
H H1w2 0.8280 0.6650 0.5537 0.077 Uiso d R 1 . .
O O2w 1.4635(5) 0.9364(5) 0.4764(3) 0.079(3) Uani d PR 0.50 . 1
H H2w 1.4173 0.8742 0.4083 0.118 Uiso d PR 0.50 A 1
O O3w 1.1392(8) 0.8776(7) 0.4696(5) 0.0892(17) Uani d U 1 . .
H H3w1 1.2209 0.9326 0.4513 0.134 Uiso d R 1 . .
H H3w2 1.0678 0.7887 0.4163 0.134 Uiso d R 1 . .
N N1 0.4068(5) 0.6750(5) 0.0911(3) 0.0353(9) Uani d . 1 . .
N N2 0.5693(6) 0.9176(6) -0.1764(3) 0.0445(11) Uani d . 1 . .
H H2n 0.5624 1.0037 -0.1616 0.053 Uiso calc R 1 . .
N N3 0.5140(6) 0.7018(5) -0.3881(4) 0.0399(10) Uani d . 1 . .
H H3n 0.4886 0.7535 -0.4294 0.048 Uiso calc R 1 . .
C C1 0.6428(6) 0.7216(6) 0.3853(4) 0.0355(11) Uani d . 1 . .
C C2 0.6166(6) 0.7618(6) 0.2808(4) 0.0343(11) Uani d . 1 . .
C C3 0.4548(7) 0.6655(6) 0.1942(4) 0.0372(11) Uani d . 1 . .
H H3 0.3704 0.5865 0.2075 0.045 Uiso calc R 1 . .
C C4 0.7510(6) 0.8857(6) 0.2651(4) 0.0330(10) Uani d . 1 . .
C C5 0.6994(6) 0.8949(6) 0.1519(4) 0.0324(10) Uani d . 1 . .
C C6 0.8197(7) 1.0130(6) 0.1263(4) 0.0378(11) Uani d . 1 . .
H H6 0.9307 1.0882 0.1824 0.045 Uiso calc R 1 . .
C C7 0.7757(7) 1.0182(6) 0.0216(4) 0.0400(12) Uani d . 1 . .
C C8 0.6112(7) 0.9076(6) -0.0698(4) 0.0367(11) Uani d . 1 . .
C C9 0.4899(7) 0.7932(6) -0.0432(4) 0.0360(11) Uani d . 1 . .
H H9 0.3790 0.7186 -0.0996 0.043 Uiso calc R 1 . .
C C10 0.5301(6) 0.7878(6) 0.0651(4) 0.0328(10) Uani d . 1 . .
C C11 0.2248(7) 0.5575(7) 0.0058(5) 0.0445(13) Uani d . 1 . .
H H11A 0.1846 0.6056 -0.0457 0.053 Uiso calc R 1 . .
H H11B 0.1444 0.5287 0.0434 0.053 Uiso calc R 1 . .
C C12 0.2190(9) 0.4110(8) -0.0597(6) 0.0684(19) Uani d . 1 . .
H H12A 0.0997 0.3378 -0.1137 0.103 Uiso calc R 1 . .
H H12B 0.2569 0.3622 -0.0091 0.103 Uiso calc R 1 . .
H H12C 0.2965 0.4389 -0.0984 0.103 Uiso calc R 1 . .
C C13 0.6999(9) 0.9619(7) -0.2271(5) 0.0551(16) Uani d . 1 . .
H H13A 0.8181 1.0297 -0.1679 0.066 Uiso calc R 1 . .
H H13B 0.6758 1.0214 -0.2739 0.066 Uiso calc R 1 . .
C C14 0.6927(7) 0.8160(7) -0.2977(4) 0.0481(14) Uani d . 1 . .
H H14A 0.7776 0.8489 -0.3319 0.058 Uiso calc R 1 . .
H H14B 0.7280 0.7627 -0.2490 0.058 Uiso calc R 1 . .
C C15 0.3826(7) 0.6632(7) -0.3352(4) 0.0431(12) Uani d . 1 . .
H H15A 0.4053 0.6045 -0.2873 0.052 Uiso calc R 1 . .
H H15B 0.2638 0.5959 -0.3938 0.052 Uiso calc R 1 . .
C C16 0.3921(8) 0.8111(8) -0.2659(5) 0.0489(14) Uani d . 1 . .
H H16A 0.3623 0.8665 -0.3147 0.059 Uiso calc R 1 . .
H H16B 0.3056 0.7812 -0.2327 0.059 Uiso calc R 1 . .
O O4 0.9439(11) 0.5634(8) 0.7796(6) 0.0490(19) Uani d PDU 0.50 B 1
O O5 1.0325(17) 0.4310(17) 0.6823(12) 0.126(5) Uani d PDU 0.50 B 1
O O6 0.8282(11) 0.3095(10) 0.7300(8) 0.063(2) Uani d PDU 0.50 B 1
N N4 0.9354(9) 0.4383(9) 0.7316(5) 0.046(2) Uani d PDU 0.50 B 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'
F F 0.0171 0.0103 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 Ni1 O1 . 2_666 180.0000(10)
O1 Ni1 O1w . . 94.08(14)
O1 Ni1 O1w 2_666 . 85.92(14)
O1 Ni1 O1w . 2_666 85.92(14)
O1 Ni1 O1w 2_666 2_666 94.08(14)
O1w Ni1 O1w . 2_666 180.0
O1 Ni1 N3 . 2_665 89.36(15)
O1 Ni1 N3 2_666 2_665 90.64(15)
O1w Ni1 N3 . 2_665 87.36(16)
O1w Ni1 N3 2_666 2_665 92.64(16)
O1 Ni1 N3 . 1_556 90.64(15)
O1 Ni1 N3 2_666 1_556 89.36(15)
O1w Ni1 N3 . 1_556 92.64(16)
O1w Ni1 N3 2_666 1_556 87.36(16)
N3 Ni1 N3 2_665 1_556 180.0(2)
O2 Ni2 O2 2_776 . 180.0
O2 Ni2 O3 2_776 2_776 91.12(14)
O2 Ni2 O3 . 2_776 88.88(14)
O2 Ni2 O3 2_776 . 88.88(14)
O2 Ni2 O3 . . 91.12(14)
O3 Ni2 O3 2_776 . 180.0000(10)
O2 Ni2 O3w 2_776 2_776 91.8(2)
O2 Ni2 O3w . 2_776 88.2(2)
O3 Ni2 O3w 2_776 2_776 92.6(2)
O3 Ni2 O3w . 2_776 87.4(2)
O2 Ni2 O3w 2_776 . 88.2(2)
O2 Ni2 O3w . . 91.8(2)
O3 Ni2 O3w 2_776 . 87.4(2)
O3 Ni2 O3w . . 92.6(2)
O3w Ni2 O3w 2_776 . 180.000(3)
C1 O1 Ni1 . . 128.4(3)
C1 O2 Ni2 . . 130.1(3)
C4 O3 Ni2 . . 125.3(3)
Ni1 O1w H1w1 . . 109.5
Ni1 O1w H1w2 . . 109.5
H1w1 O1w H1w2 . . 109.5
O2w O2w H2w 2_876 . 138.4
Ni2 O3w H3w1 . . 109.5
Ni2 O3w H3w2 . . 109.4
H3w1 O3w H3w2 . . 109.5
C3 N1 C10 . . 119.8(4)
C3 N1 C11 . . 118.1(4)
C10 N1 C11 . . 122.0(4)
C8 N2 C16 . . 120.9(4)
C8 N2 C13 . . 122.5(5)
C16 N2 C13 . . 109.1(4)
C8 N2 H2n . . 99.1
C16 N2 H2n . . 99.1
C13 N2 H2n . . 99.1
C14 N3 C15 . . 108.2(4)
C14 N3 Ni1 . 1_554 115.0(4)
C15 N3 Ni1 . 1_554 115.5(3)
C14 N3 H3n . . 105.7
C15 N3 H3n . . 105.7
Ni1 N3 H3n 1_554 . 105.7
O2 C1 O1 . . 122.5(4)
O2 C1 C2 . . 121.2(4)
O1 C1 C2 . . 116.2(4)
C3 C2 C4 . . 119.6(4)
C3 C2 C1 . . 115.7(4)
C4 C2 C1 . . 124.6(4)
N1 C3 C2 . . 125.4(4)
N1 C3 H3 . . 117.3
C2 C3 H3 . . 117.3
O3 C4 C2 . . 126.4(4)
O3 C4 C5 . . 118.6(4)
C2 C4 C5 . . 115.0(4)
C6 C5 C10 . . 117.4(4)
C6 C5 C4 . . 120.4(4)
C10 C5 C4 . . 122.2(4)
C7 C6 C5 . . 120.7(5)
C7 C6 H6 . . 119.7
C5 C6 H6 . . 119.7
C6 C7 F1 . . 117.3(5)
C6 C7 C8 . . 123.8(4)
F1 C7 C8 . . 118.8(4)
N2 C8 C9 . . 122.3(5)
N2 C8 C7 . . 122.3(4)
C9 C8 C7 . . 115.3(4)
C10 C9 C8 . . 122.0(5)
C10 C9 H9 . . 119.0
C8 C9 H9 . . 119.0
C9 C10 N1 . . 121.5(4)
C9 C10 C5 . . 120.7(4)
N1 C10 C5 . . 117.8(4)
N1 C11 C12 . . 111.7(5)
N1 C11 H11A . . 109.3
C12 C11 H11A . . 109.3
N1 C11 H11B . . 109.3
C12 C11 H11B . . 109.3
H11A C11 H11B . . 107.9
C11 C12 H12A . . 109.5
C11 C12 H12B . . 109.5
H12A C12 H12B . . 109.5
C11 C12 H12C . . 109.5
H12A C12 H12C . . 109.5
H12B C12 H12C . . 109.5
N2 C13 C14 . . 110.9(4)
N2 C13 H13A . . 109.5
C14 C13 H13A . . 109.5
N2 C13 H13B . . 109.5
C14 C13 H13B . . 109.5
H13A C13 H13B . . 108.0
N3 C14 C13 . . 113.3(5)
N3 C14 H14A . . 108.9
C13 C14 H14A . . 108.9
N3 C14 H14B . . 108.9
C13 C14 H14B . . 108.9
H14A C14 H14B . . 107.7
N3 C15 C16 . . 111.8(5)
N3 C15 H15A . . 109.2
C16 C15 H15A . . 109.2
N3 C15 H15B . . 109.2
C16 C15 H15B . . 109.2
H15A C15 H15B . . 107.9
N2 C16 C15 . . 111.5(5)
N2 C16 H16A . . 109.3
C15 C16 H16A . . 109.3
N2 C16 H16B . . 109.3
C15 C16 H16B . . 109.3
H16A C16 H16B . . 108.0
O4 N4 O6 . . 121.5(9)
O4 N4 O5 . . 123.2(10)
O6 N4 O5 . . 115.3(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 O1 . 2.022(3) yes
Ni1 O1 2_666 2.022(3) n
Ni1 O1w . 2.103(4) yes
Ni1 O1w 2_666 2.103(4) n
Ni1 N3 1_556 2.157(5) yes
Ni1 N3 2_665 2.157(5) n
Ni2 O2 . 1.979(4) yes
Ni2 O2 2_776 1.979(4) n
Ni2 O3 2_776 2.021(3) ?
Ni2 O3 . 2.021(3) yes
Ni2 O3w 2_776 2.108(6) ?
Ni2 O3w . 2.108(6) yes
F1 C7 . 1.352(6) ?
O1 C1 . 1.260(6) ?
O2 C1 . 1.247(6) ?
O3 C4 . 1.256(6) ?
O1w H1w1 . 0.8501 ?
O1w H1w2 . 0.8500 ?
O2w O2w 2_876 1.088(8) ?
O2w H2w . 0.8500 ?
O3w H3w1 . 0.8501 ?
O3w H3w2 . 0.8501 ?
N1 C3 . 1.343(6) ?
N1 C10 . 1.398(6) ?
N1 C11 . 1.486(6) ?
N2 C8 . 1.387(6) ?
N2 C16 . 1.463(7) ?
N2 C13 . 1.469(7) ?
N2 H2n . 0.8600 ?
N3 C14 . 1.485(7) ?
N3 C15 . 1.493(7) ?
N3 Ni1 1_554 2.157(5) ?
N3 H3n . 0.8600 ?
C1 C2 . 1.492(6) ?
C2 C3 . 1.359(7) ?
C2 C4 . 1.430(6) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.468(6) ?
C5 C6 . 1.408(6) ?
C5 C10 . 1.411(7) ?
C6 C7 . 1.345(7) ?
C6 H6 . 0.9300 ?
C7 C8 . 1.418(7) ?
C8 C9 . 1.401(7) ?
C9 C10 . 1.390(6) ?
C9 H9 . 0.9300 ?
C11 C12 . 1.496(10) ?
C11 H11A . 0.9700 ?
C11 H11B . 0.9700 ?
C12 H12A . 0.9600 ?
C12 H12B . 0.9600 ?
C12 H12C . 0.9600 ?
C13 C14 . 1.511(9) ?
C13 H13A . 0.9700 ?
C13 H13B . 0.9700 ?
C14 H14A . 0.9700 ?
C14 H14B . 0.9700 ?
C15 C16 . 1.509(8) ?
C15 H15A . 0.9700 ?
C15 H15B . 0.9700 ?
C16 H16A . 0.9700 ?
C16 H16B . 0.9700 ?
O4 N4 . 1.225(8) ?
O5 N4 . 1.241(9) ?
O6 N4 . 1.237(8) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O1w H1w1 O4 . 0.85 2.16 2.820(8) 135 no
O1w H1w2 O2 . 0.85 1.97 2.700(5) 143 no
O2w H2w O6 2_766 0.85 2.17 2.900(10) 145 no
O3w H3w1 O2w . 0.85 2.09 2.699(7) 128 no
O3w H3w2 O5 2_766 0.85 1.96 2.77(2) 161 no
N3 H3n O2w 1_454 0.86 2.43 3.277(6) 171 no
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_site_symmetry_1
_geom_torsion
O1w Ni1 O1 C1 . -20.5(5)
O1w Ni1 O1 C1 2_666 159.5(5)
N3 Ni1 O1 C1 2_665 -107.8(5)
N3 Ni1 O1 C1 1_556 72.2(5)
O3 Ni2 O2 C1 2_776 168.0(5)
O3 Ni2 O2 C1 . -12.0(5)
O3w Ni2 O2 C1 2_776 75.3(6)
O3w Ni2 O2 C1 . -104.7(6)
O2 Ni2 O3 C4 2_776 -170.1(5)
O2 Ni2 O3 C4 . 9.9(5)
O3w Ni2 O3 C4 2_776 -78.3(5)
O3w Ni2 O3 C4 . 101.7(5)
Ni2 O2 C1 O1 . -172.1(4)
Ni2 O2 C1 C2 . 7.9(8)
Ni1 O1 C1 O2 . -6.5(8)
Ni1 O1 C1 C2 . 173.5(3)
O2 C1 C2 C3 . 178.7(5)
O1 C1 C2 C3 . -1.2(7)
O2 C1 C2 C4 . 2.5(8)
O1 C1 C2 C4 . -177.5(5)
C10 N1 C3 C2 . 2.2(8)
C11 N1 C3 C2 . 178.9(5)
C4 C2 C3 N1 . 0.3(9)
C1 C2 C3 N1 . -176.1(5)
Ni2 O3 C4 C2 . -4.4(8)
Ni2 O3 C4 C5 . 176.5(3)
C3 C2 C4 O3 . 179.8(5)
C1 C2 C4 O3 . -4.1(9)
C3 C2 C4 C5 . -1.0(7)
C1 C2 C4 C5 . 175.1(5)
O3 C4 C5 C6 . -1.4(8)
C2 C4 C5 C6 . 179.3(5)
O3 C4 C5 C10 . 178.6(5)
C2 C4 C5 C10 . -0.7(7)
C10 C5 C6 C7 . -2.6(8)
C4 C5 C6 C7 . 177.4(5)
C5 C6 C7 F1 . 175.2(5)
C5 C6 C7 C8 . -1.0(9)
C16 N2 C8 C9 . 2.1(8)
C13 N2 C8 C9 . -144.4(5)
C16 N2 C8 C7 . -174.0(5)
C13 N2 C8 C7 . 39.5(8)
C6 C7 C8 N2 . 179.2(5)
F1 C7 C8 N2 . 3.0(8)
C6 C7 C8 C9 . 2.9(8)
F1 C7 C8 C9 . -173.3(5)
N2 C8 C9 C10 . -177.4(5)
C7 C8 C9 C10 . -1.0(8)
C8 C9 C10 N1 . 178.8(5)
C8 C9 C10 C5 . -2.6(8)
C3 N1 C10 C9 . 174.9(5)
C11 N1 C10 C9 . -1.6(8)
C3 N1 C10 C5 . -3.7(7)
C11 N1 C10 C5 . 179.7(5)
C6 C5 C10 C9 . 4.4(7)
C4 C5 C10 C9 . -175.7(5)
C6 C5 C10 N1 . -177.0(5)
C4 C5 C10 N1 . 3.0(7)
C3 N1 C11 C12 . -89.1(6)
C10 N1 C11 C12 . 87.5(6)
C8 N2 C13 C14 . 92.7(6)
C16 N2 C13 C14 . -57.2(6)
C15 N3 C14 C13 . -53.8(5)
Ni1 N3 C14 C13 1_554 175.4(3)
N2 C13 C14 N3 . 56.8(6)
C14 N3 C15 C16 . 54.0(6)
Ni1 N3 C15 C16 1_554 -175.4(3)
C8 N2 C16 C15 . -91.7(6)
C13 N2 C16 C15 . 58.7(6)
N3 C15 C16 N2 . -58.6(6)
