#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/66/2206661.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_2206661
loop_
_publ_author_name
'You, Zhong-Lu'
_publ_section_title
;Bis{2-[3-(cyclohexylaminio)propyliminomethyl]-4-nitrophenolato}dimethanolnickel(II)
 dinitrate dihydrate
;
_journal_coeditor_code           CI6631
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1807
_journal_page_last               m1809
_journal_paper_doi               10.1107/S1600536805026024
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac
'[Ni (C16 H23 N3 O3 )2 (C H4 O )2 ] (N O3)2 , 2H2 O'
_chemical_formula_moiety         'C34 H54 N6 Ni O8, 2(N O3), 2(H2 O)'
_chemical_formula_sum            'C34 H58 N8 Ni O16'
_chemical_formula_weight         893.59
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 104.200(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.4280(10)
_cell_length_b                   8.7550(10)
_cell_length_c                   20.0480(10)
_cell_measurement_reflns_used    7814
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.27
_cell_measurement_theta_min      2.35
_cell_volume                     2114.7(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0245
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            24141
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.537
_exptl_absorpt_correction_T_max  0.9384
_exptl_absorpt_correction_T_min  0.8865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.361
_refine_diff_density_min         -0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         5091
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0384
_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)+(0.0592P)²+0.4520P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1017
_refine_ls_wR_factor_ref         0.1068
_reflns_number_gt                4276
_reflns_number_total             5091
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ci6631.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      'P 21/c'
_cod_database_code               2206661
_cod_database_fobs_code          2206661
loop_
_symmetry_equiv_pos_as_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_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_type_symbol
Ni1 0.5000 1.0000 1.0000 0.03017(10) Uani d S 1 Ni
O1 0.63727(9) 0.87825(14) 1.04169(6) 0.0389(3) Uani d . 1 O
O2 1.08160(12) 0.68278(18) 0.97826(8) 0.0624(4) Uani d . 1 O
O3 1.04018(13) 0.8703(2) 0.90806(8) 0.0638(4) Uani d . 1 O
O4 0.26216(16) 1.03348(18) 0.30326(9) 0.0679(5) Uani d . 1 O
O5 0.32452(17) 1.0518(2) 0.21297(9) 0.0749(5) Uani d . 1 O
O6 0.2576(3) 0.8429(2) 0.23706(16) 0.1353(11) Uani d U 1 O
O7 0.26727(15) 0.8117(3) 0.40609(13) 0.1040(8) Uani d D 1 O
O8 0.44841(11) 0.84985(15) 0.91473(7) 0.0447(3) Uani d D 1 O
N1 1.01867(12) 0.78569(19) 0.95158(8) 0.0450(4) Uani d . 1 N
N2 0.59365(11) 1.12901(15) 0.94784(7) 0.0324(3) Uani d . 1 N
N3 0.33639(12) 1.15880(17) 0.81388(7) 0.0384(3) Uani d . 1 N
H3A 0.3117 1.2547 0.8037 0.046 Uiso calc R 1 H
H3B 0.3412 1.1439 0.8589 0.046 Uiso calc R 1 H
N4 0.28060(16) 0.97557(19) 0.25007(10) 0.0536(4) Uani d . 1 N
C1 0.72370(13) 0.85720(19) 1.01736(8) 0.0334(3) Uani d . 1 C
C2 0.79280(15) 0.7292(2) 1.03951(9) 0.0430(4) Uani d . 1 C
H2 0.7732 0.6597 1.0696 0.052 Uiso calc R 1 H
C3 0.88780(15) 0.7049(2) 1.01786(9) 0.0429(4) Uani d . 1 C
H3 0.9324 0.6204 1.0332 0.052 Uiso calc R 1 H
C4 0.91644(13) 0.8085(2) 0.97269(8) 0.0373(4) Uani d . 1 C
C5 0.85101(13) 0.9324(2) 0.94829(8) 0.0362(3) Uani d . 1 C
H5 0.8716 0.9992 0.9175 0.043 Uiso calc R 1 H
C6 0.75397(13) 0.95836(19) 0.96941(8) 0.0329(3) Uani d . 1 C
C7 0.69104(13) 1.09428(19) 0.94252(8) 0.0355(3) Uani d . 1 C
H7 0.7252 1.1632 0.9190 0.043 Uiso calc R 1 H
C8 0.55160(15) 1.2775(2) 0.91558(9) 0.0414(4) Uani d . 1 C
H8A 0.6065 1.3562 0.9324 0.050 Uiso calc R 1 H
H8B 0.4845 1.3049 0.9293 0.050 Uiso calc R 1 H
C9 0.52650(15) 1.2727(2) 0.83726(10) 0.0476(4) Uani d . 1 C
H9A 0.4940 1.3699 0.8197 0.057 Uiso calc R 1 H
H9B 0.5962 1.2630 0.8241 0.057 Uiso calc R 1 H
C10 0.45001(15) 1.1468(2) 0.80231(9) 0.0457(4) Uani d . 1 C
H10A 0.4448 1.1502 0.7533 0.055 Uiso calc R 1 H
H10B 0.4817 1.0489 0.8194 0.055 Uiso calc R 1 H
C11 0.25108(16) 1.0496(2) 0.77336(9) 0.0427(4) Uani d . 1 C
H11 0.2793 0.9452 0.7824 0.051 Uiso calc R 1 H
C12 0.14669(17) 1.0649(3) 0.79868(10) 0.0554(5) Uani d . 1 C
H12A 0.1215 1.1701 0.7937 0.066 Uiso calc R 1 H
H12B 0.1630 1.0390 0.8472 0.066 Uiso calc R 1 H
C13 0.0548(2) 0.9611(4) 0.75885(12) 0.0715(7) Uani d . 1 C
H13A 0.0769 0.8553 0.7675 0.086 Uiso calc R 1 H
H13B -0.0121 0.9774 0.7747 0.086 Uiso calc R 1 H
C14 0.0309(2) 0.9928(3) 0.68222(12) 0.0713(7) Uani d . 1 C
H14A -0.0250 0.9219 0.6577 0.086 Uiso calc R 1 H
H14B 0.0019 1.0956 0.6730 0.086 Uiso calc R 1 H
C15 0.1356(2) 0.9760(3) 0.65693(11) 0.0638(6) Uani d . 1 C
H15A 0.1194 1.0010 0.6083 0.077 Uiso calc R 1 H
H15B 0.1604 0.8707 0.6623 0.077 Uiso calc R 1 H
C16 0.22808(18) 1.0799(3) 0.69630(10) 0.0551(5) Uani d . 1 C
H16A 0.2950 1.0619 0.6808 0.066 Uiso calc R 1 H
H16B 0.2067 1.1858 0.6870 0.066 Uiso calc R 1 H
C17 0.51297(19) 0.7402(3) 0.89022(13) 0.0684(7) Uani d . 1 C
H17A 0.4676 0.6889 0.8510 0.103 Uiso calc R 1 H
H17B 0.5416 0.6671 0.9258 0.103 Uiso calc R 1 H
H17C 0.5735 0.7903 0.8773 0.103 Uiso calc R 1 H
H8 0.3891(14) 0.809(3) 0.9169(14) 0.080 Uiso d D 1 H
H7A 0.252(2) 0.872(3) 0.3725(10) 0.080 Uiso d D 1 H
H7B 0.2128(15) 0.805(3) 0.4230(12) 0.080 Uiso d D 1 H
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Ni1 O1 . 3_677 180.0 y
O1 Ni1 N2 . 3_677 91.46(5) y
O1 Ni1 N2 3_677 3_677 88.54(5) ?
O1 Ni1 N2 . . 88.54(5) y
O1 Ni1 N2 3_677 . 91.46(5) ?
N2 Ni1 N2 3_677 . 180.0 y
O1 Ni1 O8 . 3_677 86.32(5) y
O1 Ni1 O8 3_677 3_677 93.68(5) ?
N2 Ni1 O8 3_677 3_677 91.55(5) ?
N2 Ni1 O8 . 3_677 88.45(5) y
O1 Ni1 O8 . . 93.68(5) y
O1 Ni1 O8 3_677 . 86.32(5) ?
N2 Ni1 O8 3_677 . 88.45(5) ?
N2 Ni1 O8 . . 91.55(5) y
O8 Ni1 O8 3_677 . 180.0 y
C1 O1 Ni1 . . 127.96(10) ?
H7A O7 H7B . . 109.1(19) ?
C17 O8 Ni1 . . 127.87(13) ?
C17 O8 H8 . . 108(2) ?
Ni1 O8 H8 . . 108.8(19) ?
O3 N1 O2 . . 121.90(16) ?
O3 N1 C4 . . 119.06(16) ?
O2 N1 C4 . . 119.03(16) ?
C7 N2 C8 . . 114.23(14) ?
C7 N2 Ni1 . . 124.86(11) ?
C8 N2 Ni1 . . 120.86(10) ?
C10 N3 C11 . . 116.06(14) ?
C10 N3 H3A . . 108.3 ?
C11 N3 H3A . . 108.3 ?
C10 N3 H3B . . 108.3 ?
C11 N3 H3B . . 108.3 ?
H3A N3 H3B . . 107.4 ?
O6 N4 O5 . . 120.6(2) ?
O6 N4 O4 . . 119.3(2) ?
O5 N4 O4 . . 119.98(17) ?
O1 C1 C2 . . 119.29(15) ?
O1 C1 C6 . . 123.08(14) ?
C2 C1 C6 . . 117.63(14) ?
C3 C2 C1 . . 121.81(16) ?
C3 C2 H2 . . 119.1 ?
C1 C2 H2 . . 119.1 ?
C2 C3 C4 . . 118.91(16) ?
C2 C3 H3 . . 120.5 ?
C4 C3 H3 . . 120.5 ?
C5 C4 C3 . . 121.66(15) ?
C5 C4 N1 . . 119.39(16) ?
C3 C4 N1 . . 118.94(15) ?
C4 C5 C6 . . 120.20(16) ?
C4 C5 H5 . . 119.9 ?
C6 C5 H5 . . 119.9 ?
C5 C6 C1 . . 119.74(15) ?
C5 C6 C7 . . 116.67(15) ?
C1 C6 C7 . . 123.54(14) ?
N2 C7 C6 . . 126.78(15) ?
N2 C7 H7 . . 116.6 ?
C6 C7 H7 . . 116.6 ?
N2 C8 C9 . . 112.62(15) ?
N2 C8 H8A . . 109.1 ?
C9 C8 H8A . . 109.1 ?
N2 C8 H8B . . 109.1 ?
C9 C8 H8B . . 109.1 ?
H8A C8 H8B . . 107.8 ?
C10 C9 C8 . . 116.37(15) ?
C10 C9 H9A . . 108.2 ?
C8 C9 H9A . . 108.2 ?
C10 C9 H9B . . 108.2 ?
C8 C9 H9B . . 108.2 ?
H9A C9 H9B . . 107.3 ?
N3 C10 C9 . . 112.88(15) ?
N3 C10 H10A . . 109.0 ?
C9 C10 H10A . . 109.0 ?
N3 C10 H10B . . 109.0 ?
C9 C10 H10B . . 109.0 ?
H10A C10 H10B . . 107.8 ?
N3 C11 C12 . . 108.12(15) ?
N3 C11 C16 . . 111.61(15) ?
C12 C11 C16 . . 111.24(17) ?
N3 C11 H11 . . 108.6 ?
C12 C11 H11 . . 108.6 ?
C16 C11 H11 . . 108.6 ?
C11 C12 C13 . . 111.48(19) ?
C11 C12 H12A . . 109.3 ?
C13 C12 H12A . . 109.3 ?
C11 C12 H12B . . 109.3 ?
C13 C12 H12B . . 109.3 ?
H12A C12 H12B . . 108.0 ?
C14 C13 C12 . . 110.9(2) ?
C14 C13 H13A . . 109.5 ?
C12 C13 H13A . . 109.5 ?
C14 C13 H13B . . 109.5 ?
C12 C13 H13B . . 109.5 ?
H13A C13 H13B . . 108.0 ?
C15 C14 C13 . . 110.5(2) ?
C15 C14 H14A . . 109.6 ?
C13 C14 H14A . . 109.6 ?
C15 C14 H14B . . 109.6 ?
C13 C14 H14B . . 109.6 ?
H14A C14 H14B . . 108.1 ?
C14 C15 C16 . . 111.67(19) ?
C14 C15 H15A . . 109.3 ?
C16 C15 H15A . . 109.3 ?
C14 C15 H15B . . 109.3 ?
C16 C15 H15B . . 109.3 ?
H15A C15 H15B . . 107.9 ?
C11 C16 C15 . . 110.57(18) ?
C11 C16 H16A . . 109.5 ?
C15 C16 H16A . . 109.5 ?
C11 C16 H16B . . 109.5 ?
C15 C16 H16B . . 109.5 ?
H16A C16 H16B . . 108.1 ?
O8 C17 H17A . . 109.5 ?
O8 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
O8 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
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 . 2.011(2) y
Ni1 O1 3_677 2.011(2) ?
Ni1 N2 3_677 2.079(2) ?
Ni1 N2 . 2.079(2) y
Ni1 O8 3_677 2.127(2) ?
Ni1 O8 . 2.127(2) y
O1 C1 . 1.297(2) ?
O2 N1 . 1.226(2) ?
O3 N1 . 1.223(2) ?
O4 N4 . 1.252(2) ?
O5 N4 . 1.223(2) ?
O6 N4 . 1.209(3) ?
O7 H7A . 0.840(10) ?
O7 H7B . 0.830(10) ?
O8 C17 . 1.414(2) ?
O8 H8 . 0.830(10) ?
N1 C4 . 1.448(2) ?
N2 C7 . 1.278(2) ?
N2 C8 . 1.489(2) ?
N3 C10 . 1.490(2) ?
N3 C11 . 1.508(2) ?
N3 H3A . 0.90 ?
N3 H3B . 0.90 ?
C1 C2 . 1.415(2) ?
C1 C6 . 1.424(2) ?
C2 C3 . 1.371(2) ?
C2 H2 . 0.93 ?
C3 C4 . 1.388(3) ?
C3 H3 . 0.93 ?
C4 C5 . 1.371(2) ?
C5 C6 . 1.391(2) ?
C5 H5 . 0.93 ?
C6 C7 . 1.453(2) ?
C7 H7 . 0.93 ?
C8 C9 . 1.524(3) ?
C8 H8A . 0.97 ?
C8 H8B . 0.97 ?
C9 C10 . 1.511(3) ?
C9 H9A . 0.97 ?
C9 H9B . 0.97 ?
C10 H10A . 0.97 ?
C10 H10B . 0.97 ?
C11 C12 . 1.511(3) ?
C11 C16 . 1.524(2) ?
C11 H11 . 0.98 ?
C12 C13 . 1.523(3) ?
C12 H12A . 0.97 ?
C12 H12B . 0.97 ?
C13 C14 . 1.517(3) ?
C13 H13A . 0.97 ?
C13 H13B . 0.97 ?
C14 C15 . 1.516(4) ?
C14 H14A . 0.97 ?
C14 H14B . 0.97 ?
C15 C16 . 1.525(3) ?
C15 H15A . 0.97 ?
C15 H15B . 0.97 ?
C16 H16A . 0.97 ?
C16 H16B . 0.97 ?
C17 H17A . 0.96 ?
C17 H17B . 0.96 ?
C17 H17C . 0.96 ?
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
O7 H7B O3 4_475 0.830(10) 2.60(2) 3.250(3) 136(2)
O7 H7B O2 4_475 0.830(10) 2.190(10) 3.010(2) 171(3)
O7 H7A O4 . 0.840(10) 2.010(10) 2.821(3) 164(3)
O8 H8 O7 4_576 0.830(10) 1.810(10) 2.628(2) 166(3)
N3 H3B O1 3_677 0.90 1.95 2.851(2) 175
N3 H3A N4 4_586 0.90 2.58 3.454(2) 163
N3 H3A O5 4_586 0.90 2.52 3.223(2) 136
N3 H3A O4 4_586 0.90 1.95 2.839(2) 167
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
N2 Ni1 O1 C1 3_677 154.90(14)
N2 Ni1 O1 C1 . -25.10(14)
O8 Ni1 O1 C1 3_677 -113.64(14)
O8 Ni1 O1 C1 . 66.36(14)
O1 Ni1 O8 C17 . -17.74(18)
O1 Ni1 O8 C17 3_677 162.26(18)
N2 Ni1 O8 C17 3_677 -109.10(18)
N2 Ni1 O8 C17 . 70.90(18)
O1 Ni1 N2 C7 . 12.39(14)
O1 Ni1 N2 C7 3_677 -167.61(14)
O8 Ni1 N2 C7 3_677 98.74(14)
O8 Ni1 N2 C7 . -81.26(14)
O1 Ni1 N2 C8 . -164.77(12)
O1 Ni1 N2 C8 3_677 15.23(12)
O8 Ni1 N2 C8 3_677 -78.42(12)
O8 Ni1 N2 C8 . 101.58(12)
Ni1 O1 C1 C2 . -157.77(13)
Ni1 O1 C1 C6 . 23.0(2)
O1 C1 C2 C3 . -177.09(17)
C6 C1 C2 C3 . 2.2(3)
C1 C2 C3 C4 . -0.3(3)
C2 C3 C4 C5 . -1.3(3)
C2 C3 C4 N1 . 177.98(17)
O3 N1 C4 C5 . -5.9(3)
O2 N1 C4 C5 . 173.55(16)
O3 N1 C4 C3 . 174.80(17)
O2 N1 C4 C3 . -5.8(2)
C3 C4 C5 C6 . 1.0(3)
N1 C4 C5 C6 . -178.32(15)
C4 C5 C6 C1 . 1.0(3)
C4 C5 C6 C7 . 178.43(15)
O1 C1 C6 C5 . 176.75(15)
C2 C1 C6 C5 . -2.5(2)
O1 C1 C6 C7 . -0.5(3)
C2 C1 C6 C7 . -179.77(16)
C8 N2 C7 C6 . 179.25(16)
Ni1 N2 C7 C6 . 1.9(2)
C5 C6 C7 N2 . 170.16(16)
C1 C6 C7 N2 . -12.5(3)
C7 N2 C8 C9 . 69.72(19)
Ni1 N2 C8 C9 . -112.83(14)
N2 C8 C9 C10 . 53.4(2)
C11 N3 C10 C9 . 172.42(14)
C8 C9 C10 N3 . 63.2(2)
C10 N3 C11 C12 . 172.73(15)
C10 N3 C11 C16 . -64.6(2)
N3 C11 C12 C13 . 178.43(18)
C16 C11 C12 C13 . 55.6(3)
C11 C12 C13 C14 . -56.2(3)
C12 C13 C14 C15 . 56.2(3)
C13 C14 C15 C16 . -56.5(3)
N3 C11 C16 C15 . -175.82(17)
C12 C11 C16 C15 . -55.0(3)
C14 C15 C16 C11 . 55.8(3)
