#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/81/7028196.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_7028196
loop_
_publ_author_name
'Fritsky, Igor O.'
'Kozłowski, Henryk'
'Sadler, Peter J.'
'Yefetova, Oksana P.'
'Śwątek-Kozłowska, Jolanta'
'Kalibabchuk, Valentina A.'
'Głowiak, Tadeusz'
_publ_contact_author             'Igor O.Fritsky'
_publ_section_title
;
 Template synthesis of square-planar nickel(II) and copper(III) complexes
 based on hydrazide ligands
;
_journal_issue                   19
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3269
_journal_paper_doi               10.1039/a802451k
_journal_year                    1998
_chemical_formula_sum            'C9 H16 K N6 Ni O6.5'
_chemical_formula_weight         410.09
_chemical_name_systematic
; 
 Potassium {3,5-bis-(2'-hydroxyiminopropanoyl)-1,3,5-oxadiazinane 
 (3-)}nickolate(II)  sesquihydrate 
;
_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
_cell_angle_alpha                99.51(4)
_cell_angle_beta                 111.95(2)
_cell_angle_gamma                106.86(2)
_cell_formula_units_Z            2
_cell_length_a                   8.0890(10)
_cell_length_b                   10.376(4)
_cell_length_c                   10.6400(10)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      38.8
_cell_measurement_theta_min      23.4
_cell_volume                     754.1(4)
_computing_publication_material  'ORTEP, 1964'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device
'Enraf-Nonius FAST area detector diffractometer'
_diffrn_measurement_method       'profile data from omega/2theta 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  0.0758
_diffrn_reflns_av_sigmaI/netI    0.0668
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3049
_diffrn_reflns_theta_max         24.82
_diffrn_reflns_theta_min         2.16
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.608
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.806
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             422
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.377
_refine_diff_density_min         -0.406
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.013
_refine_ls_goodness_of_fit_obs   1.150
_refine_ls_hydrogen_treatment    'see experimental'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         1556
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_restrained_S_obs      1.150
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_obs          0.0425
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0531P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1066
_refine_ls_wR_factor_obs         0.0977
_reflns_number_observed          1209
_reflns_number_total             1559
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            k802451sup1.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0531P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0531P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        754.1(3)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C9 H16 K N6 Ni O6.50'
_cod_database_code               7028196
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Ni1 Ni -0.27197(10) -0.03729(6) 0.07539(8) 0.0272(3) Uani 1 d .
K1 K 0.3104(2) -0.19816(12) 0.3389(2) 0.0392(4) Uani 1 d .
O1 O -0.1744(6) 0.1204(4) -0.0975(5) 0.0403(11) Uani 1 d .
O2 O -0.3619(6) -0.3697(4) -0.2189(5) 0.0488(12) Uani 1 d .
O3 O -0.1464(6) 0.2592(4) 0.1232(5) 0.0413(11) Uani 1 d .
O4 O -0.3450(6) 0.0442(4) 0.4208(5) 0.0375(10) Uani 1 d .
O5 O -0.0966(5) -0.2443(4) 0.2649(5) 0.0371(11) Uani 1 d .
O1W1 O 0.1168(19) -0.4770(12) 0.1487(13) 0.056(3) Uani 0.50 d P
O1W2 O 0.1700(21) -0.4669(12) 0.2579(18) 0.083(5) Uani 0.50 d P
O1W3 O 0.4400(18) -0.4185(11) 0.4639(11) 0.085(4) Uani 0.50 d P
N1 N -0.2319(6) -0.0089(5) -0.0808(5) 0.0308(12) Uani 1 d .
N2 N -0.3309(6) -0.2238(4) -0.0141(5) 0.0297(12) Uani 1 d .
N3 N -0.2139(6) 0.1515(4) 0.1693(5) 0.0289(12) Uani 1 d .
N4 N -0.3200(6) -0.0672(4) 0.2273(5) 0.0281(12) Uani 1 d .
N5 N -0.3811(6) -0.3387(4) 0.0389(5) 0.0292(12) Uani 1 d .
N6 N -0.3784(6) -0.2025(4) 0.2527(5) 0.0292(12) Uani 1 d .
C1 C -0.2286(9) -0.1181(6) -0.3035(7) 0.046(2) Uani 1 d .
H1A H -0.3413(23) -0.1185(40) -0.3785(15) 0.068 Uiso 1 calc R
H1B H -0.2051(54) -0.2007(21) -0.3334(24) 0.068 Uiso 1 calc R
H1C H -0.1193(34) -0.0348(21) -0.2819(13) 0.068 Uiso 1 calc R
C2 C -0.2596(8) -0.1186(6) -0.1747(7) 0.0335(15) Uani 1 d .
C3 C -0.3234(8) -0.2526(6) -0.1373(7) 0.0319(15) Uani 1 d .
C4 C -0.3058(7) 0.0421(5) 0.3182(7) 0.0276(14) Uani 1 d .
C5 C -0.2347(7) 0.1759(5) 0.2829(7) 0.0301(14) Uani 1 d .
C6 C -0.1872(10) 0.3171(5) 0.3718(8) 0.049(2) Uani 1 d .
H6A H -0.0641(27) 0.3473(18) 0.4530(23) 0.074 Uiso 1 calc R
H6B H -0.2845(31) 0.3146(11) 0.4034(35) 0.074 Uiso 1 calc R
H6C H -0.1817(57) 0.3821(10) 0.3176(15) 0.074 Uiso 1 calc R
C7 C -0.4918(7) -0.3162(5) 0.1151(6) 0.0304(15) Uani 1 d .
H7A H -0.5485(7) -0.4037(5) 0.1319(6) 0.036 Uiso 1 calc R
H7B H -0.5967(7) -0.2937(5) 0.0551(6) 0.036 Uiso 1 calc R
C8 C -0.2133(9) -0.3561(6) 0.1310(8) 0.037(2) Uani 1 d .
H8A H -0.1345(9) -0.3616(6) 0.0820(8) 0.044 Uiso 1 calc R
H8B H -0.2534(9) -0.4453(6) 0.1501(8) 0.044 Uiso 1 calc R
C9 C -0.2078(8) -0.2284(6) 0.3367(7) 0.036(2) Uani 1 d .
H9A H -0.1274(8) -0.1500(6) 0.4242(7) 0.044 Uiso 1 calc R
H9B H -0.2491(8) -0.3133(6) 0.3624(7) 0.044 Uiso 1 calc R
H1 H -0.1459(81) 0.1960(60) 0.0121(74) 0.050(18) Uiso 1 d .
H1W1 H 0.0209 -0.5415 0.1600 0.080 Uiso 0.50 d P
H1W2 H 0.2263 -0.5243 0.2221 0.080 Uiso 0.50 d P
H2W2 H 0.0879 -0.5467 0.2801 0.080 Uiso 0.50 d P
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'
K K 0.2009 0.2494 '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
N2 Ni1 N4 96.7(2) . .
N2 Ni1 N1 83.0(2) . .
N4 Ni1 N1 178.2(2) . .
N2 Ni1 N3 178.8(2) . .
N4 Ni1 N3 82.1(2) . .
N1 Ni1 N3 98.2(2) . .
N2 Ni1 Ni1 108.02(14) . 2_455
N4 Ni1 Ni1 89.50(14) . 2_455
N1 Ni1 Ni1 88.93(15) . 2_455
N3 Ni1 Ni1 71.85(14) . 2_455
O1W2 K1 O4 122.8(4) . 2_556
O1W2 K1 O1 106.0(4) . 2
O4 K1 O1 118.60(14) 2_556 2
O1W2 K1 O1W1 21.8(4) . .
O4 K1 O1W1 140.9(3) 2_556 .
O1 K1 O1W1 84.5(3) 2 .
O1W2 K1 O4 143.0(4) . 1_655
O4 K1 O4 78.77(13) 2_556 1_655
O1 K1 O4 83.75(12) 2 1_655
O1W1 K1 O4 138.2(3) . 1_655
O1W2 K1 O5 81.5(4) . .
O4 K1 O5 78.91(13) 2_556 .
O1 K1 O5 73.57(11) 2 .
O1W1 K1 O5 78.5(3) . .
O4 K1 O5 134.97(11) 1_655 .
O1W2 K1 N6 89.5(3) . 1_655
O4 K1 N6 128.37(13) 2_556 1_655
O1 K1 N6 82.38(13) 2 1_655
O1W1 K1 N6 82.9(3) . 1_655
O4 K1 N6 55.82(12) 1_655 1_655
O5 K1 N6 150.70(14) . 1_655
O1W2 K1 O1W3 47.0(5) . .
O4 K1 O1W3 95.5(2) 2_556 .
O1 K1 O1W3 145.8(2) 2 .
O1W1 K1 O1W3 65.8(3) . .
O4 K1 O1W3 106.7(2) 1_655 .
O5 K1 O1W3 114.0(2) . .
N6 K1 O1W3 77.6(2) 1_655 .
O1W2 K1 C4 131.0(3) . 1_655
O4 K1 C4 98.06(14) 2_556 1_655
O1 K1 C4 70.39(12) 2 1_655
O1W1 K1 C4 120.2(3) . 1_655
O4 K1 C4 19.78(13) 1_655 1_655
O5 K1 C4 136.76(12) . 1_655
N6 K1 C4 41.71(11) 1_655 1_655
O1W3 K1 C4 109.2(2) . 1_655
O1W2 K1 K1 150.8(4) . 2_656
O4 K1 K1 41.27(8) 2_556 2_656
O1 K1 K1 102.94(10) 2 2_656
O1W1 K1 K1 169.3(3) . 2_656
O4 K1 K1 37.50(9) 1_655 2_656
O5 K1 K1 110.85(10) . 2_656
N6 K1 K1 90.43(9) 1_655 2_656
O1W3 K1 K1 104.6(2) . 2_656
C4 K1 K1 56.92(10) 1_655 2_656
O1W2 K1 K1 105.1(4) . 2_455
O4 K1 K1 84.55(9) 2_556 2_455
O1 K1 K1 45.87(9) 2 2_455
O1W1 K1 K1 93.0(3) . 2_455
O4 K1 K1 106.81(9) 1_655 2_455
O5 K1 K1 32.41(7) . 2_455
N6 K1 K1 128.18(9) 1_655 2_455
O1W3 K1 K1 145.8(2) . 2_455
C4 K1 K1 104.53(9) 1_655 2_455
K1 K1 K1 97.79(5) 2_656 2_455
H1 O1 N1 102.0(24) . .
H1 O1 O3 5.6(26) . .
N1 O1 O3 98.2(3) . .
H1 O1 K1 118.1(26) . 2
N1 O1 K1 128.5(3) . 2
O3 O1 K1 118.9(2) . 2
H1 O3 N3 102.3(23) . .
H1 O3 O1 5.3(25) . .
N3 O3 O1 98.3(3) . .
C4 O4 K1 147.3(3) . 2_556
C4 O4 K1 108.9(3) . 1_455
K1 O4 K1 101.23(13) 2_556 1_455
C9 O5 C8 110.6(4) . .
C9 O5 K1 137.7(4) . .
C8 O5 K1 107.1(3) . .
O1W2 O1W1 K1 63.5(11) . .
O1W1 O1W2 K1 94.7(13) . .
C2 N1 O1 119.9(5) . .
C2 N1 Ni1 117.3(4) . .
O1 N1 Ni1 122.8(4) . .
C3 N2 N5 117.4(4) . .
C3 N2 Ni1 117.1(3) . .
N5 N2 Ni1 125.5(4) . .
C5 N3 O3 120.3(4) . .
C5 N3 Ni1 117.4(3) . .
O3 N3 Ni1 122.2(4) . .
C4 N4 N6 116.6(4) . .
C4 N4 Ni1 117.6(3) . .
N6 N4 Ni1 125.7(3) . .
N2 N5 C8 111.3(4) . .
N2 N5 C7 110.1(4) . .
C8 N5 C7 109.6(4) . .
N4 N6 C9 110.1(4) . .
N4 N6 C7 109.3(4) . .
C9 N6 C7 108.5(4) . .
N4 N6 K1 103.1(3) . 1_455
C9 N6 K1 124.4(3) . 1_455
C7 N6 K1 100.6(3) . 1_455
N1 C2 C1 125.7(5) . .
N1 C2 C3 111.9(5) . .
C1 C2 C3 122.3(5) . .
O2 C3 N2 128.9(5) . .
O2 C3 C2 120.5(6) . .
N2 C3 C2 110.6(5) . .
O4 C4 N4 128.2(4) . .
O4 C4 C5 121.0(5) . .
N4 C4 C5 110.8(5) . .
O4 C4 K1 51.4(2) . 1_455
N4 C4 K1 85.0(3) . 1_455
C5 C4 K1 146.1(3) . 1_455
N3 C5 C6 124.2(5) . .
N3 C5 C4 111.9(5) . .
C6 C5 C4 123.9(6) . .
N5 C7 N6 114.3(4) . .
N5 C8 O5 114.3(4) . .
O5 C9 N6 113.5(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N2 1.843(4) .
Ni1 N4 1.851(4) .
Ni1 N1 1.861(4) .
Ni1 N3 1.878(4) .
Ni1 Ni1 3.798(2) 2_455
K1 O1W2 2.538(12) .
K1 O4 2.650(4) 2_556
K1 O1 2.747(4) 2
K1 O1W1 2.826(12) .
K1 O4 2.872(4) 1_655
K1 O5 2.951(4) .
K1 N6 2.993(4) 1_655
K1 O1W3 3.074(9) .
K1 C4 3.480(5) 1_655
K1 K1 4.270(4) 2_656
K1 K1 14.532(4) 2_455
O1 H1 1.19(7) .
O1 N1 1.352(5) .
O1 O3 2.436(6) .
O1 K1 2.747(4) 2
O2 C3 1.249(7) .
O3 H1 1.26(7) .
O3 N3 1.347(5) .
O4 C4 1.245(7) .
O4 K1 2.650(4) 2_556
O4 K1 2.872(4) 1_455
O5 C9 1.407(7) .
O5 C8 1.442(8) .
O1W1 O1W2 1.05(2) .
N1 C2 1.285(7) .
N2 C3 1.323(8) .
N2 N5 1.420(5) .
N3 C5 1.276(7) .
N4 C4 1.308(7) .
N4 N6 1.450(5) .
N5 C8 1.429(7) .
N5 C7 1.455(7) .
N6 C9 1.465(7) .
N6 C7 1.474(7) .
N6 K1 2.993(4) 1_455
C1 C2 1.483(8) .
C2 C3 1.509(7) .
C4 C5 1.506(6) .
C4 K1 3.480(5) 1_455
C5 C6 1.460(8) .
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
H1 O1 O3 H1 0.000(14) . .
N1 O1 O3 H1 133.7(269) . .
K1 O1 O3 H1 -83.4(269) 2 .
H1 O1 O3 N3 -138.3(269) . .
N1 O1 O3 N3 -4.6(4) . .
K1 O1 O3 N3 138.3(3) 2 .
O1W2 K1 O5 C9 108.4(5) . .
O4 K1 O5 C9 -17.5(4) 2_556 .
O1 K1 O5 C9 -142.0(4) 2 .
O1W1 K1 O5 C9 130.3(5) . .
O4 K1 O5 C9 -79.1(4) 1_655 .
N6 K1 O5 C9 -178.2(4) 1_655 .
O1W3 K1 O5 C9 73.6(5) . .
C4 K1 O5 C9 -107.6(4) 1_655 .
K1 K1 O5 C9 -44.1(4) 2_656 .
K1 K1 O5 C9 -114.9(5) 2_455 .
O1W2 K1 O5 C8 -43.8(5) . .
O4 K1 O5 C8 -169.7(3) 2_556 .
O1 K1 O5 C8 65.8(3) 2 .
O1W1 K1 O5 C8 -21.8(4) . .
O4 K1 O5 C8 128.7(3) 1_655 .
N6 K1 O5 C8 29.7(4) 1_655 .
O1W3 K1 O5 C8 -78.5(4) . .
C4 K1 O5 C8 100.3(3) 1_655 .
K1 K1 O5 C8 163.7(3) 2_656 .
K1 K1 O5 C8 92.9(3) 2_455 .
O1W2 K1 O1W1 O1W2 0.000(2) . .
O4 K1 O1W1 O1W2 -40.1(18) 2_556 .
O1 K1 O1W1 O1W2 -170.2(15) 2 .
O4 K1 O1W1 O1W2 115.4(14) 1_655 .
O5 K1 O1W1 O1W2 -95.9(15) . .
N6 K1 O1W1 O1W2 106.8(15) 1_655 .
O1W3 K1 O1W1 O1W2 27.2(14) . .
C4 K1 O1W1 O1W2 126.2(14) 1_655 .
K1 K1 O1W1 O1W2 55.0(24) 2_656 .
K1 K1 O1W1 O1W2 -125.1(15) 2_455 .
K1 O1W1 O1W2 K1 0.0 . .
O4 K1 O1W2 O1W1 151.1(13) 2_556 .
O1 K1 O1W2 O1W1 10.1(16) 2 .
O1W1 K1 O1W2 O1W1 0.000(3) . .
O4 K1 O1W2 O1W1 -91.0(17) 1_655 .
O5 K1 O1W2 O1W1 80.2(15) . .
N6 K1 O1W2 O1W1 -71.8(15) 1_655 .
O1W3 K1 O1W2 O1W1 -145.2(18) . .
C4 K1 O1W2 O1W1 -67.6(17) 1_655 .
K1 K1 O1W2 O1W1 -161.8(11) 2_656 .
K1 K1 O1W2 O1W1 57.8(15) 2_455 .
H1 O1 N1 C2 -173.8(28) . .
O3 O1 N1 C2 -177.9(4) . .
K1 O1 N1 C2 44.5(6) 2 .
H1 O1 N1 Ni1 5.7(29) . .
O3 O1 N1 Ni1 1.6(4) . .
K1 O1 N1 Ni1 -136.0(3) 2 .
N2 Ni1 N1 C2 0.2(4) . .
N4 Ni1 N1 C2 -80.6(63) . .
N3 Ni1 N1 C2 -179.6(4) . .
Ni1 Ni1 N1 C2 -108.1(4) 2_455 .
N2 Ni1 N1 O1 -179.2(4) . .
N4 Ni1 N1 O1 99.9(62) . .
N3 Ni1 N1 O1 1.0(4) . .
Ni1 Ni1 N1 O1 72.5(4) 2_455 .
N4 Ni1 N2 C3 177.0(4) . .
N1 Ni1 N2 C3 -1.2(4) . .
N3 Ni1 N2 C3 169.3(92) . .
Ni1 Ni1 N2 C3 85.4(4) 2_455 .
N4 Ni1 N2 N5 -3.8(4) . .
N1 Ni1 N2 N5 177.9(4) . .
N3 Ni1 N2 N5 -11.6(97) . .
Ni1 Ni1 N2 N5 -95.5(4) 2_455 .
H1 O3 N3 C5 -179.9(27) . .
O1 O3 N3 C5 -176.3(4) . .
H1 O3 N3 Ni1 2.3(27) . .
O1 O3 N3 Ni1 5.9(4) . .
N2 Ni1 N3 C5 6.1(97) . .
N4 Ni1 N3 C5 -1.7(4) . .
N1 Ni1 N3 C5 176.6(4) . .
Ni1 Ni1 N3 C5 90.4(4) 2_455 .
N2 Ni1 N3 O3 -176.1(93) . .
N4 Ni1 N3 O3 176.1(4) . .
N1 Ni1 N3 O3 -5.6(4) . .
Ni1 Ni1 N3 O3 -91.8(4) 2_455 .
N2 Ni1 N4 C4 -176.1(4) . .
N1 Ni1 N4 C4 -95.5(62) . .
N3 Ni1 N4 C4 3.7(4) . .
Ni1 Ni1 N4 C4 -68.0(4) 2_455 .
N2 Ni1 N4 N6 1.8(4) . .
N1 Ni1 N4 N6 82.4(63) . .
N3 Ni1 N4 N6 -178.4(4) . .
Ni1 Ni1 N4 N6 109.9(4) 2_455 .
C3 N2 N5 C8 92.2(6) . .
Ni1 N2 N5 C8 -86.9(5) . .
C3 N2 N5 C7 -146.0(5) . .
Ni1 N2 N5 C7 34.9(6) . .
C4 N4 N6 C9 -93.3(5) . .
Ni1 N4 N6 C9 88.8(5) . .
C4 N4 N6 C7 147.6(5) . .
Ni1 N4 N6 C7 -30.3(5) . .
C4 N4 N6 K1 41.3(5) . 1_455
Ni1 N4 N6 K1 -136.6(3) . 1_455
O1 N1 C2 C1 1.9(8) . .
Ni1 N1 C2 C1 -177.6(5) . .
O1 N1 C2 C3 -179.9(4) . .
Ni1 N1 C2 C3 0.6(6) . .
N5 N2 C3 O2 3.0(9) . .
Ni1 N2 C3 O2 -177.8(5) . .
N5 N2 C3 C2 -177.4(4) . .
Ni1 N2 C3 C2 1.7(6) . .
N1 C2 C3 O2 178.1(5) . .
C1 C2 C3 O2 -3.7(8) . .
N1 C2 C3 N2 -1.5(7) . .
C1 C2 C3 N2 176.7(5) . .
K1 O4 C4 N4 164.6(4) 2_556 .
K1 O4 C4 N4 -39.5(7) 1_455 .
K1 O4 C4 C5 -16.5(10) 2_556 .
K1 O4 C4 C5 139.4(4) 1_455 .
K1 O4 C4 K1 -155.8(8) 2_556 1_455
K1 O4 C4 K1 0.0 1_455 1_455
N6 N4 C4 O4 -3.8(8) . .
Ni1 N4 C4 O4 174.3(5) . .
N6 N4 C4 C5 177.2(4) . .
Ni1 N4 C4 C5 -4.7(6) . .
N6 N4 C4 K1 -33.7(4) . 1_455
Ni1 N4 C4 K1 144.4(3) . 1_455
O3 N3 C5 C6 -0.8(9) . .
Ni1 N3 C5 C6 177.0(4) . .
O3 N3 C5 C4 -178.2(4) . .
Ni1 N3 C5 C4 -0.4(6) . .
O4 C4 C5 N3 -175.9(5) . .
N4 C4 C5 N3 3.2(7) . .
K1 C4 C5 N3 -110.2(7) 1_455 .
O4 C4 C5 C6 6.7(8) . .
N4 C4 C5 C6 -174.2(5) . .
K1 C4 C5 C6 72.4(9) 1_455 .
N2 N5 C7 N6 -70.9(5) . .
C8 N5 C7 N6 51.9(5) . .
N4 N6 C7 N5 68.0(5) . .
C9 N6 C7 N5 -52.0(5) . .
K1 N6 C7 N5 176.0(3) 1_455 .
N2 N5 C8 O5 69.2(5) . .
C7 N5 C8 O5 -52.8(5) . .
C9 O5 C8 N5 55.7(5) . .
K1 O5 C8 N5 -143.9(3) . .
C8 O5 C9 N6 -56.1(5) . .
K1 O5 C9 N6 152.4(3) . .
N4 N6 C9 O5 -65.4(5) . .
C7 N6 C9 O5 54.1(5) . .
K1 N6 C9 O5 171.8(3) 1_455 .
