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#$Date: 2016-03-26 03:18:32 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180177 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/73/7107335.cif $
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#
# 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_7107335
loop_
_publ_author_name
'Alfredo Medina-Molner'
'Bernhard Spingler'
_publ_section_title
;
 When two metal centres are needed instead of one: exclusive induction of
 Z-DNA by dinuclear metal complexes
;
_journal_name_full               Chem.Commun.
_journal_page_first              1961
_journal_paper_doi               10.1039/c2cc16483c
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C27 H60 F6 N6 Ni2 O14 S2'
_chemical_formula_weight         988.35
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 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                 98.454(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.1025(10)
_cell_length_b                   15.5813(8)
_cell_length_c                   17.0644(11)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    183(2)
_cell_volume                     4234.9(4)
_computing_cell_refinement       'IPDS (Stoe, 1999)'
_computing_data_collection       'IPDS (Stoe, 1999)'
_computing_data_reduction        'X-RED (Stoe, 1999)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       '/f oscillation scan'
_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  0.0474
_diffrn_reflns_av_sigmaI/netI    0.0390
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            17183
_diffrn_reflns_theta_full        30.47
_diffrn_reflns_theta_max         30.47
_diffrn_reflns_theta_min         2.87
_diffrn_standards_interval_count 'every image'
_diffrn_standards_interval_time  11
_diffrn_standards_number         50-200
_exptl_absorpt_coefficient_mu    1.080
_exptl_absorpt_correction_T_max  0.9064
_exptl_absorpt_correction_T_min  0.7695
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2072
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.001
_refine_diff_density_min         -0.595
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       0.0085(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         6269
_refine_ls_number_restraints     95
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0658
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1306P)²+2.3058P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1939
_refine_ls_wR_factor_ref         0.2106
_reflns_number_gt                4594
_reflns_number_total             6269
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc16483c.txt
_cod_data_source_block           am181203
_cod_original_sg_symbol_H-M      I2/a
_cod_database_code               7107335
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.09357(2) 0.19926(2) 0.05704(2) 0.03972(17) Uani 1 1 d . A .
C1A C 0.0759(4) 0.3680(4) 0.1256(4) 0.0512(12) Uani 0.55 1 d PU A 1
C1B C 0.1707(4) 0.3532(5) 0.1469(5) 0.0480(13) Uani 0.45 1 d PU A 2
C2 C 0.1267(2) 0.3392(3) 0.2126(3) 0.0629(10) Uani 1 1 d . . .
C3 C 0.1343(3) 0.2435(4) 0.2277(3) 0.0793(14) Uani 1 1 d . A .
H3A H 0.1911 0.2259 0.2225 0.095 Uiso 1 1 calc R . .
H3B H 0.1262 0.2326 0.2821 0.095 Uiso 1 1 calc R . .
C4 C -0.0090(4) 0.1887(3) 0.1975(3) 0.0753(13) Uani 1 1 d . A .
H4A H -0.0238 0.2473 0.2085 0.090 Uiso 1 1 calc R . .
H4B H -0.0070 0.1564 0.2463 0.090 Uiso 1 1 calc R . .
C5 C -0.0774(3) 0.1517(3) 0.1371(4) 0.0777(15) Uani 1 1 d . . .
H5A H -0.0605 0.0948 0.1225 0.093 Uiso 1 1 calc R . .
H5B H -0.1279 0.1453 0.1615 0.093 Uiso 1 1 calc R . .
C6 C -0.0981(3) 0.2046(4) 0.0632(5) 0.095(2) Uani 1 1 d . A .
H6A H -0.1501 0.1834 0.0337 0.114 Uiso 1 1 calc R . .
H6B H -0.1077 0.2633 0.0784 0.114 Uiso 1 1 calc R . .
C7 C -0.0502(5) 0.2711(5) -0.0541(4) 0.114(3) Uani 1 1 d . A .
H7A H -0.1092 0.2690 -0.0762 0.137 Uiso 1 1 calc R . .
H7B H -0.0180 0.2573 -0.0962 0.137 Uiso 1 1 calc R . .
C8 C -0.0282(3) 0.3622(3) -0.0246(3) 0.0724(13) Uani 1 1 d . . .
C9A C 0.0595(4) 0.3688(4) -0.0188(4) 0.0520(12) Uani 0.55 1 d PU A 1
C9B C 0.0389(4) 0.3833(5) 0.0586(5) 0.0449(12) Uani 0.45 1 d PU A 2
C10A C 0.1998(4) 0.3597(4) 0.0584(4) 0.0494(11) Uani 0.55 1 d PU A 1
C10B C 0.1689(4) 0.3678(4) 0.0041(5) 0.0420(12) Uani 0.45 1 d PU A 2
C11 C 0.2500 0.3301(3) 0.0000 0.0667(16) Uani 1 2 d S . .
C20 C 0.1883(2) 0.0706(2) 0.0847(2) 0.0491(7) Uani 1 1 d . A .
C21 C 0.2483(3) -0.0029(3) 0.1031(3) 0.0596(9) Uani 1 1 d . . .
H21A H 0.2678 -0.0045 0.1590 0.072 Uiso 1 1 calc R . .
H21B H 0.2953 0.0045 0.0750 0.072 Uiso 1 1 calc R . .
H21C H 0.2203 -0.0558 0.0871 0.072 Uiso 1 1 calc R . .
C22 C 0.2338(3) -0.1169(3) 0.3097(4) 0.0740(13) Uani 1 1 d . . .
N1 N 0.11495(18) 0.33233(19) 0.06049(18) 0.0474(6) Uani 1 1 d . . .
N2 N 0.0745(3) 0.1887(2) 0.1746(2) 0.0597(8) Uani 1 1 d D . .
H27 H 0.078(3) 0.1339(15) 0.188(3) 0.072 Uiso 1 1 d D . .
N3 N -0.03302(19) 0.2050(2) 0.0097(2) 0.0575(8) Uani 1 1 d . . .
H26 H -0.034(3) 0.161(4) -0.009(3) 0.069 Uiso 1 1 d . . .
O20 O 0.21712(14) 0.14731(15) 0.09100(16) 0.0492(5) Uani 1 1 d . . .
O21 O 0.11076(15) 0.05854(16) 0.06382(15) 0.0508(5) Uani 1 1 d . . .
O22 O 0.16289(18) 0.02609(18) 0.2624(2) 0.0641(7) Uani 1 1 d . . .
O23 O 0.0765(2) -0.0974(3) 0.2771(2) 0.0832(10) Uani 1 1 d . . .
O24 O 0.1470(3) -0.0278(3) 0.3925(2) 0.1014(13) Uani 1 1 d . . .
O25 O 0.11616(15) 0.18063(16) -0.06297(15) 0.0457(5) Uani 1 1 d D . .
H22 H 0.084(2) 0.142(2) -0.079(3) 0.055 Uiso 1 1 d D . .
H23 H 0.1644(15) 0.170(3) -0.068(3) 0.055 Uiso 1 1 d D . .
O26 O -0.01182(19) 0.0706(2) -0.11779(18) 0.0652(7) Uani 1 1 d D . .
H24 H -0.042(3) 0.037(3) -0.099(3) 0.078 Uiso 1 1 d D . .
H25 H -0.026(3) 0.075(4) -0.1666(13) 0.078 Uiso 1 1 d D . .
F22 F 0.30580(18) -0.0779(3) 0.3256(4) 0.147(2) Uani 1 1 d . . .
F23 F 0.2324(2) -0.1835(2) 0.3581(2) 0.0888(10) Uani 1 1 d . . .
F24 F 0.2326(3) -0.1499(2) 0.2361(3) 0.1227(17) Uani 1 1 d . . .
S22 S 0.14534(5) -0.04526(6) 0.31112(5) 0.0499(2) 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'
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'
S S 0.1246 0.1234 '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 N3 95.92(16) . .
N2 Ni1 N1 95.64(13) . .
N3 Ni1 N1 96.63(13) . .
N2 Ni1 O20 88.38(13) . .
N3 Ni1 O20 159.51(12) . .
N1 Ni1 O20 102.88(10) . .
N2 Ni1 O25 167.62(12) . .
N3 Ni1 O25 85.94(12) . .
N1 Ni1 O25 96.31(10) . .
O20 Ni1 O25 85.78(10) . .
N2 Ni1 O21 84.59(12) . .
N3 Ni1 O21 99.84(12) . .
N1 Ni1 O21 163.42(11) . .
O20 Ni1 O21 60.53(9) . .
O25 Ni1 O21 83.03(9) . .
N1 C1A C2 111.6(4) . .
C2 C1B N1 113.9(5) . .
C1B C2 C3 104.3(4) . .
C1B C2 C1A 59.3(4) . .
C3 C2 C1A 116.0(4) . .
N2 C3 C2 115.5(4) . .
N2 C4 C5 115.4(4) . .
C6 C5 C4 114.4(4) . .
N3 C6 C5 115.4(4) . .
N3 C7 C8 113.0(4) . .
C9A C8 C7 105.8(5) . .
C9A C8 C9B 54.1(4) . .
C7 C8 C9B 123.2(4) . .
C8 C9A N1 117.4(5) . .
N1 C9B C8 110.2(5) . .
N1 C10A C11 123.4(5) . .
C11 C10B N1 119.8(5) . .
C10B C11 C10B 131.9(7) 2 .
C10B C11 C10A 40.2(4) 2 2
C10B C11 C10A 120.3(4) . 2
C10B C11 C10A 120.3(4) 2 .
C10B C11 C10A 40.2(4) . .
C10A C11 C10A 142.8(6) 2 .
O21 C20 O20 119.7(3) . .
O21 C20 C21 121.7(3) . .
O20 C20 C21 118.6(3) . .
F22 C22 F23 109.4(5) . .
F22 C22 F24 105.1(5) . .
F23 C22 F24 106.3(4) . .
F22 C22 S22 112.8(4) . .
F23 C22 S22 112.8(3) . .
F24 C22 S22 110.0(4) . .
C10A N1 C9B 129.6(4) . .
C10A N1 C1A 114.9(4) . .
C9B N1 C1A 49.9(4) . .
C10A N1 C10B 39.6(4) . .
C9B N1 C10B 110.6(4) . .
C1A N1 C10B 134.7(4) . .
C10A N1 C9A 106.6(4) . .
C9B N1 C9A 55.2(4) . .
C1A N1 C9A 104.9(4) . .
C10B N1 C9A 68.4(4) . .
C10A N1 C1B 64.3(4) . .
C9B N1 C1B 105.0(4) . .
C1A N1 C1B 58.8(4) . .
C10B N1 C1B 102.2(4) . .
C9A N1 C1B 147.8(4) . .
C10A N1 Ni1 116.4(3) . .
C9B N1 Ni1 113.8(3) . .
C1A N1 Ni1 108.0(3) . .
C10B N1 Ni1 117.1(3) . .
C9A N1 Ni1 104.8(3) . .
C1B N1 Ni1 106.6(3) . .
C4 N2 C3 112.1(4) . .
C4 N2 Ni1 122.2(3) . .
C3 N2 Ni1 111.6(3) . .
C6 N3 C7 112.2(4) . .
C6 N3 Ni1 120.0(3) . .
C7 N3 Ni1 112.2(4) . .
C20 O20 Ni1 91.07(19) . .
C20 O21 Ni1 88.7(2) . .
O24 S22 O23 114.3(3) . .
O24 S22 O22 116.2(2) . .
O23 S22 O22 114.3(2) . .
O24 S22 C22 103.3(3) . .
O23 S22 C22 102.0(3) . .
O22 S22 C22 104.27(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N2 2.080(3) .
Ni1 N3 2.081(3) .
Ni1 N1 2.101(3) .
Ni1 O20 2.147(2) .
Ni1 O25 2.152(2) .
Ni1 O21 2.211(3) .
C1A N1 1.464(7) .
C1A C2 1.648(9) .
C1B C2 1.429(9) .
C1B N1 1.642(8) .
C2 C3 1.515(8) .
C3 N2 1.491(6) .
C4 N2 1.454(6) .
C4 C5 1.508(8) .
C5 C6 1.503(10) .
C6 N3 1.487(7) .
C7 N3 1.494(8) .
C7 C8 1.530(10) .
C8 C9A 1.405(8) .
C8 C9B 1.686(9) .
C9A N1 1.611(7) .
C9B N1 1.456(7) .
C10A N1 1.437(6) .
C10A C11 1.448(6) .
C10B C11 1.442(7) .
C10B N1 1.494(7) .
C11 C10B 1.442(7) 2
C11 C10A 1.448(6) 2
C20 O21 1.261(4) .
C20 O20 1.281(4) .
C20 C21 1.503(5) .
C22 F22 1.302(6) .
C22 F23 1.328(5) .
C22 F24 1.355(7) .
C22 S22 1.813(5) .
O22 S22 1.441(3) .
O23 S22 1.427(3) .
O24 S22 1.411(4) .
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_4
N1 C1B C2 C3 82.1(6) .
N1 C1B C2 C1A -30.0(4) .
N1 C1A C2 C1B 33.4(5) .
N1 C1A C2 C3 -58.3(6) .
C1B C2 C3 N2 -80.4(6) .
C1A C2 C3 N2 -18.0(6) .
N2 C4 C5 C6 -68.4(6) .
C4 C5 C6 N3 70.9(5) .
N3 C7 C8 C9A 78.0(6) .
N3 C7 C8 C9B 20.9(8) .
C7 C8 C9A N1 -83.0(6) .
C9B C8 C9A N1 36.8(5) .
C9A C8 C9B N1 -38.8(5) .
C7 C8 C9B N1 47.2(7) .
N1 C10B C11 C10B -136.2(6) 2
N1 C10B C11 C10A 175.4(5) 2
N1 C10B C11 C10A -47.0(6) .
N1 C10A C11 C10B 172.8(6) 2
N1 C10A C11 C10B 52.2(6) .
N1 C10A C11 C10A 126.7(6) 2
C11 C10A N1 C9B -124.1(6) .
C11 C10A N1 C1A 178.4(5) .
C11 C10A N1 C10B -50.7(6) .
C11 C10A N1 C9A -65.9(7) .
C11 C10A N1 C1B 147.3(7) .
C11 C10A N1 Ni1 50.7(7) .
C8 C9B N1 C10A 115.5(6) .
C8 C9B N1 C1A -153.3(7) .
C8 C9B N1 C10B 74.9(6) .
C8 C9B N1 C9A 32.6(4) .
C8 C9B N1 C1B -175.6(5) .
C8 C9B N1 Ni1 -59.4(5) .
C2 C1A N1 C10A -61.7(6) .
C2 C1A N1 C9B 176.5(7) .
C2 C1A N1 C10B -104.3(6) .
C2 C1A N1 C9A -178.4(4) .
C2 C1A N1 C1B -28.8(4) .
C2 C1A N1 Ni1 70.2(5) .
C11 C10B N1 C10A 48.3(6) .
C11 C10B N1 C9B 176.2(6) .
C11 C10B N1 C1A 122.8(6) .
C11 C10B N1 C9A -147.4(7) .
C11 C10B N1 C1B 64.9(6) .
C11 C10B N1 Ni1 -51.2(7) .
C8 C9A N1 C10A -170.1(5) .
C8 C9A N1 C9B -43.1(6) .
C8 C9A N1 C1A -47.8(7) .
C8 C9A N1 C10B 179.5(7) .
C8 C9A N1 C1B -102.1(8) .
C8 C9A N1 Ni1 65.8(6) .
C2 C1B N1 C10A -178.7(7) .
C2 C1B N1 C9B 54.2(7) .
C2 C1B N1 C1A 34.4(5) .
C2 C1B N1 C10B 169.6(5) .
C2 C1B N1 C9A 100.9(8) .
C2 C1B N1 Ni1 -66.9(6) .
N2 Ni1 N1 C10A 108.2(4) .
N3 Ni1 N1 C10A -155.1(4) .
O20 Ni1 N1 C10A 18.6(4) .
O25 Ni1 N1 C10A -68.5(4) .
O21 Ni1 N1 C10A 18.3(6) .
N2 Ni1 N1 C9B -76.1(4) .
N3 Ni1 N1 C9B 20.5(4) .
O20 Ni1 N1 C9B -165.8(4) .
O25 Ni1 N1 C9B 107.1(4) .
O21 Ni1 N1 C9B -166.1(4) .
N2 Ni1 N1 C1A -22.8(4) .
N3 Ni1 N1 C1A 73.9(3) .
O20 Ni1 N1 C1A -112.4(3) .
O25 Ni1 N1 C1A 160.5(3) .
O21 Ni1 N1 C1A -112.7(4) .
N2 Ni1 N1 C10B 152.8(4) .
N3 Ni1 N1 C10B -110.6(4) .
O20 Ni1 N1 C10B 63.1(4) .
O25 Ni1 N1 C10B -24.0(4) .
O21 Ni1 N1 C10B 62.8(6) .
N2 Ni1 N1 C9A -134.2(3) .
N3 Ni1 N1 C9A -37.6(3) .
O20 Ni1 N1 C9A 136.2(3) .
O25 Ni1 N1 C9A 49.1(3) .
O21 Ni1 N1 C9A 135.8(4) .
N2 Ni1 N1 C1B 39.1(3) .
N3 Ni1 N1 C1B 135.8(3) .
O20 Ni1 N1 C1B -50.5(3) .
O25 Ni1 N1 C1B -137.6(3) .
O21 Ni1 N1 C1B -50.8(5) .
C5 C4 N2 C3 166.8(4) .
C5 C4 N2 Ni1 30.4(6) .
C2 C3 N2 C4 -78.1(5) .
C2 C3 N2 Ni1 63.0(5) .
N3 Ni1 N2 C4 -0.9(3) .
N1 Ni1 N2 C4 96.4(3) .
O20 Ni1 N2 C4 -160.8(3) .
O25 Ni1 N2 C4 -98.9(6) .
O21 Ni1 N2 C4 -100.2(3) .
N3 Ni1 N2 C3 -137.5(3) .
N1 Ni1 N2 C3 -40.2(3) .
O20 Ni1 N2 C3 62.6(3) .
O25 Ni1 N2 C3 124.5(5) .
O21 Ni1 N2 C3 123.1(3) .
C5 C6 N3 C7 -169.3(5) .
C5 C6 N3 Ni1 -34.3(5) .
C8 C7 N3 C6 76.7(6) .
C8 C7 N3 Ni1 -61.9(5) .
N2 Ni1 N3 C6 2.6(4) .
N1 Ni1 N3 C6 -93.8(3) .
O20 Ni1 N3 C6 104.0(4) .
O25 Ni1 N3 C6 170.3(3) .
O21 Ni1 N3 C6 88.1(3) .
N2 Ni1 N3 C7 137.6(3) .
N1 Ni1 N3 C7 41.3(3) .
O20 Ni1 N3 C7 -121.0(4) .
O25 Ni1 N3 C7 -54.6(3) .
O21 Ni1 N3 C7 -136.8(3) .
O21 C20 O20 Ni1 0.4(3) .
C21 C20 O20 Ni1 -179.3(3) .
N2 Ni1 O20 C20 84.5(2) .
N3 Ni1 O20 C20 -18.2(5) .
N1 Ni1 O20 C20 179.9(2) .
O25 Ni1 O20 C20 -84.6(2) .
O21 Ni1 O20 C20 -0.20(19) .
O20 C20 O21 Ni1 -0.3(3) .
C21 C20 O21 Ni1 179.3(3) .
N2 Ni1 O21 C20 -91.0(2) .
N3 Ni1 O21 C20 173.9(2) .
N1 Ni1 O21 C20 0.6(5) .
O20 Ni1 O21 C20 0.2(2) .
O25 Ni1 O21 C20 89.3(2) .
F22 C22 S22 O24 -72.4(5) .
F23 C22 S22 O24 52.1(5) .
F24 C22 S22 O24 170.6(4) .
F22 C22 S22 O23 168.7(4) .
F23 C22 S22 O23 -66.7(5) .
F24 C22 S22 O23 51.7(4) .
F22 C22 S22 O22 49.5(5) .
F23 C22 S22 O22 174.0(4) .
F24 C22 S22 O22 -67.5(4) .
