#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/23/7102359.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_7102359
loop_
_publ_author_name
'Breeze, Barbara A'
'Shanmugam, Muralidharan'
'Tuna, Floriana'
'Winpenny, Richard E P'
_publ_section_title
;
 A series of nickel phosphonate-carboxylate cages.
;
_journal_issue                   48
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5185
_journal_page_last               5187
_journal_paper_doi               10.1039/b711650k
_journal_year                    2007
_chemical_formula_sum            'C87.2 H133 Cl3.6 N6.2 Ni9 O36 P2'
_chemical_formula_weight         2562.15
_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                 97.160(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.1594(5)
_cell_length_b                   22.9262(5)
_cell_length_c                   34.2611(9)
_cell_measurement_reflns_used    41010
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.0588
_cell_measurement_theta_min      2.6666
_cell_volume                     11814.5(6)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
(compiled Aug 28 2006,13:05:05)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
(compiled Aug 28 2006,13:05:05)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
(compiled Aug 28 2006,13:05:05)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3367
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Diffraction XCalibur 2'
_diffrn_measurement_method       'phi and omega 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  0.0648
_diffrn_reflns_av_sigmaI/netI    0.0473
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            92580
_diffrn_reflns_theta_full        21.97
_diffrn_reflns_theta_max         21.97
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    1.583
_exptl_absorpt_correction_T_max  0.5700
_exptl_absorpt_correction_T_min  0.3640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
(compiled Aug 28 2006,13:05:05)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            GREEN
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             5323
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.854
_refine_diff_density_min         -0.981
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.189
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1409
_refine_ls_number_reflns         14380
_refine_ls_number_restraints     825
_refine_ls_restrained_S_all      1.177
_refine_ls_R_factor_all          0.1190
_refine_ls_R_factor_gt           0.0699
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0285P)²+166.4697P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1499
_refine_ls_wR_factor_ref         0.1874
_reflns_number_gt                10046
_reflns_number_total             14380
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b711650k.txt
_cod_data_source_block           c409b1
_cod_original_sg_symbol_H-M      P2(1)/C
_cod_original_formula_sum        'C87.20 H133 Cl3.60 N6.20 Ni9 O36 P2'
_cod_database_code               7102359
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_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 -0.13555(9) 0.33612(6) 0.06038(4) 0.0314(3) Uani 1 1 d . . .
Ni2 Ni -0.29152(9) 0.28300(6) 0.01498(4) 0.0314(3) Uani 1 1 d . . .
Ni3 Ni -0.20009(8) 0.18003(5) 0.05556(4) 0.0269(3) Uani 1 1 d . . .
Ni4 Ni -0.17598(9) 0.11242(5) 0.13439(4) 0.0312(3) Uani 1 1 d . . .
Ni5 Ni -0.17531(10) 0.30991(6) 0.21557(4) 0.0406(4) Uani 1 1 d . . .
Ni6 Ni -0.18381(9) 0.17614(6) 0.21321(4) 0.0353(4) Uani 1 1 d . . .
Ni7 Ni -0.38537(9) 0.12619(6) 0.16028(4) 0.0330(3) Uani 1 1 d . . .
Ni8 Ni -0.37560(9) 0.28291(6) 0.17671(4) 0.0323(3) Uani 1 1 d . . .
Ni9 Ni -0.27370(8) 0.34250(5) 0.11684(4) 0.0287(3) Uani 1 1 d . . .
P1 P -0.11439(17) 0.24793(11) 0.13741(7) 0.0271(6) Uani 1 1 d . . .
P2 P -0.37933(17) 0.22232(11) 0.08885(8) 0.0274(6) Uani 1 1 d . . .
Cl12 Cl -0.5343(3) 0.34925(16) 0.24613(10) 0.0710(11) Uani 1 1 d . B .
Cl15 Cl -0.6138(3) 0.03604(16) 0.14011(13) 0.0842(12) Uani 1 1 d . B .
O1 O -0.1638(4) 0.2572(3) 0.03402(18) 0.0277(16) Uani 1 1 d . . .
O2 O -0.2717(4) 0.3439(3) 0.05768(18) 0.0276(16) Uani 1 1 d . B .
O3 O -0.2623(4) 0.1554(3) 0.16431(18) 0.0298(16) Uani 1 1 d . B .
O4 O -0.2580(4) 0.1072(3) 0.08061(19) 0.0313(16) Uani 1 1 d . . .
O101 O -0.1439(4) 0.3069(3) 0.11846(18) 0.0261(15) Uani 1 1 d . B .
O102 O -0.1544(4) 0.1961(3) 0.11375(18) 0.0281(16) Uani 1 1 d . B .
O103 O -0.1348(4) 0.2462(3) 0.18018(19) 0.0320(16) Uani 1 1 d . B .
O111 O -0.3235(4) 0.2205(3) 0.05439(17) 0.0280(16) Uani 1 1 d . B .
O112 O -0.3946(4) 0.1596(3) 0.10249(19) 0.0307(16) Uani 1 1 d . B .
O113 O -0.3354(4) 0.2614(3) 0.12256(18) 0.0286(16) Uani 1 1 d . B .
O120 O -0.2693(5) 0.2437(3) 0.22303(18) 0.0345(17) Uani 1 1 d . B .
O130 O -0.2764(4) 0.3431(3) 0.1766(2) 0.0342(17) Uani 1 1 d D B .
O140 O -0.0947(5) 0.1185(3) 0.1890(2) 0.0376(18) Uani 1 1 d . B .
O150 O -0.4402(5) 0.2069(3) 0.1752(2) 0.0365(18) Uani 1 1 d . B .
O160 O -0.1341(5) 0.3756(3) 0.0067(2) 0.045(2) Uani 1 1 d . . .
O161 O -0.2579(5) 0.3389(3) -0.0264(2) 0.0431(19) Uani 1 1 d . . .
O170 O -0.1086(5) 0.4167(3) 0.0831(2) 0.0410(19) Uani 1 1 d . B .
O171 O -0.2131(5) 0.4230(3) 0.1232(2) 0.0352(17) Uani 1 1 d . B .
O180 O -0.3116(5) 0.2226(3) -0.0287(2) 0.0418(19) Uani 1 1 d . . .
O181 O -0.2352(4) 0.1469(3) -0.0010(2) 0.0362(18) Uani 1 1 d . . .
O190 O -0.0869(4) 0.1348(3) 0.0534(2) 0.0353(17) Uani 1 1 d . . .
O191 O -0.0717(5) 0.0808(3) 0.1087(2) 0.0427(19) Uani 1 1 d . . .
O200 O -0.2147(5) 0.0316(3) 0.1491(2) 0.043(2) Uani 1 1 d . B .
O201 O -0.3628(5) 0.0439(3) 0.1417(2) 0.0422(19) Uani 1 1 d . B .
O210 O -0.0839(5) 0.2899(3) 0.2598(2) 0.051(2) Uani 1 1 d . B .
O211 O -0.0945(5) 0.1932(3) 0.2602(2) 0.0419(19) Uani 1 1 d . B .
O220 O -0.2349(5) 0.1144(3) 0.24557(19) 0.0388(18) Uani 1 1 d . B .
O221 O -0.3743(5) 0.0987(3) 0.2171(2) 0.0438(19) Uani 1 1 d . B .
O230 O -0.4708(5) 0.3369(3) 0.1533(2) 0.0392(18) Uani 1 1 d . B .
O231 O -0.3936(5) 0.3833(3) 0.1103(2) 0.0355(17) Uani 1 1 d . B .
O240 O 0.0011(4) 0.3201(3) 0.0589(2) 0.0330(17) Uani 1 1 d . A .
O241 O 0.0292(8) 0.3784(6) 0.0083(4) 0.061(4) Uani 0.65 1 d P A 1
O242 O 0.0449(16) 0.4114(10) 0.0590(7) 0.060(7) Uani 0.35 1 d P A 2
O250 O -0.4207(5) 0.3166(3) -0.0058(2) 0.0430(19) Uani 1 1 d . . .
O251 O -0.4286(5) 0.2840(4) -0.0679(2) 0.060(2) Uani 1 1 d . . .
O260 O -0.0938(6) 0.3745(3) 0.1954(2) 0.055(2) Uani 1 1 d . B .
N120 N -0.3923(6) 0.2886(4) 0.2378(3) 0.041(2) Uani 1 1 d . B .
N150 N -0.5295(6) 0.1329(4) 0.1586(3) 0.041(2) Uani 1 1 d . B .
C100 C 0.0033(6) 0.2396(5) 0.1386(3) 0.036(2) Uani 1 1 d U B .
H10A H 0.0191 0.1994 0.1474 0.043 Uiso 1 1 calc R . .
H10B H 0.0178 0.2435 0.1113 0.043 Uiso 1 1 calc R . .
C101 C 0.0613(7) 0.2808(6) 0.1639(3) 0.047(2) Uani 1 1 d U . .
C102 C 0.1080(8) 0.2631(7) 0.1989(4) 0.063(3) Uani 1 1 d U B .
H102 H 0.1001 0.2245 0.2080 0.076 Uiso 1 1 calc R . .
C103 C 0.1668(9) 0.3006(8) 0.2215(4) 0.076(3) Uani 1 1 d U . .
H103 H 0.2015 0.2868 0.2446 0.091 Uiso 1 1 calc R B .
C104 C 0.1737(10) 0.3571(8) 0.2098(4) 0.082(3) Uani 1 1 d U B .
H104 H 0.2127 0.3828 0.2255 0.098 Uiso 1 1 calc R . .
C105 C 0.1257(9) 0.3779(7) 0.1760(4) 0.078(3) Uani 1 1 d U . .
H105 H 0.1299 0.4175 0.1682 0.093 Uiso 1 1 calc R B .
C106 C 0.0708(9) 0.3388(6) 0.1536(4) 0.065(3) Uani 1 1 d U B .
H106 H 0.0379 0.3525 0.1299 0.078 Uiso 1 1 calc R . .
C110 C -0.4859(6) 0.2537(4) 0.0712(3) 0.027(2) Uani 1 1 d U B .
H11A H -0.5160 0.2648 0.0941 0.033 Uiso 1 1 calc R . .
H11B H -0.4761 0.2898 0.0565 0.033 Uiso 1 1 calc R . .
C111 C -0.5459(7) 0.2146(5) 0.0453(3) 0.037(2) Uani 1 1 d U . .
C112 C -0.5267(8) 0.1968(5) 0.0088(3) 0.044(2) Uani 1 1 d U B .
H112 H -0.4732 0.2092 -0.0004 0.053 Uiso 1 1 calc R . .
C113 C -0.5850(8) 0.1608(5) -0.0144(4) 0.054(3) Uani 1 1 d U . .
H113 H -0.5710 0.1487 -0.0394 0.065 Uiso 1 1 calc R B .
C114 C -0.6631(8) 0.1424(6) -0.0017(4) 0.059(3) Uani 1 1 d U B .
H114 H -0.7034 0.1186 -0.0182 0.070 Uiso 1 1 calc R . .
C115 C -0.6824(8) 0.1587(5) 0.0350(4) 0.054(3) Uani 1 1 d U . .
H115 H -0.7350 0.1450 0.0445 0.065 Uiso 1 1 calc R B .
C116 C -0.6245(7) 0.1951(5) 0.0580(4) 0.045(2) Uani 1 1 d U B .
H116 H -0.6387 0.2071 0.0830 0.054 Uiso 1 1 calc R . .
C120 C -0.3223(8) 0.2547(5) 0.2500(3) 0.042(3) Uani 1 1 d U . .
C121 C -0.3071(9) 0.2328(5) 0.2884(3) 0.046(2) Uani 1 1 d U B .
H121 H -0.2575 0.2086 0.2966 0.055 Uiso 1 1 calc R . .
C122 C -0.3678(9) 0.2480(5) 0.3139(3) 0.052(3) Uani 1 1 d U . .
H122 H -0.3603 0.2332 0.3400 0.063 Uiso 1 1 calc R B .
C123 C -0.4391(9) 0.2844(5) 0.3017(3) 0.056(3) Uani 1 1 d U B .
H123 H -0.4801 0.2959 0.3191 0.067 Uiso 1 1 calc R . .
C124 C -0.4476(9) 0.3031(5) 0.2635(3) 0.051(3) Uani 1 1 d U . .
N130 N -0.233(3) 0.3693(11) 0.2367(15) 0.19(4) Uiso 0.30 1 d PG B 1
C130 C -0.270(3) 0.3908(15) 0.2004(12) 0.083(7) Uiso 0.30 1 d PGDU B 1
C131 C -0.307(3) 0.4465(16) 0.1977(8) 0.077(6) Uiso 0.30 1 d PGU B 1
H131 H -0.3324 0.4611 0.1729 0.092 Uiso 0.30 1 calc PR B 1
C132 C -0.306(2) 0.4808(11) 0.2312(9) 0.076(6) Uiso 0.30 1 d PGU B 1
H132 H -0.3304 0.5189 0.2293 0.091 Uiso 0.30 1 calc PR B 1
C133 C -0.268(2) 0.4594(14) 0.2674(7) 0.066(6) Uiso 0.30 1 d PGU B 1
H133 H -0.2672 0.4829 0.2903 0.079 Uiso 0.30 1 calc PR B 1
C134 C -0.232(3) 0.4037(16) 0.2702(11) 0.061(7) Uiso 0.30 1 d PGU B 1
Cl13 Cl -0.1659(11) 0.3873(7) 0.3152(4) 0.083(4) Uiso 0.30 1 d PU . 1
N510 N -0.2441(18) 0.3756(8) 0.2417(9) 0.013(8) Uiso 0.30 1 d PG B 2
C510 C -0.282(2) 0.3882(12) 0.2035(8) 0.081(7) Uiso 0.30 1 d PGDU B 2
C511 C -0.334(3) 0.4376(14) 0.1960(7) 0.079(6) Uiso 0.30 1 d PGU B 2
H511 H -0.3597 0.4462 0.1699 0.094 Uiso 0.30 1 calc PR B 2
C512 C -0.349(2) 0.4746(11) 0.2267(9) 0.078(7) Uiso 0.30 1 d PGU B 2
H512 H -0.3846 0.5084 0.2216 0.093 Uiso 0.30 1 calc PR B 2
C513 C -0.311(2) 0.4620(12) 0.2649(8) 0.072(6) Uiso 0.30 1 d PGU B 2
H513 H -0.3214 0.4873 0.2859 0.087 Uiso 0.30 1 calc PR B 2
C514 C -0.259(2) 0.4126(13) 0.2724(7) 0.063(6) Uiso 0.30 1 d PGU B 2
Cl51 Cl -0.2095(14) 0.4032(9) 0.3135(6) 0.119(6) Uiso 0.30 1 d PU B 2
N520 N -0.2208(14) 0.3695(8) 0.2546(6) 0.008(5) Uiso 0.40 1 d P B 3
C520 C -0.261(3) 0.3979(17) 0.2711(11) 0.062(5) Uiso 0.40 1 d PU B 3
C521 C -0.309(2) 0.4387(13) 0.2973(9) 0.049(6) Uiso 0.40 1 d PU B 3
H52A H -0.3301 0.4161 0.3186 0.074 Uiso 0.40 1 calc PR B 3
H52B H -0.3603 0.4568 0.2814 0.074 Uiso 0.40 1 calc PR B 3
H52C H -0.2682 0.4691 0.3085 0.074 Uiso 0.40 1 calc PR B 3
Cl14 Cl 0.0613(4) -0.0604(2) 0.15368(16) 0.0739(17) Uani 0.65 1 d PU . 1
N140 N -0.0190(9) 0.0321(6) 0.1766(4) 0.036(3) Uani 0.65 1 d P B 1
C140 C -0.0571(16) 0.0681(11) 0.2027(7) 0.049(4) Uani 0.65 1 d PU B 1
C141 C -0.0526(13) 0.0527(8) 0.2417(6) 0.054(3) Uani 0.65 1 d PU B 1
H141 H -0.0760 0.0773 0.2602 0.065 Uiso 0.65 1 calc PR B 1
C142 C -0.0113(14) -0.0017(9) 0.2534(7) 0.058(3) Uani 0.65 1 d PU B 1
H142 H -0.0077 -0.0134 0.2801 0.069 Uiso 0.65 1 calc PR B 1
C143 C 0.0240(14) -0.0381(10) 0.2264(6) 0.057(3) Uani 0.65 1 d PU B 1
H143 H 0.0522 -0.0738 0.2346 0.069 Uiso 0.65 1 calc PR B 1
C144 C 0.0169(13) -0.0213(8) 0.1888(6) 0.054(4) Uani 0.65 1 d PU B 1
Cl50 Cl -0.0485(7) -0.0814(5) 0.2178(3) 0.078(3) Uiso 0.35 1 d PU B 2
N500 N -0.0633(18) 0.0314(14) 0.2049(8) 0.042(7) Uiso 0.35 1 d P B 2
C500 C -0.046(3) 0.0872(19) 0.2096(14) 0.049(5) Uiso 0.35 1 d PU B 2
C501 C 0.034(2) 0.1032(15) 0.2352(9) 0.045(6) Uiso 0.35 1 d PU B 2
H501 H 0.0509 0.1429 0.2389 0.054 Uiso 0.35 1 calc PR B 2
C502 C 0.086(2) 0.0586(15) 0.2539(10) 0.052(6) Uiso 0.35 1 d PU B 2
H502 H 0.1408 0.0674 0.2690 0.063 Uiso 0.35 1 calc PR B 2
C503 C 0.057(3) 0.0031(16) 0.2505(11) 0.056(4) Uiso 0.35 1 d PU B 2
H503 H 0.0875 -0.0257 0.2670 0.067 Uiso 0.35 1 calc PR B 2
C504 C -0.015(3) -0.0136(18) 0.2241(13) 0.056(4) Uiso 0.35 1 d PU B 2
C150 C -0.5223(8) 0.1898(5) 0.1683(3) 0.041(3) Uani 1 1 d U . .
C151 C -0.5971(7) 0.2245(6) 0.1706(3) 0.050(3) Uani 1 1 d U B .
H151 H -0.5916 0.2651 0.1761 0.059 Uiso 1 1 calc R . .
C152 C -0.6784(8) 0.1984(6) 0.1647(4) 0.062(3) Uani 1 1 d U . .
H152 H -0.7301 0.2211 0.1669 0.074 Uiso 1 1 calc R B .
C153 C -0.6879(9) 0.1388(6) 0.1555(4) 0.064(3) Uani 1 1 d U B .
H153 H -0.7443 0.1202 0.1517 0.077 Uiso 1 1 calc R . .
C154 C -0.6098(9) 0.1090(6) 0.1523(4) 0.060(3) Uani 1 1 d U . .
C160 C -0.1930(9) 0.3722(6) -0.0239(4) 0.054(3) Uani 1 1 d U . .
C161 C -0.1796(10) 0.4093(6) -0.0593(4) 0.067(3) Uani 1 1 d U . .
C162 C -0.1371(11) 0.3750(7) -0.0874(4) 0.087(4) Uani 1 1 d U . .
H16A H -0.1297 0.3990 -0.1105 0.131 Uiso 1 1 calc R . .
H16B H -0.1743 0.3411 -0.0957 0.131 Uiso 1 1 calc R . .
H16C H -0.0787 0.3617 -0.0752 0.131 Uiso 1 1 calc R . .
C163 C -0.1195(12) 0.4632(7) -0.0465(5) 0.100(5) Uani 1 1 d U . .
H16D H -0.1482 0.4872 -0.0281 0.150 Uiso 1 1 calc R . .
H16E H -0.1108 0.4864 -0.0698 0.150 Uiso 1 1 calc R . .
H16F H -0.0617 0.4497 -0.0337 0.150 Uiso 1 1 calc R . .
C164 C -0.2654(11) 0.4364(8) -0.0751(5) 0.104(5) Uani 1 1 d U . .
H16G H -0.2893 0.4582 -0.0541 0.156 Uiso 1 1 calc R . .
H16H H -0.3076 0.4059 -0.0851 0.156 Uiso 1 1 calc R . .
H16I H -0.2559 0.4631 -0.0965 0.156 Uiso 1 1 calc R . .
C170 C -0.1540(8) 0.4449(5) 0.1053(4) 0.045(3) Uani 1 1 d U . .
C171 C -0.1326(9) 0.5097(5) 0.1115(4) 0.058(3) Uani 1 1 d U B .
C172 C -0.0377(9) 0.5153(6) 0.1326(4) 0.080(4) Uani 1 1 d U . .
H17A H -0.0345 0.4974 0.1587 0.120 Uiso 1 1 calc R B .
H17B H -0.0217 0.5566 0.1354 0.120 Uiso 1 1 calc R . .
H17C H 0.0037 0.4955 0.1173 0.120 Uiso 1 1 calc R . .
C173 C -0.1387(12) 0.5383(6) 0.0726(5) 0.091(4) Uani 1 1 d U . .
H17D H -0.1236 0.5797 0.0760 0.137 Uiso 1 1 calc R B .
H17E H -0.1994 0.5345 0.0592 0.137 Uiso 1 1 calc R . .
H17F H -0.0971 0.5196 0.0567 0.137 Uiso 1 1 calc R . .
C174 C -0.1953(11) 0.5388(6) 0.1364(6) 0.103(5) Uani 1 1 d U . .
H17G H -0.1907 0.5198 0.1622 0.154 Uiso 1 1 calc R B .
H17H H -0.2564 0.5354 0.1233 0.154 Uiso 1 1 calc R . .
H17I H -0.1795 0.5801 0.1398 0.154 Uiso 1 1 calc R . .
C180 C -0.2761(8) 0.1726(6) -0.0299(3) 0.046(3) Uani 1 1 d U . .
C181 C -0.2843(8) 0.1430(6) -0.0712(4) 0.058(3) Uani 1 1 d U . .
C182 C -0.2321(9) 0.0864(6) -0.0694(4) 0.070(4) Uani 1 1 d U . .
H18A H -0.1687 0.0947 -0.0625 0.105 Uiso 1 1 calc R . .
H18B H -0.2416 0.0669 -0.0950 0.105 Uiso 1 1 calc R . .
H18C H -0.2524 0.0608 -0.0494 0.105 Uiso 1 1 calc R . .
C183 C -0.3820(9) 0.1299(7) -0.0832(4) 0.074(4) Uani 1 1 d U . .
H18D H -0.4026 0.1019 -0.0647 0.111 Uiso 1 1 calc R . .
H18E H -0.3901 0.1133 -0.1098 0.111 Uiso 1 1 calc R . .
H18F H -0.4164 0.1660 -0.0829 0.111 Uiso 1 1 calc R . .
C184 C -0.2478(11) 0.1866(7) -0.0998(4) 0.082(4) Uani 1 1 d U . .
H18G H -0.1848 0.1942 -0.0911 0.124 Uiso 1 1 calc R . .
H18H H -0.2812 0.2233 -0.1000 0.124 Uiso 1 1 calc R . .
H18I H -0.2542 0.1700 -0.1264 0.124 Uiso 1 1 calc R . .
C190 C -0.0467(7) 0.0990(5) 0.0763(4) 0.038(3) Uani 1 1 d U . .
C191 C 0.0395(8) 0.0708(5) 0.0646(4) 0.054(3) Uani 1 1 d U . .
C192 C 0.0186(9) 0.0073(6) 0.0564(5) 0.078(4) Uani 1 1 d U . .
H19A H 0.0021 -0.0112 0.0802 0.117 Uiso 1 1 calc R . .
H19B H 0.0711 -0.0122 0.0485 0.117 Uiso 1 1 calc R . .
H19C H -0.0309 0.0041 0.0352 0.117 Uiso 1 1 calc R . .
C193 C 0.1136(8) 0.0804(6) 0.0970(4) 0.071(4) Uani 1 1 d U . .
H19D H 0.0981 0.0628 0.1213 0.107 Uiso 1 1 calc R . .
H19E H 0.1231 0.1224 0.1010 0.107 Uiso 1 1 calc R . .
H19F H 0.1680 0.0624 0.0900 0.107 Uiso 1 1 calc R . .
C194 C 0.0631(8) 0.0985(6) 0.0274(4) 0.066(3) Uani 1 1 d U . .
H19G H 0.0147 0.0922 0.0061 0.099 Uiso 1 1 calc R . .
H19H H 0.1178 0.0808 0.0203 0.099 Uiso 1 1 calc R . .
H19I H 0.0723 0.1404 0.0316 0.099 Uiso 1 1 calc R . .
C200 C -0.2943(7) 0.0129(3) 0.1446(3) 0.041(3) Uani 1 1 d DU . .
C201 C -0.3040(6) -0.0532(3) 0.1408(2) 0.050(3) Uani 1 1 d DU B .
C202 C -0.3967(8) -0.0711(7) 0.1497(6) 0.047(5) Uani 0.50 1 d PDU B 1
H20A H -0.4031 -0.1135 0.1474 0.070 Uiso 0.50 1 calc PR B 1
H20B H -0.4418 -0.0522 0.1309 0.070 Uiso 0.50 1 calc PR B 1
H20C H -0.4046 -0.0591 0.1765 0.070 Uiso 0.50 1 calc PR B 1
C203 C -0.2336(10) -0.0831(6) 0.1698(5) 0.050(5) Uani 0.50 1 d PDU B 1
H20D H -0.2401 -0.1255 0.1674 0.076 Uiso 0.50 1 calc PR B 1
H20E H -0.2411 -0.0713 0.1967 0.076 Uiso 0.50 1 calc PR B 1
H20F H -0.1743 -0.0717 0.1640 0.076 Uiso 0.50 1 calc PR B 1
C204 C -0.2919(14) -0.0714(7) 0.0989(4) 0.060(6) Uani 0.50 1 d PDU B 1
H20G H -0.2980 -0.1139 0.0964 0.090 Uiso 0.50 1 calc PR B 1
H20H H -0.2326 -0.0597 0.0932 0.090 Uiso 0.50 1 calc PR B 1
H20I H -0.3372 -0.0524 0.0803 0.090 Uiso 0.50 1 calc PR B 1
C205 C -0.4001(9) -0.0687(7) 0.1254(7) 0.074(6) Uani 0.50 1 d PDU B 2
H20J H -0.4061 -0.1111 0.1231 0.111 Uiso 0.50 1 calc PR B 2
H20K H -0.4161 -0.0508 0.0995 0.111 Uiso 0.50 1 calc PR B 2
H20L H -0.4397 -0.0540 0.1437 0.111 Uiso 0.50 1 calc PR B 2
C206 C -0.2787(15) -0.0819(7) 0.1808(4) 0.065(6) Uani 0.50 1 d PDU B 2
H20M H -0.2851 -0.1243 0.1782 0.098 Uiso 0.50 1 calc PR B 2
H20N H -0.3178 -0.0675 0.1994 0.098 Uiso 0.50 1 calc PR B 2
H20O H -0.2169 -0.0723 0.1906 0.098 Uiso 0.50 1 calc PR B 2
C207 C -0.2426(14) -0.0757(7) 0.1119(6) 0.070(6) Uani 0.50 1 d PDU B 2
H20P H -0.2485 -0.1181 0.1094 0.105 Uiso 0.50 1 calc PR B 2
H20Q H -0.1809 -0.0657 0.1216 0.105 Uiso 0.50 1 calc PR B 2
H20R H -0.2591 -0.0575 0.0861 0.105 Uiso 0.50 1 calc PR B 2
C210 C -0.0631(9) 0.2412(6) 0.2744(3) 0.055(3) Uani 1 1 d U . .
C211 C -0.0032(9) 0.2384(5) 0.3130(4) 0.070(3) Uani 1 1 d DU B .
C212 C 0.0596(9) 0.2902(6) 0.3176(4) 0.072(4) Uani 1 1 d DU . .
H21A H 0.0980 0.2873 0.3427 0.108 Uiso 1 1 calc R B .
H21B H 0.0251 0.3264 0.3170 0.108 Uiso 1 1 calc R . .
H21C H 0.0963 0.2904 0.2959 0.108 Uiso 1 1 calc R . .
C213 C -0.0676(17) 0.2590(14) 0.3418(7) 0.074(6) Uani 0.45 1 d PDU B 1
H21D H -0.0911 0.2975 0.3338 0.111 Uiso 0.45 1 calc PR B 1
H21E H -0.0356 0.2612 0.3685 0.111 Uiso 0.45 1 calc PR B 1
H21F H -0.1168 0.2311 0.3414 0.111 Uiso 0.45 1 calc PR B 1
C214 C 0.020(3) 0.1779(9) 0.3287(10) 0.084(6) Uani 0.45 1 d PDU B 1
H21G H -0.0308 0.1520 0.3226 0.127 Uiso 0.45 1 calc PR B 1
H21H H 0.0365 0.1798 0.3573 0.127 Uiso 0.45 1 calc PR B 1
H21I H 0.0708 0.1628 0.3165 0.127 Uiso 0.45 1 calc PR B 1
C215 C -0.0504(18) 0.2122(14) 0.3455(6) 0.082(6) Uani 0.55 1 d PDU B 2
H21J H -0.0096 0.2110 0.3700 0.124 Uiso 0.55 1 calc PR B 2
H21K H -0.0699 0.1725 0.3381 0.124 Uiso 0.55 1 calc PR B 2
H21L H -0.1022 0.2361 0.3493 0.124 Uiso 0.55 1 calc PR B 2
C216 C 0.0650(15) 0.1901(10) 0.3075(8) 0.082(6) Uani 0.55 1 d PDU B 2
H21M H 0.1062 0.1858 0.3318 0.123 Uiso 0.55 1 calc PR B 2
H21N H 0.0984 0.2006 0.2858 0.123 Uiso 0.55 1 calc PR B 2
H21O H 0.0338 0.1531 0.3015 0.123 Uiso 0.55 1 calc PR B 2
C220 C -0.3095(7) 0.0908(4) 0.2431(3) 0.037(2) Uani 1 1 d DU . .
C221 C -0.3254(6) 0.0493(3) 0.2767(2) 0.049(3) Uani 1 1 d DU B .
C222 C -0.4075(11) 0.0122(8) 0.2647(5) 0.049(6) Uiso 0.45 1 d PDU B 1
H22A H -0.3983 -0.0116 0.2418 0.073 Uiso 0.45 1 calc PR B 1
H22B H -0.4591 0.0377 0.2580 0.073 Uiso 0.45 1 calc PR B 1
H22C H -0.4182 -0.0133 0.2866 0.073 Uiso 0.45 1 calc PR B 1
C223 C -0.3338(15) 0.0834(7) 0.3139(4) 0.051(6) Uiso 0.45 1 d PDU B 1
H22D H -0.2815 0.1084 0.3201 0.076 Uiso 0.45 1 calc PR B 1
H22E H -0.3380 0.0562 0.3357 0.076 Uiso 0.45 1 calc PR B 1
H22F H -0.3875 0.1076 0.3100 0.076 Uiso 0.45 1 calc PR B 1
C224 C -0.2434(11) 0.0089(8) 0.2843(6) 0.067(7) Uiso 0.45 1 d PDU B 1
H22G H -0.2352 -0.0118 0.2600 0.101 Uiso 0.45 1 calc PR B 1
H22H H -0.2524 -0.0193 0.3048 0.101 Uiso 0.45 1 calc PR B 1
H22I H -0.1904 0.0324 0.2927 0.101 Uiso 0.45 1 calc PR B 1
C225 C -0.3823(13) 0.0821(7) 0.3037(5) 0.076(7) Uiso 0.55 1 d PDU B 2
H22J H -0.3515 0.1178 0.3135 0.115 Uiso 0.55 1 calc PR B 2
H22K H -0.3921 0.0572 0.3260 0.115 Uiso 0.55 1 calc PR B 2
H22L H -0.4398 0.0923 0.2889 0.115 Uiso 0.55 1 calc PR B 2
C226 C -0.2371(9) 0.0325(8) 0.3001(5) 0.077(7) Uiso 0.55 1 d PDU B 2
H22M H -0.2076 0.0676 0.3117 0.116 Uiso 0.55 1 calc PR B 2
H22N H -0.1991 0.0139 0.2826 0.116 Uiso 0.55 1 calc PR B 2
H22O H -0.2477 0.0053 0.3211 0.116 Uiso 0.55 1 calc PR B 2
C227 C -0.3745(11) -0.0049(5) 0.2604(4) 0.042(5) Uiso 0.55 1 d PDU B 2
H22P H -0.4298 0.0065 0.2443 0.063 Uiso 0.55 1 calc PR B 2
H22Q H -0.3885 -0.0296 0.2822 0.063 Uiso 0.55 1 calc PR B 2
H22R H -0.3370 -0.0267 0.2441 0.063 Uiso 0.55 1 calc PR B 2
C230 C -0.4623(7) 0.3755(5) 0.1278(3) 0.036(2) Uani 1 1 d U . .
C231 C -0.5403(7) 0.4160(5) 0.1161(3) 0.043(2) Uani 1 1 d U B .
C232 C -0.5596(8) 0.4190(6) 0.0715(3) 0.056(3) Uani 1 1 d U . .
H23A H -0.5060 0.4317 0.0606 0.084 Uiso 1 1 calc R B .
H23B H -0.6077 0.4470 0.0641 0.084 Uiso 1 1 calc R . .
H23C H -0.5775 0.3804 0.0612 0.084 Uiso 1 1 calc R . .
C233 C -0.5106(9) 0.4762(5) 0.1316(4) 0.067(4) Uani 1 1 d U . .
H23D H -0.4574 0.4881 0.1200 0.100 Uiso 1 1 calc R B .
H23E H -0.4969 0.4747 0.1603 0.100 Uiso 1 1 calc R . .
H23F H -0.5583 0.5045 0.1244 0.100 Uiso 1 1 calc R . .
C234 C -0.6212(8) 0.3972(6) 0.1340(4) 0.055(3) Uani 1 1 d U . .
H23G H -0.6700 0.4245 0.1263 0.083 Uiso 1 1 calc R B .
H23H H -0.6077 0.3967 0.1627 0.083 Uiso 1 1 calc R . .
H23I H -0.6388 0.3580 0.1246 0.083 Uiso 1 1 calc R . .
C240 C 0.0545(9) 0.3434(6) 0.0403(5) 0.073(4) Uani 1 1 d U . .
C241 C 0.1460(9) 0.3258(7) 0.0379(5) 0.077(3) Uani 1 1 d U A .
C242 C 0.1761(10) 0.2830(8) 0.0709(5) 0.097(5) Uani 1 1 d U . .
H24A H 0.2372 0.2706 0.0689 0.145 Uiso 1 1 calc R A .
H24B H 0.1368 0.2489 0.0687 0.145 Uiso 1 1 calc R . .
H24C H 0.1735 0.3020 0.0964 0.145 Uiso 1 1 calc R . .
C243 C 0.2038(11) 0.3791(8) 0.0405(6) 0.113(5) Uani 1 1 d U . .
H24D H 0.2654 0.3677 0.0388 0.169 Uiso 1 1 calc R A .
H24E H 0.2003 0.3988 0.0656 0.169 Uiso 1 1 calc R . .
H24F H 0.1833 0.4056 0.0188 0.169 Uiso 1 1 calc R . .
C244 C 0.1551(13) 0.2926(9) 0.0007(6) 0.123(6) Uani 1 1 d U . .
H24G H 0.2174 0.2813 0.0004 0.185 Uiso 1 1 calc R A .
H24H H 0.1360 0.3174 -0.0221 0.185 Uiso 1 1 calc R . .
H24I H 0.1179 0.2576 -0.0003 0.185 Uiso 1 1 calc R . .
C250 C -0.4548(8) 0.3180(6) -0.0408(4) 0.054(3) Uani 1 1 d U . .
C251 C -0.5324(8) 0.3583(6) -0.0547(4) 0.063(3) Uani 1 1 d U . .
C252 C -0.5128(9) 0.4198(6) -0.0367(4) 0.074(4) Uani 1 1 d U . .
H25A H -0.5626 0.4460 -0.0453 0.111 Uiso 1 1 calc R . .
H25B H -0.4583 0.4353 -0.0454 0.111 Uiso 1 1 calc R . .
H25C H -0.5051 0.4170 -0.0079 0.111 Uiso 1 1 calc R . .
C253 C -0.6117(9) 0.3340(7) -0.0382(5) 0.084(4) Uani 1 1 d U . .
H25D H -0.6637 0.3585 -0.0464 0.127 Uiso 1 1 calc R . .
H25E H -0.6001 0.3335 -0.0094 0.127 Uiso 1 1 calc R . .
H25F H -0.6232 0.2942 -0.0479 0.127 Uiso 1 1 calc R . .
C254 C -0.5454(10) 0.3640(7) -0.0996(4) 0.083(4) Uani 1 1 d U . .
H25G H -0.5962 0.3897 -0.1077 0.125 Uiso 1 1 calc R . .
H25H H -0.5568 0.3254 -0.1115 0.125 Uiso 1 1 calc R . .
H25I H -0.4917 0.3806 -0.1084 0.125 Uiso 1 1 calc R . .
N1S N -0.6131(10) -0.0025(6) 0.0190(4) 0.075(5) Uani 0.80 1 d P C 1
C1S C -0.5577(10) 0.0250(7) 0.0359(5) 0.046(3) Uani 0.80 1 d PU C 1
C2S C -0.4856(10) 0.0593(6) 0.0559(5) 0.047(4) Uani 0.80 1 d PU C 1
H2S1 H -0.4574 0.0378 0.0788 0.070 Uiso 0.80 1 calc PR C 1
H2S2 H -0.5090 0.0964 0.0645 0.070 Uiso 0.80 1 calc PR C 1
H2S3 H -0.4416 0.0670 0.0379 0.070 Uiso 0.80 1 calc PR C 1
N3S N -0.385(3) 0.020(2) 0.0254(16) 0.070(16) Uiso 0.20 1 d PD D 2
C6S C -0.446(3) 0.028(2) 0.0395(16) 0.045(6) Uiso 0.20 1 d PDU D 2
C5S C -0.521(4) 0.047(3) 0.063(2) 0.044(8) Uiso 0.20 1 d PDU D 2
H5S1 H -0.5104 0.0308 0.0898 0.066 Uiso 0.20 1 calc PR D 2
H5S2 H -0.5782 0.0333 0.0501 0.066 Uiso 0.20 1 calc PR D 2
H5S3 H -0.5223 0.0900 0.0649 0.066 Uiso 0.20 1 calc PR D 2
N2S N -0.0533(10) 0.2280(8) -0.0334(5) 0.081(5) Uani 0.80 1 d P . .
C3S C -0.0070(15) 0.2001(9) -0.0479(6) 0.078(5) Uani 0.80 1 d PU . .
C4S C 0.0600(15) 0.1640(9) -0.0659(6) 0.096(6) Uani 0.80 1 d PU . .
H4S1 H 0.1145 0.1868 -0.0667 0.144 Uiso 0.80 1 calc PR . .
H4S2 H 0.0356 0.1529 -0.0927 0.144 Uiso 0.80 1 calc PR . .
H4S3 H 0.0736 0.1288 -0.0501 0.144 Uiso 0.80 1 calc PR . .
O1S O -0.2229(6) 0.0298(3) 0.0271(2) 0.059(2) Uani 1 1 d . . .
N4S N -0.746(3) 0.157(3) 0.269(2) 0.09(2) Uiso 0.20 1 d PD E 1
C7S C -0.674(3) 0.147(2) 0.2688(17) 0.043(10) Uiso 0.20 1 d PDU E 1
C8S C -0.574(3) 0.155(2) 0.2640(16) 0.030(10) Uiso 0.20 1 d PDU E 1
H8S1 H -0.5587 0.1296 0.2429 0.045 Uiso 0.20 1 calc PR E 1
H8S2 H -0.5375 0.1444 0.2887 0.045 Uiso 0.20 1 calc PR E 1
H8S3 H -0.5623 0.1957 0.2576 0.045 Uiso 0.20 1 calc PR E 1
N1T N -0.680(4) 0.189(4) 0.276(2) 0.13(3) Uiso 0.20 1 d PD F 2
C1T C -0.613(3) 0.171(2) 0.2717(14) 0.047(10) Uiso 0.20 1 d PDU F 2
C2T C -0.536(3) 0.140(2) 0.2543(14) 0.026(10) Uiso 0.20 1 d PDU F 2
H2T1 H -0.5528 0.1003 0.2470 0.039 Uiso 0.20 1 calc PR F 2
H2T2 H -0.4830 0.1400 0.2740 0.039 Uiso 0.20 1 calc PR F 2
H2T3 H -0.5224 0.1617 0.2310 0.039 Uiso 0.20 1 calc PR F 2
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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_3
O170 Ni1 O1 176.4(3) .
O170 Ni1 O160 85.2(3) .
O1 Ni1 O160 91.2(3) .
O170 Ni1 O2 95.2(3) .
O1 Ni1 O2 84.5(2) .
O160 Ni1 O2 92.5(3) .
O170 Ni1 O240 90.9(3) .
O1 Ni1 O240 89.3(2) .
O160 Ni1 O240 86.3(3) .
O2 Ni1 O240 173.6(3) .
O170 Ni1 O101 87.7(3) .
O1 Ni1 O101 95.8(2) .
O160 Ni1 O101 171.8(3) .
O2 Ni1 O101 83.8(2) .
O240 Ni1 O101 98.2(3) .
O170 Ni1 Ni2 133.9(2) .
O1 Ni1 Ni2 44.47(17) .
O160 Ni1 Ni2 78.8(2) .
O2 Ni1 Ni2 43.53(18) .
O240 Ni1 Ni2 130.14(19) .
O101 Ni1 Ni2 103.22(17) .
O2 Ni2 O161 92.4(3) .
O2 Ni2 O180 179.1(3) .
O161 Ni2 O180 86.7(3) .
O2 Ni2 O1 85.4(2) .
O161 Ni2 O1 95.5(3) .
O180 Ni2 O1 94.9(3) .
O2 Ni2 O111 91.8(3) .
O161 Ni2 O111 175.5(3) .
O180 Ni2 O111 89.1(3) .
O1 Ni2 O111 83.2(2) .
O2 Ni2 O250 92.3(3) .
O161 Ni2 O250 80.7(3) .
O180 Ni2 O250 87.3(3) .
O1 Ni2 O250 175.5(3) .
O111 Ni2 O250 100.8(3) .
O2 Ni2 Ni1 44.72(17) .
O161 Ni2 Ni1 81.4(2) .
O180 Ni2 Ni1 135.3(2) .
O1 Ni2 Ni1 44.24(18) .
O111 Ni2 Ni1 100.41(18) .
O250 Ni2 Ni1 132.2(2) .
O2 Ni2 Ni3 100.98(18) .
O161 Ni2 Ni3 133.1(2) .
O180 Ni2 Ni3 79.8(2) .
O1 Ni2 Ni3 42.30(17) .
O111 Ni2 Ni3 44.14(17) .
O250 Ni2 Ni3 142.2(2) .
Ni1 Ni2 Ni3 77.56(5) .
O190 Ni3 O1 99.5(3) .
O190 Ni3 O102 86.7(3) .
O1 Ni3 O102 97.1(3) .
O190 Ni3 O111 174.5(3) .
O1 Ni3 O111 83.6(2) .
O102 Ni3 O111 97.6(2) .
O190 Ni3 O181 84.2(3) .
O1 Ni3 O181 91.7(3) .
O102 Ni3 O181 168.3(3) .
O111 Ni3 O181 91.2(2) .
O190 Ni3 O4 90.4(3) .
O1 Ni3 O4 170.0(3) .
O102 Ni3 O4 81.7(2) .
O111 Ni3 O4 86.7(2) .
O181 Ni3 O4 91.1(3) .
O190 Ni3 Ni2 137.5(2) .
O1 Ni3 Ni2 43.16(17) .
O102 Ni3 Ni2 112.92(18) .
O111 Ni3 Ni2 43.68(17) .
O181 Ni3 Ni2 78.8(2) .
O4 Ni3 Ni2 128.28(18) .
O3 Ni4 O200 95.4(3) .
O3 Ni4 O191 168.9(3) .
O200 Ni4 O191 92.7(3) .
O3 Ni4 O102 82.1(3) .
O200 Ni4 O102 171.3(3) .
O191 Ni4 O102 91.0(3) .
O3 Ni4 O4 97.1(3) .
O200 Ni4 O4 90.4(3) .
O191 Ni4 O4 90.4(3) .
O102 Ni4 O4 81.7(2) .
O3 Ni4 O140 82.1(3) .
O200 Ni4 O140 89.8(3) .
O191 Ni4 O140 90.4(3) .
O102 Ni4 O140 98.1(3) .
O4 Ni4 O140 179.1(3) .
N130 Ni5 O210 101.2(16) .
N130 Ni5 O103 165.6(16) .
O210 Ni5 O103 93.2(3) .
N130 Ni5 O130 67.9(16) .
O210 Ni5 O130 169.1(3) .
O103 Ni5 O130 97.7(3) .
N130 Ni5 N520 16.4(19) .
O210 Ni5 N520 85.2(7) .
O103 Ni5 N520 175.2(5) .
O130 Ni5 N520 83.9(7) .
N130 Ni5 N510 2.7(19) .
O210 Ni5 N510 100.2(9) .
O103 Ni5 N510 166.1(9) .
O130 Ni5 N510 68.9(9) .
N520 Ni5 N510 15.1(7) .
N130 Ni5 O260 86.2(14) .
O210 Ni5 O260 91.8(3) .
O103 Ni5 O260 94.4(3) .
O130 Ni5 O260 86.9(3) .
N520 Ni5 O260 90.2(5) .
N510 Ni5 O260 88.7(7) .
N130 Ni5 O120 97.2(14) .
O210 Ni5 O120 99.2(3) .
O103 Ni5 O120 79.4(3) .
O130 Ni5 O120 83.4(3) .
N520 Ni5 O120 96.3(5) .
N510 Ni5 O120 94.9(7) .
O260 Ni5 O120 167.6(3) .
N130 Ni5 C130 35.9(9) .
O210 Ni5 C130 134.4(7) .
O103 Ni5 C130 130.6(8) .
O130 Ni5 C130 34.9(7) .
N520 Ni5 C130 52.2(11) .
N510 Ni5 C130 37.7(14) .
O260 Ni5 C130 75.1(11) .
O120 Ni5 C130 100.8(11) .
N130 Ni5 C510 33.5(19) .
O210 Ni5 C510 133.9(6) .
O103 Ni5 C510 132.4(6) .
O130 Ni5 C510 35.2(5) .
N520 Ni5 C510 49.9(6) .
N510 Ni5 C510 35.0(5) .
O260 Ni5 C510 80.0(9) .
O120 Ni5 C510 96.2(9) .
C130 Ni5 C510 5.2(18) .
O3 Ni6 O211 174.3(3) .
O3 Ni6 O220 93.7(3) .
O211 Ni6 O220 87.9(3) .
O3 Ni6 O120 89.7(3) .
O211 Ni6 O120 95.5(3) .
O220 Ni6 O120 98.4(3) .
O3 Ni6 O140 82.3(3) .
O211 Ni6 O140 92.1(3) .
O220 Ni6 O140 94.9(3) .
O120 Ni6 O140 165.0(3) .
O3 Ni6 O103 86.9(3) .
O211 Ni6 O103 91.9(3) .
O220 Ni6 O103 176.2(3) .
O120 Ni6 O103 77.9(2) .
O140 Ni6 O103 88.9(3) .
O3 Ni7 O201 98.2(3) .
O3 Ni7 O221 94.2(3) .
O201 Ni7 O221 90.9(3) .
O3 Ni7 O112 83.9(3) .
O201 Ni7 O112 92.1(3) .
O221 Ni7 O112 176.6(3) .
O3 Ni7 O150 94.7(3) .
O201 Ni7 O150 166.6(3) .
O221 Ni7 O150 91.6(3) .
O112 Ni7 O150 85.8(3) .
O3 Ni7 N150 155.9(3) .
O201 Ni7 N150 105.3(3) .
O221 Ni7 N150 90.6(3) .
O112 Ni7 N150 90.0(3) .
O150 Ni7 N150 61.5(3) .
O230 Ni8 O150 101.7(3) .
O230 Ni8 O130 94.3(3) .
O150 Ni8 O130 161.7(3) .
O230 Ni8 O113 93.8(3) .
O150 Ni8 O113 88.1(3) .
O130 Ni8 O113 82.0(3) .
O230 Ni8 N120 100.8(3) .
O150 Ni8 N120 87.8(3) .
O130 Ni8 N120 97.9(3) .
O113 Ni8 N120 165.3(3) .
O230 Ni8 O120 158.5(3) .
O150 Ni8 O120 88.7(3) .
O130 Ni8 O120 79.2(3) .
O113 Ni8 O120 105.3(2) .
N120 Ni8 O120 60.5(3) .
O231 Ni9 O2 90.4(3) .
O231 Ni9 O130 88.7(3) .
O2 Ni9 O130 178.7(3) .
O231 Ni9 O171 88.9(3) .
O2 Ni9 O171 91.6(3) .
O130 Ni9 O171 87.3(3) .
O231 Ni9 O113 90.9(3) .
O2 Ni9 O113 99.8(2) .
O130 Ni9 O113 81.3(2) .
O171 Ni9 O113 168.6(3) .
O231 Ni9 O101 173.1(3) .
O2 Ni9 O101 84.4(2) .
O130 Ni9 O101 96.3(3) .
O171 Ni9 O101 86.7(2) .
O113 Ni9 O101 94.6(2) .
O102 P1 O103 112.0(4) .
O102 P1 O101 112.7(4) .
O103 P1 O101 110.0(4) .
O102 P1 C100 105.0(4) .
O103 P1 C100 107.1(4) .
O101 P1 C100 109.8(4) .
O111 P2 O112 109.1(4) .
O111 P2 O113 111.3(4) .
O112 P2 O113 112.4(4) .
O111 P2 C110 108.0(4) .
O112 P2 C110 108.2(4) .
O113 P2 C110 107.7(4) .
Ni3 O1 Ni1 131.7(3) .
Ni3 O1 Ni2 94.5(3) .
Ni1 O1 Ni2 91.3(2) .
Ni2 O2 Ni9 133.9(3) .
Ni2 O2 Ni1 91.7(2) .
Ni9 O2 Ni1 95.4(3) .
Ni7 O3 Ni6 127.1(3) .
Ni7 O3 Ni4 117.8(3) .
Ni6 O3 Ni4 100.8(3) .
Ni4 O4 Ni3 94.7(3) .
P1 O101 Ni1 128.6(4) .
P1 O101 Ni9 124.5(4) .
Ni1 O101 Ni9 91.0(2) .
P1 O102 Ni3 135.9(4) .
P1 O102 Ni4 127.4(4) .
Ni3 O102 Ni4 96.7(2) .
P1 O103 Ni5 131.3(4) .
P1 O103 Ni6 130.2(4) .
Ni5 O103 Ni6 94.2(3) .
P2 O111 Ni2 132.9(4) .
P2 O111 Ni3 125.2(4) .
Ni2 O111 Ni3 92.2(2) .
P2 O112 Ni7 129.0(4) .
P2 O113 Ni8 131.0(4) .
P2 O113 Ni9 126.8(4) .
Ni8 O113 Ni9 93.2(3) .
C120 O120 Ni6 134.6(7) .
C120 O120 Ni5 115.1(6) .
Ni6 O120 Ni5 94.2(3) .
C120 O120 Ni8 88.4(6) .
Ni6 O120 Ni8 125.3(3) .
Ni5 O120 Ni8 93.5(2) .
C130 O130 C510 9(3) .
C130 O130 Ni8 122(2) .
C510 O130 Ni8 113.4(16) .
C130 O130 Ni5 85(2) .
C510 O130 Ni5 86.8(15) .
Ni8 O130 Ni5 103.8(3) .
C130 O130 Ni9 127(2) .
C510 O130 Ni9 132.5(15) .
Ni8 O130 Ni9 95.9(3) .
Ni5 O130 Ni9 122.7(3) .
C500 O140 C140 22(2) .
C500 O140 Ni4 137(2) .
C140 O140 Ni4 115.3(10) .
C500 O140 Ni6 121(2) .
C140 O140 Ni6 131.0(11) .
Ni4 O140 Ni6 93.3(3) .
C150 O150 Ni8 136.5(7) .
C150 O150 Ni7 95.1(6) .
Ni8 O150 Ni7 124.3(3) .
C160 O160 Ni1 128.1(8) .
C160 O161 Ni2 127.5(8) .
C170 O170 Ni1 126.8(7) .
C170 O171 Ni9 130.2(7) .
C180 O180 Ni2 127.8(7) .
C180 O181 Ni3 127.4(7) .
C190 O190 Ni3 132.2(7) .
C190 O191 Ni4 125.9(7) .
C200 O200 Ni4 125.3(6) .
C200 O201 Ni7 132.3(6) .
C210 O210 Ni5 129.3(7) .
C210 O211 Ni6 131.2(8) .
C220 O220 Ni6 132.6(6) .
C220 O221 Ni7 133.5(6) .
C230 O230 Ni8 125.7(7) .
C230 O231 Ni9 131.0(7) .
C240 O240 Ni1 131.1(8) .
C250 O250 Ni2 125.5(7) .
C124 N120 C120 118.7(10) .
C124 N120 Ni8 145.2(9) .
C120 N120 Ni8 94.7(6) .
C154 N150 C150 119.0(11) .
C154 N150 Ni7 150.3(9) .
C150 N150 Ni7 90.6(7) .
C101 C100 P1 117.4(8) .
C101 C100 H10A 108.0 .
P1 C100 H10A 108.0 .
C101 C100 H10B 108.0 .
P1 C100 H10B 108.0 .
H10A C100 H10B 107.2 .
C102 C101 C106 116.5(12) .
C102 C101 C100 121.5(12) .
C106 C101 C100 122.0(11) .
C101 C102 C103 121.6(15) .
C101 C102 H102 119.2 .
C103 C102 H102 119.2 .
C104 C103 C102 119.3(15) .
C104 C103 H103 120.4 .
C102 C103 H103 120.4 .
C103 C104 C105 121.5(14) .
C103 C104 H104 119.2 .
C105 C104 H104 119.2 .
C104 C105 C106 117.5(16) .
C104 C105 H105 121.3 .
C106 C105 H105 121.3 .
C105 C106 C101 123.5(14) .
C105 C106 H106 118.3 .
C101 C106 H106 118.3 .
C111 C110 P2 114.5(7) .
C111 C110 H11A 108.6 .
P2 C110 H11A 108.6 .
C111 C110 H11B 108.6 .
P2 C110 H11B 108.6 .
H11A C110 H11B 107.6 .
C112 C111 C116 118.3(10) .
C112 C111 C110 122.3(10) .
C116 C111 C110 119.3(10) .
C111 C112 C113 120.2(11) .
C111 C112 H112 119.9 .
C113 C112 H112 119.9 .
C114 C113 C112 121.0(12) .
C114 C113 H113 119.5 .
C112 C113 H113 119.5 .
C113 C114 C115 119.6(12) .
C113 C114 H114 120.2 .
C115 C114 H114 120.2 .
C114 C115 C116 119.4(12) .
C114 C115 H115 120.3 .
C116 C115 H115 120.3 .
C115 C116 C111 121.5(11) .
C115 C116 H116 119.3 .
C111 C116 H116 119.3 .
O120 C120 N120 115.0(9) .
O120 C120 C121 123.0(11) .
N120 C120 C121 122.0(11) .
C122 C121 C120 117.3(12) .
C122 C121 H121 121.4 .
C120 C121 H121 121.4 .
C123 C122 C121 120.8(11) .
C123 C122 H122 119.6 .
C121 C122 H122 119.6 .
C124 C123 C122 116.9(12) .
C124 C123 H123 121.5 .
C122 C123 H123 121.5 .
N120 C124 C123 124.2(12) .
N120 C124 Cl12 116.0(9) .
C123 C124 Cl12 119.8(10) .
C130 N130 C134 120.0 .
C130 N130 Ni5 94(3) .
C134 N130 Ni5 143(3) .
O130 C130 N130 104(3) .
O130 C130 C131 135(3) .
N130 C130 C131 120.0 .
O130 C130 Ni5 59.7(16) .
N130 C130 Ni5 50.0(19) .
C131 C130 Ni5 164(2) .
C132 C131 C130 120.0 .
C132 C131 H131 120.0 .
C130 C131 H131 120.0 .
C133 C132 C131 120.0 .
C133 C132 H132 120.0 .
C131 C132 H132 120.0 .
C132 C133 C134 120.0 .
C132 C133 H133 120.0 .
C134 C133 H133 120.0 .
C133 C134 N130 120.0 .
C133 C134 Cl13 115(2) .
N130 C134 Cl13 123(2) .
C134 Cl13 Cl14 127.7(15) 2
C510 N510 C514 120.0 .
C510 N510 Ni5 85.1(17) .
C514 N510 Ni5 153.8(17) .
C511 C510 N510 120.0 .
C511 C510 O130 124(2) .
N510 C510 O130 115(2) .
C511 C510 Ni5 172.9(14) .
N510 C510 Ni5 59.9(13) .
O130 C510 Ni5 58.0(11) .
C510 C511 C512 120.0 .
C510 C511 H511 120.0 .
C512 C511 H511 120.0 .
C511 C512 C513 120.0 .
C511 C512 H512 120.0 .
C513 C512 H512 120.0 .
C514 C513 C512 120.0 .
C514 C513 H513 120.0 .
C512 C513 H513 120.0 .
C513 C514 N510 120.0 .
C513 C514 Cl51 119(2) .
N510 C514 Cl51 120(2) .
C520 N520 Ni5 166(3) .
N520 C520 C521 174(4) .
C144 Cl14 Cl13 105.9(8) 2_545
C144 N140 C140 120.6(17) .
O140 C140 C141 122(2) .
O140 C140 N140 118.2(19) .
C141 C140 N140 120(2) .
C140 C141 C142 118(2) .
C140 C141 H141 121.2 .
C142 C141 H141 121.2 .
C143 C142 C141 122(2) .
C143 C142 H142 119.1 .
C141 C142 H142 119.1 .
C144 C143 C142 118(2) .
C144 C143 H143 120.9 .
C142 C143 H143 120.9 .
C143 C144 N140 121.9(19) .
C143 C144 Cl14 122.5(16) .
N140 C144 Cl14 115.4(13) .
C500 N500 C504 126(3) .
O140 C500 N500 115(4) .
O140 C500 C501 128(4) .
N500 C500 C501 117(4) .
C502 C501 C500 118(3) .
C502 C501 H501 121.0 .
C500 C501 H501 121.0 .
C503 C502 C501 120(4) .
C503 C502 H502 120.0 .
C501 C502 H502 120.0 .
C502 C503 C504 123(4) .
C502 C503 H503 118.7 .
C504 C503 H503 118.7 .
C503 C504 N500 116(4) .
C503 C504 Cl50 124(3) .
N500 C504 Cl50 120(3) .
O150 C150 N150 112.6(10) .
O150 C150 C151 125.8(11) .
N150 C150 C151 121.6(11) .
C152 C151 C150 117.9(12) .
C152 C151 H151 121.0 .
C150 C151 H151 121.0 .
C151 C152 C153 121.7(13) .
C151 C152 H152 119.1 .
C153 C152 H152 119.1 .
C154 C153 C152 115.7(12) .
C154 C153 H153 122.1 .
C152 C153 H153 122.1 .
N150 C154 C153 124.0(13) .
N150 C154 Cl15 116.4(10) .
C153 C154 Cl15 119.6(10) .
O161 C160 O160 123.8(11) .
O161 C160 C161 118.3(13) .
O160 C160 C161 117.8(13) .
C162 C161 C164 115.1(14) .
C162 C161 C160 109.9(11) .
C164 C161 C160 109.3(11) .
C162 C161 C163 108.7(12) .
C164 C161 C163 103.0(13) .
C160 C161 C163 110.6(13) .
C161 C162 H16A 109.5 .
C161 C162 H16B 109.5 .
H16A C162 H16B 109.5 .
C161 C162 H16C 109.5 .
H16A C162 H16C 109.5 .
H16B C162 H16C 109.5 .
C161 C163 H16D 109.5 .
C161 C163 H16E 109.5 .
H16D C163 H16E 109.5 .
C161 C163 H16F 109.5 .
H16D C163 H16F 109.5 .
H16E C163 H16F 109.5 .
C161 C164 H16G 109.5 .
C161 C164 H16H 109.5 .
H16G C164 H16H 109.5 .
C161 C164 H16I 109.5 .
H16G C164 H16I 109.5 .
H16H C164 H16I 109.5 .
O171 C170 O170 124.3(10) .
O171 C170 C171 118.3(10) .
O170 C170 C171 117.3(10) .
C173 C171 C174 109.9(13) .
C173 C171 C170 108.4(11) .
C174 C171 C170 111.8(11) .
C173 C171 C172 109.8(12) .
C174 C171 C172 108.4(13) .
C170 C171 C172 108.5(11) .
C171 C172 H17A 109.5 .
C171 C172 H17B 109.5 .
H17A C172 H17B 109.5 .
C171 C172 H17C 109.5 .
H17A C172 H17C 109.5 .
H17B C172 H17C 109.5 .
C171 C173 H17D 109.5 .
C171 C173 H17E 109.5 .
H17D C173 H17E 109.5 .
C171 C173 H17F 109.5 .
H17D C173 H17F 109.5 .
H17E C173 H17F 109.5 .
C171 C174 H17G 109.5 .
C171 C174 H17H 109.5 .
H17G C174 H17H 109.5 .
C171 C174 H17I 109.5 .
H17G C174 H17I 109.5 .
H17H C174 H17I 109.5 .
O181 C180 O180 125.0(10) .
O181 C180 C181 119.3(11) .
O180 C180 C181 115.7(10) .
C183 C181 C182 109.2(12) .
C183 C181 C184 111.8(11) .
C182 C181 C184 110.7(12) .
C183 C181 C180 107.3(10) .
C182 C181 C180 110.6(10) .
C184 C181 C180 107.3(11) .
C181 C182 H18A 109.5 .
C181 C182 H18B 109.5 .
H18A C182 H18B 109.5 .
C181 C182 H18C 109.5 .
H18A C182 H18C 109.5 .
H18B C182 H18C 109.5 .
C181 C183 H18D 109.5 .
C181 C183 H18E 109.5 .
H18D C183 H18E 109.5 .
C181 C183 H18F 109.5 .
H18D C183 H18F 109.5 .
H18E C183 H18F 109.5 .
C181 C184 H18G 109.5 .
C181 C184 H18H 109.5 .
H18G C184 H18H 109.5 .
C181 C184 H18I 109.5 .
H18G C184 H18I 109.5 .
H18H C184 H18I 109.5 .
O190 C190 O191 125.7(10) .
O190 C190 C191 118.4(11) .
O191 C190 C191 115.8(11) .
C193 C191 C194 109.3(11) .
C193 C191 C192 113.7(12) .
C194 C191 C192 108.4(12) .
C193 C191 C190 109.0(11) .
C194 C191 C190 109.8(11) .
C192 C191 C190 106.6(10) .
C191 C192 H19A 109.5 .
C191 C192 H19B 109.5 .
H19A C192 H19B 109.5 .
C191 C192 H19C 109.5 .
H19A C192 H19C 109.5 .
H19B C192 H19C 109.5 .
C191 C193 H19D 109.5 .
C191 C193 H19E 109.5 .
H19D C193 H19E 109.5 .
C191 C193 H19F 109.5 .
H19D C193 H19F 109.5 .
H19E C193 H19F 109.5 .
C191 C194 H19G 109.5 .
C191 C194 H19H 109.5 .
H19G C194 H19H 109.5 .
C191 C194 H19I 109.5 .
H19G C194 H19I 109.5 .
H19H C194 H19I 109.5 .
O201 C200 O200 125.7(8) .
O201 C200 C201 119.1(8) .
O200 C200 C201 115.2(8) .
C206 C201 C205 109.5(7) .
C206 C201 C200 109.9(7) .
C205 C201 C200 109.7(7) .
C206 C201 C203 31.2(10) .
C205 C201 C203 132.9(10) .
C200 C201 C203 109.7(7) .
C206 C201 C204 132.8(10) .
C205 C201 C204 80.4(10) .
C200 C201 C204 109.3(7) .
C203 C201 C204 109.4(7) .
C206 C201 C202 80.8(10) .
C205 C201 C202 31.5(10) .
C200 C201 C202 109.3(7) .
C203 C201 C202 109.6(7) .
C204 C201 C202 109.6(7) .
C206 C201 C207 109.4(7) .
C205 C201 C207 109.2(7) .
C200 C201 C207 109.2(7) .
C203 C201 C207 80.7(10) .
C204 C201 C207 31.3(10) .
C202 C201 C207 133.4(10) .
C201 C202 H20A 109.5 .
C201 C202 H20B 109.5 .
H20A C202 H20B 109.5 .
C201 C202 H20C 109.5 .
H20A C202 H20C 109.5 .
H20B C202 H20C 109.5 .
C201 C203 H20D 109.5 .
C201 C203 H20E 109.5 .
H20D C203 H20E 109.5 .
C201 C203 H20F 109.5 .
H20D C203 H20F 109.5 .
H20E C203 H20F 109.5 .
C201 C204 H20G 109.5 .
C201 C204 H20H 109.5 .
H20G C204 H20H 109.5 .
C201 C204 H20I 109.5 .
H20G C204 H20I 109.5 .
H20H C204 H20I 109.5 .
C201 C205 H20J 109.5 .
C201 C205 H20K 109.5 .
H20J C205 H20K 109.5 .
C201 C205 H20L 109.5 .
H20J C205 H20L 109.5 .
H20K C205 H20L 109.5 .
C201 C206 H20M 109.5 .
C201 C206 H20N 109.5 .
H20M C206 H20N 109.5 .
C201 C206 H20O 109.5 .
H20M C206 H20O 109.5 .
H20N C206 H20O 109.5 .
C201 C207 H20P 109.5 .
C201 C207 H20Q 109.5 .
H20P C207 H20Q 109.5 .
C201 C207 H20R 109.5 .
H20P C207 H20R 109.5 .
H20Q C207 H20R 109.5 .
O210 C210 O211 123.9(11) .
O210 C210 C211 118.9(11) .
O211 C210 C211 117.0(11) .
C210 C211 C214 116.1(15) .
C210 C211 C212 110.9(10) .
C214 C211 C212 124.2(17) .
C210 C211 C215 111.9(13) .
C214 C211 C215 59.3(18) .
C212 C211 C215 125.5(15) .
C210 C211 C216 105.2(13) .
C214 C211 C216 41.7(16) .
C212 C211 C216 98.8(14) .
C215 C211 C216 100.9(18) .
C210 C211 C213 100.9(15) .
C214 C211 C213 101(2) .
C212 C211 C213 97.7(15) .
C215 C211 C213 42.3(15) .
C216 C211 C213 141.5(18) .
C211 C212 H21A 109.5 .
C211 C212 H21B 109.5 .
H21A C212 H21B 109.5 .
C211 C212 H21C 109.5 .
H21A C212 H21C 109.5 .
H21B C212 H21C 109.5 .
C211 C213 H21D 109.5 .
C211 C213 H21E 109.5 .
H21D C213 H21E 109.5 .
C211 C213 H21F 109.5 .
H21D C213 H21F 109.5 .
H21E C213 H21F 109.5 .
C211 C214 H21G 109.5 .
C211 C214 H21H 109.5 .
H21G C214 H21H 109.5 .
C211 C214 H21I 109.5 .
H21G C214 H21I 109.5 .
H21H C214 H21I 109.5 .
C211 C215 H21J 109.5 .
C211 C215 H21K 109.5 .
H21J C215 H21K 109.5 .
C211 C215 H21L 109.5 .
H21J C215 H21L 109.5 .
H21K C215 H21L 109.5 .
C211 C216 H21M 109.5 .
C211 C216 H21N 109.5 .
H21M C216 H21N 109.5 .
C211 C216 H21O 109.5 .
H21M C216 H21O 109.5 .
H21N C216 H21O 109.5 .
O220 C220 O221 127.4(7) .
O220 C220 C221 116.4(8) .
O221 C220 C221 116.1(8) .
C223 C221 C227 130.1(9) .
C223 C221 C222 111.3(7) .
C227 C221 C222 25.4(9) .
C223 C221 C226 81.3(10) .
C227 C221 C226 110.3(7) .
C222 C221 C226 129.7(10) .
C223 C221 C220 110.4(7) .
C227 C221 C220 110.2(7) .
C222 C221 C220 110.0(7) .
C226 C221 C220 110.0(7) .
C223 C221 C225 29.4(10) .
C227 C221 C225 109.6(7) .
C222 C221 C225 86.2(10) .
C226 C221 C225 109.3(7) .
C220 C221 C225 107.4(7) .
C223 C221 C224 108.6(7) .
C227 C221 C224 85.4(10) .
C222 C221 C224 109.0(7) .
C226 C221 C224 28.8(10) .
C220 C221 C224 107.3(7) .
C225 C221 C224 133.9(10) .
C221 C222 H22A 109.5 .
C221 C222 H22B 109.5 .
H22A C222 H22B 109.5 .
C221 C222 H22C 109.5 .
H22A C222 H22C 109.5 .
H22B C222 H22C 109.5 .
C221 C223 H22D 109.5 .
C221 C223 H22E 109.5 .
H22D C223 H22E 109.5 .
C221 C223 H22F 109.5 .
H22D C223 H22F 109.5 .
H22E C223 H22F 109.5 .
C221 C224 H22G 109.5 .
C221 C224 H22H 109.5 .
H22G C224 H22H 109.5 .
C221 C224 H22I 109.5 .
H22G C224 H22I 109.5 .
H22H C224 H22I 109.5 .
C221 C225 H22J 109.5 .
C221 C225 H22K 109.5 .
H22J C225 H22K 109.5 .
C221 C225 H22L 109.5 .
H22J C225 H22L 109.5 .
H22K C225 H22L 109.5 .
C221 C226 H22M 109.5 .
C221 C226 H22N 109.5 .
H22M C226 H22N 109.5 .
C221 C226 H22O 109.5 .
H22M C226 H22O 109.5 .
H22N C226 H22O 109.5 .
C221 C227 H22P 109.5 .
C221 C227 H22Q 109.5 .
H22P C227 H22Q 109.5 .
C221 C227 H22R 109.5 .
H22P C227 H22R 109.5 .
H22Q C227 H22R 109.5 .
O230 C230 O231 125.6(9) .
O230 C230 C231 118.0(10) .
O231 C230 C231 116.5(10) .
C234 C231 C230 111.4(10) .
C234 C231 C232 111.0(10) .
C230 C231 C232 109.8(9) .
C234 C231 C233 109.8(10) .
C230 C231 C233 106.0(10) .
C232 C231 C233 108.7(10) .
C231 C232 H23A 109.5 .
C231 C232 H23B 109.5 .
H23A C232 H23B 109.5 .
C231 C232 H23C 109.5 .
H23A C232 H23C 109.5 .
H23B C232 H23C 109.5 .
C231 C233 H23D 109.5 .
C231 C233 H23E 109.5 .
H23D C233 H23E 109.5 .
C231 C233 H23F 109.5 .
H23D C233 H23F 109.5 .
H23E C233 H23F 109.5 .
C231 C234 H23G 109.5 .
C231 C234 H23H 109.5 .
H23G C234 H23H 109.5 .
C231 C234 H23I 109.5 .
H23G C234 H23I 109.5 .
H23H C234 H23I 109.5 .
O240 C240 O241 122.5(12) .
O240 C240 C241 127.5(13) .
O241 C240 C241 106.9(13) .
O240 C240 O242 96.4(13) .
O241 C240 O242 74.7(12) .
C241 C240 O242 113.7(14) .
C240 C241 C243 108.9(14) .
C240 C241 C244 112.1(15) .
C243 C241 C244 110.3(14) .
C240 C241 C242 109.6(12) .
C243 C241 C242 111.3(15) .
C244 C241 C242 104.6(14) .
C241 C242 H24A 109.5 .
C241 C242 H24B 109.5 .
H24A C242 H24B 109.5 .
C241 C242 H24C 109.5 .
H24A C242 H24C 109.5 .
H24B C242 H24C 109.5 .
C241 C243 H24D 109.5 .
C241 C243 H24E 109.5 .
H24D C243 H24E 109.5 .
C241 C243 H24F 109.5 .
H24D C243 H24F 109.5 .
H24E C243 H24F 109.5 .
C241 C244 H24G 109.5 .
C241 C244 H24H 109.5 .
H24G C244 H24H 109.5 .
C241 C244 H24I 109.5 .
H24G C244 H24I 109.5 .
H24H C244 H24I 109.5 .
O250 C250 O251 122.7(11) .
O250 C250 C251 121.9(12) .
O251 C250 C251 115.4(11) .
C253 C251 C250 106.4(11) .
C253 C251 C254 113.7(13) .
C250 C251 C254 111.3(11) .
C253 C251 C252 108.0(12) .
C250 C251 C252 108.9(11) .
C254 C251 C252 108.4(12) .
C251 C252 H25A 109.5 .
C251 C252 H25B 109.5 .
H25A C252 H25B 109.5 .
C251 C252 H25C 109.5 .
H25A C252 H25C 109.5 .
H25B C252 H25C 109.5 .
C251 C253 H25D 109.5 .
C251 C253 H25E 109.5 .
H25D C253 H25E 109.5 .
C251 C253 H25F 109.5 .
H25D C253 H25F 109.5 .
H25E C253 H25F 109.5 .
C251 C254 H25G 109.5 .
C251 C254 H25H 109.5 .
H25G C254 H25H 109.5 .
C251 C254 H25I 109.5 .
H25G C254 H25I 109.5 .
H25H C254 H25I 109.5 .
N1S C1S C2S 177.5(19) .
N3S C6S C5S 170(6) .
C6S C5S H5S1 109.5 .
C6S C5S H5S2 109.5 .
H5S1 C5S H5S2 109.5 .
C6S C5S H5S3 109.5 .
H5S1 C5S H5S3 109.5 .
H5S2 C5S H5S3 109.5 .
N2S C3S C4S 177(2) .
C3S C4S H4S1 109.5 .
C3S C4S H4S2 109.5 .
H4S1 C4S H4S2 109.5 .
C3S C4S H4S3 109.5 .
H4S1 C4S H4S3 109.5 .
H4S2 C4S H4S3 109.5 .
N4S C7S C8S 161(4) .
N1T C1T C2T 163(4) .
C1T C2T H2T1 109.5 .
C1T C2T H2T2 109.5 .
H2T1 C2T H2T2 109.5 .
C1T C2T H2T3 109.5 .
H2T1 C2T H2T3 109.5 .
H2T2 C2T H2T3 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O170 2.026(7) .
Ni1 O1 2.044(6) .
Ni1 O160 2.052(7) .
Ni1 O2 2.062(6) .
Ni1 O240 2.110(7) .
Ni1 O101 2.118(6) .
Ni1 Ni2 2.9286(19) .
Ni2 O2 2.018(6) .
Ni2 O161 2.022(7) .
Ni2 O180 2.035(8) .
Ni2 O1 2.052(6) .
Ni2 O111 2.067(6) .
Ni2 O250 2.142(7) .
Ni2 Ni3 2.9910(17) .
Ni3 O190 2.014(7) .
Ni3 O1 2.019(6) .
Ni3 O102 2.061(6) .
Ni3 O111 2.085(6) .
Ni3 O181 2.087(7) .
Ni3 O4 2.117(6) .
Ni4 O3 2.017(6) .
Ni4 O200 2.027(7) .
Ni4 O191 2.035(8) .
Ni4 O102 2.084(6) .
Ni4 O4 2.094(6) .
Ni4 O140 2.112(7) .
Ni5 N130 1.82(3) .
Ni5 O210 1.975(8) .
Ni5 O103 2.041(7) .
Ni5 O130 2.050(7) .
Ni5 N520 2.086(19) .
Ni5 N510 2.10(2) .
Ni5 O260 2.100(7) .
Ni5 O120 2.118(6) .
Ni5 C130 2.37(4) .
Ni5 C510 2.41(3) .
Ni6 O3 1.988(6) .
Ni6 O211 2.009(7) .
Ni6 O220 2.012(7) .
Ni6 O120 2.074(7) .
Ni6 O140 2.131(7) .
Ni6 O103 2.150(6) .
Ni7 O3 1.970(6) .
Ni7 O201 2.033(7) .
Ni7 O221 2.034(7) .
Ni7 O112 2.111(7) .
Ni7 O150 2.118(7) .
Ni7 N150 2.184(9) .
Ni8 O230 1.992(7) .
Ni8 O150 1.996(7) .
Ni8 O130 2.042(6) .
Ni8 O113 2.083(6) .
Ni8 N120 2.145(9) .
Ni8 O120 2.299(7) .
Ni9 O231 2.031(7) .
Ni9 O2 2.031(6) .
Ni9 O130 2.053(7) .
Ni9 O171 2.061(7) .
Ni9 O113 2.102(6) .
Ni9 O101 2.124(6) .
P1 O102 1.522(7) .
P1 O103 1.535(7) .
P1 O101 1.542(7) .
P1 C100 1.789(10) .
P2 O111 1.536(7) .
P2 O112 1.538(7) .
P2 O113 1.545(7) .
P2 C110 1.802(9) .
Cl12 C124 1.733(13) .
Cl15 C154 1.723(14) .
O120 C120 1.321(12) .
O130 C130 1.360(17) .
O130 C510 1.393(15) .
O140 C500 1.19(5) .
O140 C140 1.35(3) .
O150 C150 1.297(12) .
O160 C160 1.291(15) .
O161 C160 1.239(15) .
O170 C170 1.266(13) .
O171 C170 1.253(13) .
O180 C180 1.268(14) .
O181 C180 1.249(13) .
O190 C190 1.240(13) .
O191 C190 1.289(13) .
O200 C200 1.270(12) .
O201 C200 1.253(12) .
O210 C210 1.247(15) .
O211 C210 1.271(14) .
O220 C220 1.248(11) .
O221 C220 1.254(12) .
O230 C230 1.262(13) .
O231 C230 1.277(12) .
O240 C240 1.215(14) .
O241 C240 1.375(17) .
O242 C240 1.70(3) .
O250 C250 1.246(14) .
O251 C250 1.311(15) .
N120 C124 1.330(14) .
N120 C120 1.338(14) .
N150 C154 1.327(14) .
N150 C150 1.347(14) .
C100 C101 1.493(15) .
C100 H10A 0.9900 .
C100 H10B 0.9900 .
C101 C102 1.376(17) .
C101 C106 1.389(18) .
C102 C103 1.398(18) .
C102 H102 0.9500 .
C103 C104 1.37(2) .
C103 H103 0.9500 .
C104 C105 1.37(2) .
C104 H104 0.9500 .
C105 C106 1.387(17) .
C105 H105 0.9500 .
C106 H106 0.9500 .
C110 C111 1.489(14) .
C110 H11A 0.9900 .
C110 H11B 0.9900 .
C111 C112 1.380(15) .
C111 C116 1.392(15) .
C112 C113 1.385(16) .
C112 H112 0.9500 .
C113 C114 1.376(17) .
C113 H113 0.9500 .
C114 C115 1.379(17) .
C114 H114 0.9500 .
C115 C116 1.384(15) .
C115 H115 0.9500 .
C116 H116 0.9500 .
C120 C121 1.400(15) .
C121 C122 1.390(16) .
C121 H121 0.9500 .
C122 C123 1.389(17) .
C122 H122 0.9500 .
C123 C124 1.369(16) .
C123 H123 0.9500 .
N130 C130 1.3900 .
N130 C134 1.3900 .
C130 C131 1.3900 .
C131 C132 1.3900 .
C131 H131 0.9500 .
C132 C133 1.3900 .
C132 H132 0.9500 .
C133 C134 1.3900 .
C133 H133 0.9500 .
C134 Cl13 1.77(4) .
Cl13 Cl14 2.161(16) 2
N510 C510 1.3900 .
N510 C514 1.3900 .
C510 C511 1.3900 .
C511 C512 1.3900 .
C511 H511 0.9500 .
C512 C513 1.3900 .
C512 H512 0.9500 .
C513 C514 1.3900 .
C513 H513 0.9500 .
C514 Cl51 1.53(3) .
N520 C520 1.09(4) .
C520 C521 1.54(5) .
C521 H52A 0.9800 .
C521 H52B 0.9800 .
C521 H52C 0.9800 .
Cl14 C144 1.70(2) .
Cl14 Cl13 2.161(16) 2_545
N140 C144 1.38(2) .
N140 C140 1.40(3) .
C140 C141 1.38(3) .
C141 C142 1.43(3) .
C141 H141 0.9500 .
C142 C143 1.40(3) .
C142 H142 0.9500 .
C143 C144 1.34(3) .
C143 H143 0.9500 .
Cl50 C504 1.64(4) .
N500 C500 1.31(5) .
N500 C504 1.39(5) .
C500 C501 1.46(5) .
C501 C502 1.39(5) .
C501 H501 0.9500 .
C502 C503 1.34(5) .
C502 H502 0.9500 .
C503 C504 1.38(5) .
C503 H503 0.9500 .
C150 C151 1.396(16) .
C151 C152 1.362(16) .
C151 H151 0.9500 .
C152 C153 1.405(18) .
C152 H152 0.9500 .
C153 C154 1.383(18) .
C153 H153 0.9500 .
C160 C161 1.516(17) .
C161 C162 1.457(18) .
C161 C164 1.482(19) .
C161 C163 1.56(2) .
C162 H16A 0.9800 .
C162 H16B 0.9800 .
C162 H16C 0.9800 .
C163 H16D 0.9800 .
C163 H16E 0.9800 .
C163 H16F 0.9800 .
C164 H16G 0.9800 .
C164 H16H 0.9800 .
C164 H16I 0.9800 .
C170 C171 1.529(15) .
C171 C173 1.479(19) .
C171 C174 1.509(18) .
C171 C172 1.533(19) .
C172 H17A 0.9800 .
C172 H17B 0.9800 .
C172 H17C 0.9800 .
C173 H17D 0.9800 .
C173 H17E 0.9800 .
C173 H17F 0.9800 .
C174 H17G 0.9800 .
C174 H17H 0.9800 .
C174 H17I 0.9800 .
C180 C181 1.563(16) .
C181 C183 1.517(17) .
C181 C182 1.518(17) .
C181 C184 1.550(19) .
C182 H18A 0.9800 .
C182 H18B 0.9800 .
C182 H18C 0.9800 .
C183 H18D 0.9800 .
C183 H18E 0.9800 .
C183 H18F 0.9800 .
C184 H18G 0.9800 .
C184 H18H 0.9800 .
C184 H18I 0.9800 .
C190 C191 1.554(16) .
C191 C193 1.494(17) .
C191 C194 1.505(18) .
C191 C192 1.508(17) .
C192 H19A 0.9800 .
C192 H19B 0.9800 .
C192 H19C 0.9800 .
C193 H19D 0.9800 .
C193 H19E 0.9800 .
C193 H19F 0.9800 .
C194 H19G 0.9800 .
C194 H19H 0.9800 .
C194 H19I 0.9800 .
C200 C201 1.527(8) .
C201 C206 1.526(9) .
C201 C205 1.527(9) .
C201 C203 1.528(9) .
C201 C204 1.528(9) .
C201 C202 1.530(9) .
C201 C207 1.532(9) .
C202 H20A 0.9800 .
C202 H20B 0.9800 .
C202 H20C 0.9800 .
C203 H20D 0.9800 .
C203 H20E 0.9800 .
C203 H20F 0.9800 .
C204 H20G 0.9800 .
C204 H20H 0.9800 .
C204 H20I 0.9800 .
C205 H20J 0.9800 .
C205 H20K 0.9800 .
C205 H20L 0.9800 .
C206 H20M 0.9800 .
C206 H20N 0.9800 .
C206 H20O 0.9800 .
C207 H20P 0.9800 .
C207 H20Q 0.9800 .
C207 H20R 0.9800 .
C210 C211 1.511(17) .
C211 C214 1.515(11) .
C211 C212 1.518(9) .
C211 C215 1.519(10) .
C211 C216 1.544(11) .
C211 C213 1.544(11) .
C212 H21A 0.9800 .
C212 H21B 0.9800 .
C212 H21C 0.9800 .
C213 H21D 0.9800 .
C213 H21E 0.9800 .
C213 H21F 0.9800 .
C214 H21G 0.9800 .
C214 H21H 0.9800 .
C214 H21I 0.9800 .
C215 H21J 0.9800 .
C215 H21K 0.9800 .
C215 H21L 0.9800 .
C216 H21M 0.9800 .
C216 H21N 0.9800 .
C216 H21O 0.9800 .
C220 C221 1.536(8) .
C221 C223 1.513(9) .
C221 C227 1.520(9) .
C221 C222 1.521(9) .
C221 C226 1.521(9) .
C221 C225 1.538(9) .
C221 C224 1.545(9) .
C222 H22A 0.9800 .
C222 H22B 0.9800 .
C222 H22C 0.9800 .
C223 H22D 0.9800 .
C223 H22E 0.9800 .
C223 H22F 0.9800 .
C224 H22G 0.9800 .
C224 H22H 0.9800 .
C224 H22I 0.9800 .
C225 H22J 0.9800 .
C225 H22K 0.9800 .
C225 H22L 0.9800 .
C226 H22M 0.9800 .
C226 H22N 0.9800 .
C226 H22O 0.9800 .
C227 H22P 0.9800 .
C227 H22Q 0.9800 .
C227 H22R 0.9800 .
C230 C231 1.517(15) .
C231 C234 1.502(16) .
C231 C232 1.520(16) .
C231 C233 1.526(16) .
C232 H23A 0.9800 .
C232 H23B 0.9800 .
C232 H23C 0.9800 .
C233 H23D 0.9800 .
C233 H23E 0.9800 .
C233 H23F 0.9800 .
C234 H23G 0.9800 .
C234 H23H 0.9800 .
C234 H23I 0.9800 .
C240 C241 1.457(19) .
C241 C243 1.50(2) .
C241 C244 1.51(2) .
C241 C242 1.52(2) .
C242 H24A 0.9800 .
C242 H24B 0.9800 .
C242 H24C 0.9800 .
C243 H24D 0.9800 .
C243 H24E 0.9800 .
C243 H24F 0.9800 .
C244 H24G 0.9800 .
C244 H24H 0.9800 .
C244 H24I 0.9800 .
C250 C251 1.524(16) .
C251 C253 1.499(18) .
C251 C254 1.532(18) .
C251 C252 1.555(19) .
C252 H25A 0.9800 .
C252 H25B 0.9800 .
C252 H25C 0.9800 .
C253 H25D 0.9800 .
C253 H25E 0.9800 .
C253 H25F 0.9800 .
C254 H25G 0.9800 .
C254 H25H 0.9800 .
C254 H25I 0.9800 .
N1S C1S 1.149(18) .
C1S C2S 1.45(2) .
C2S H2S1 0.9800 .
C2S H2S2 0.9800 .
C2S H2S3 0.9800 .
N3S C6S 1.103(9) .
C6S C5S 1.544(9) .
C5S H5S1 0.9800 .
C5S H5S2 0.9800 .
C5S H5S3 0.9800 .
N2S C3S 1.11(2) .
C3S C4S 1.50(3) .
C4S H4S1 0.9800 .
C4S H4S2 0.9800 .
C4S H4S3 0.9800 .
N4S C7S 1.112(10) .
C7S C8S 1.552(10) .
C8S H8S1 0.9800 .
C8S H8S2 0.9800 .
C8S H8S3 0.9800 .
N1T C1T 1.110(10) .
C1T C2T 1.547(10) .
C2T H2T1 0.9800 .
C2T H2T2 0.9800 .
C2T H2T3 0.9800 .
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
O170 Ni1 Ni2 O2 -33.8(4) . .
O1 Ni1 Ni2 O2 150.8(4) . .
O160 Ni1 Ni2 O2 -105.9(3) . .
O240 Ni1 Ni2 O2 178.8(4) . .
O101 Ni1 Ni2 O2 66.0(3) . .
O170 Ni1 Ni2 O161 68.4(4) . .
O1 Ni1 Ni2 O161 -107.0(3) . .
O160 Ni1 Ni2 O161 -3.6(3) . .
O2 Ni1 Ni2 O161 102.2(3) . .
O240 Ni1 Ni2 O161 -78.9(3) . .
O101 Ni1 Ni2 O161 168.2(3) . .
O170 Ni1 Ni2 O180 144.9(4) . .
O1 Ni1 Ni2 O180 -30.5(4) . .
O160 Ni1 Ni2 O180 72.9(4) . .
O2 Ni1 Ni2 O180 178.7(4) . .
O240 Ni1 Ni2 O180 -2.4(4) . .
O101 Ni1 Ni2 O180 -115.3(3) . .
O170 Ni1 Ni2 O1 175.4(4) . .
O160 Ni1 Ni2 O1 103.4(3) . .
O2 Ni1 Ni2 O1 -150.8(4) . .
O240 Ni1 Ni2 O1 28.1(4) . .
O101 Ni1 Ni2 O1 -84.8(3) . .
O170 Ni1 Ni2 O111 -115.8(3) . .
O1 Ni1 Ni2 O111 68.8(3) . .
O160 Ni1 Ni2 O111 172.2(3) . .
O2 Ni1 Ni2 O111 -82.0(3) . .
O240 Ni1 Ni2 O111 96.9(3) . .
O101 Ni1 Ni2 O111 -16.0(3) . .
O170 Ni1 Ni2 O250 -0.8(4) . .
O1 Ni1 Ni2 O250 -176.2(4) . .
O160 Ni1 Ni2 O250 -72.8(3) . .
O2 Ni1 Ni2 O250 33.0(4) . .
O240 Ni1 Ni2 O250 -148.1(4) . .
O101 Ni1 Ni2 O250 99.0(3) . .
O170 Ni1 Ni2 Ni3 -153.8(3) . .
O1 Ni1 Ni2 Ni3 30.8(2) . .
O160 Ni1 Ni2 Ni3 134.2(2) . .
O2 Ni1 Ni2 Ni3 -120.0(3) . .
O240 Ni1 Ni2 Ni3 58.9(3) . .
O101 Ni1 Ni2 Ni3 -54.04(18) . .
O2 Ni2 Ni3 O190 -106.7(3) . .
O161 Ni2 Ni3 O190 -2.9(4) . .
O180 Ni2 Ni3 O190 72.8(4) . .
O1 Ni2 Ni3 O190 -36.3(4) . .
O111 Ni2 Ni3 O190 172.1(4) . .
O250 Ni2 Ni3 O190 144.9(4) . .
Ni1 Ni2 Ni3 O190 -68.4(3) . .
O2 Ni2 Ni3 O1 -70.4(3) . .
O161 Ni2 Ni3 O1 33.4(4) . .
O180 Ni2 Ni3 O1 109.1(3) . .
O111 Ni2 Ni3 O1 -151.6(4) . .
O250 Ni2 Ni3 O1 -178.8(4) . .
Ni1 Ni2 Ni3 O1 -32.0(3) . .
O2 Ni2 Ni3 O102 4.8(3) . .
O161 Ni2 Ni3 O102 108.6(4) . .
O180 Ni2 Ni3 O102 -175.7(3) . .
O1 Ni2 Ni3 O102 75.2(3) . .
O111 Ni2 Ni3 O102 -76.4(3) . .
O250 Ni2 Ni3 O102 -103.6(4) . .
Ni1 Ni2 Ni3 O102 43.2(2) . .
O2 Ni2 Ni3 O111 81.2(3) . .
O161 Ni2 Ni3 O111 -175.0(4) . .
O180 Ni2 Ni3 O111 -99.3(3) . .
O1 Ni2 Ni3 O111 151.6(4) . .
O250 Ni2 Ni3 O111 -27.2(4) . .
Ni1 Ni2 Ni3 O111 119.5(3) . .
O2 Ni2 Ni3 O181 -175.1(3) . .
O161 Ni2 Ni3 O181 -71.3(4) . .
O180 Ni2 Ni3 O181 4.4(3) . .
O1 Ni2 Ni3 O181 -104.7(3) . .
O111 Ni2 Ni3 O181 103.7(3) . .
O250 Ni2 Ni3 O181 76.5(4) . .
Ni1 Ni2 Ni3 O181 -136.77(19) . .
O2 Ni2 Ni3 O4 102.4(3) . .
O161 Ni2 Ni3 O4 -153.7(4) . .
O180 Ni2 Ni3 O4 -78.0(3) . .
O1 Ni2 Ni3 O4 172.8(4) . .
O111 Ni2 Ni3 O4 21.3(3) . .
O250 Ni2 Ni3 O4 -6.0(4) . .
Ni1 Ni2 Ni3 O4 140.8(2) . .
O190 Ni3 O1 Ni1 -108.2(4) . .
O102 Ni3 O1 Ni1 -20.4(4) . .
O111 Ni3 O1 Ni1 76.5(4) . .
O181 Ni3 O1 Ni1 167.5(4) . .
O4 Ni3 O1 Ni1 61.7(16) . .
Ni2 Ni3 O1 Ni1 95.8(4) . .
O190 Ni3 O1 Ni2 156.0(3) . .
O102 Ni3 O1 Ni2 -116.2(3) . .
O111 Ni3 O1 Ni2 -19.3(2) . .
O181 Ni3 O1 Ni2 71.7(3) . .
O4 Ni3 O1 Ni2 -34.1(16) . .
O170 Ni1 O1 Ni3 -163(4) . .
O160 Ni1 O1 Ni3 -169.9(4) . .
O2 Ni1 O1 Ni3 -77.5(4) . .
O240 Ni1 O1 Ni3 103.8(4) . .
O101 Ni1 O1 Ni3 5.7(4) . .
Ni2 Ni1 O1 Ni3 -97.2(4) . .
O170 Ni1 O1 Ni2 -66(4) . .
O160 Ni1 O1 Ni2 -72.7(3) . .
O2 Ni1 O1 Ni2 19.7(2) . .
O240 Ni1 O1 Ni2 -158.9(3) . .
O101 Ni1 O1 Ni2 102.9(2) . .
O2 Ni2 O1 Ni3 111.9(3) . .
O161 Ni2 O1 Ni3 -156.2(3) . .
O180 Ni2 O1 Ni3 -69.0(3) . .
O111 Ni2 O1 Ni3 19.5(3) . .
O250 Ni2 O1 Ni3 171(3) . .
Ni1 Ni2 O1 Ni3 132.0(3) . .
O2 Ni2 O1 Ni1 -20.2(2) . .
O161 Ni2 O1 Ni1 71.8(3) . .
O180 Ni2 O1 Ni1 159.0(3) . .
O111 Ni2 O1 Ni1 -112.5(3) . .
O250 Ni2 O1 Ni1 39(4) . .
Ni3 Ni2 O1 Ni1 -132.0(3) . .
O161 Ni2 O2 Ni9 -174.5(4) . .
O180 Ni2 O2 Ni9 170(100) . .
O1 Ni2 O2 Ni9 -79.2(4) . .
O111 Ni2 O2 Ni9 3.8(4) . .
O250 Ni2 O2 Ni9 104.7(4) . .
Ni1 Ni2 O2 Ni9 -99.2(5) . .
Ni3 Ni2 O2 Ni9 -39.7(4) . .
O161 Ni2 O2 Ni1 -75.3(3) . .
O180 Ni2 O2 Ni1 -91(17) . .
O1 Ni2 O2 Ni1 20.0(2) . .
O111 Ni2 O2 Ni1 103.0(2) . .
O250 Ni2 O2 Ni1 -156.1(3) . .
Ni3 Ni2 O2 Ni1 59.5(2) . .
O231 Ni9 O2 Ni2 -104.7(4) . .
O130 Ni9 O2 Ni2 -155(11) . .
O171 Ni9 O2 Ni2 166.4(4) . .
O113 Ni9 O2 Ni2 -13.8(5) . .
O101 Ni9 O2 Ni2 79.9(4) . .
O231 Ni9 O2 Ni1 157.7(3) . .
O130 Ni9 O2 Ni1 107(11) . .
O171 Ni9 O2 Ni1 68.8(3) . .
O113 Ni9 O2 Ni1 -111.4(3) . .
O101 Ni9 O2 Ni1 -17.7(2) . .
O170 Ni1 O2 Ni2 156.3(3) . .
O1 Ni1 O2 Ni2 -20.1(2) . .
O160 Ni1 O2 Ni2 70.8(3) . .
O240 Ni1 O2 Ni2 -8(3) . .
O101 Ni1 O2 Ni2 -116.6(3) . .
O170 Ni1 O2 Ni9 -69.4(3) . .
O1 Ni1 O2 Ni9 114.3(3) . .
O160 Ni1 O2 Ni9 -154.8(3) . .
O240 Ni1 O2 Ni9 126(2) . .
O101 Ni1 O2 Ni9 17.8(2) . .
Ni2 Ni1 O2 Ni9 134.4(4) . .
O201 Ni7 O3 Ni6 -111.8(4) . .
O221 Ni7 O3 Ni6 -20.3(4) . .
O112 Ni7 O3 Ni6 156.9(4) . .
O150 Ni7 O3 Ni6 71.7(4) . .
N150 Ni7 O3 Ni6 80.7(9) . .
O201 Ni7 O3 Ni4 19.8(4) . .
O221 Ni7 O3 Ni4 111.3(4) . .
O112 Ni7 O3 Ni4 -71.5(3) . .
O150 Ni7 O3 Ni4 -156.8(3) . .
N150 Ni7 O3 Ni4 -147.7(6) . .
O211 Ni6 O3 Ni7 139(3) . .
O220 Ni6 O3 Ni7 33.3(4) . .
O120 Ni6 O3 Ni7 -65.0(4) . .
O140 Ni6 O3 Ni7 127.7(4) . .
O103 Ni6 O3 Ni7 -143.0(4) . .
O211 Ni6 O3 Ni4 2(3) . .
O220 Ni6 O3 Ni4 -104.4(3) . .
O120 Ni6 O3 Ni4 157.3(3) . .
O140 Ni6 O3 Ni4 -9.9(3) . .
O103 Ni6 O3 Ni4 79.4(3) . .
O200 Ni4 O3 Ni7 -43.5(4) . .
O191 Ni4 O3 Ni7 -180(56) . .
O102 Ni4 O3 Ni7 128.1(4) . .
O4 Ni4 O3 Ni7 47.6(4) . .
O140 Ni4 O3 Ni7 -132.5(4) . .
O200 Ni4 O3 Ni6 99.0(3) . .
O191 Ni4 O3 Ni6 -37.4(16) . .
O102 Ni4 O3 Ni6 -89.3(3) . .
O4 Ni4 O3 Ni6 -169.8(3) . .
O140 Ni4 O3 Ni6 10.0(3) . .
O3 Ni4 O4 Ni3 98.1(3) . .
O200 Ni4 O4 Ni3 -166.5(3) . .
O191 Ni4 O4 Ni3 -73.8(3) . .
O102 Ni4 O4 Ni3 17.2(2) . .
O140 Ni4 O4 Ni3 90(20) . .
O190 Ni3 O4 Ni4 69.2(3) . .
O1 Ni3 O4 Ni4 -100.8(14) . .
O102 Ni3 O4 Ni4 -17.4(2) . .
O111 Ni3 O4 Ni4 -115.5(3) . .
O181 Ni3 O4 Ni4 153.4(3) . .
Ni2 Ni3 O4 Ni4 -130.06(16) . .
O102 P1 O101 Ni1 -53.6(6) . .
O103 P1 O101 Ni1 -179.3(4) . .
C100 P1 O101 Ni1 63.0(6) . .
O102 P1 O101 Ni9 71.7(5) . .
O103 P1 O101 Ni9 -54.0(5) . .
C100 P1 O101 Ni9 -171.7(4) . .
O170 Ni1 O101 P1 -143.6(5) . .
O1 Ni1 O101 P1 37.1(5) . .
O160 Ni1 O101 P1 -175.2(18) . .
O2 Ni1 O101 P1 120.8(5) . .
O240 Ni1 O101 P1 -53.0(5) . .
Ni2 Ni1 O101 P1 81.6(5) . .
O170 Ni1 O101 Ni9 78.6(3) . .
O1 Ni1 O101 Ni9 -100.7(2) . .
O160 Ni1 O101 Ni9 47(2) . .
O2 Ni1 O101 Ni9 -16.9(2) . .
O240 Ni1 O101 Ni9 169.2(2) . .
Ni2 Ni1 O101 Ni9 -56.15(19) . .
O231 Ni9 O101 P1 -165(2) . .
O2 Ni9 O101 P1 -123.2(4) . .
O130 Ni9 O101 P1 57.9(4) . .
O171 Ni9 O101 P1 144.8(4) . .
O113 Ni9 O101 P1 -23.9(4) . .
O231 Ni9 O101 Ni1 -25(2) . .
O2 Ni9 O101 Ni1 17.2(2) . .
O130 Ni9 O101 Ni1 -161.7(2) . .
O171 Ni9 O101 Ni1 -74.8(3) . .
O113 Ni9 O101 Ni1 116.5(2) . .
O103 P1 O102 Ni3 151.5(5) . .
O101 P1 O102 Ni3 26.9(7) . .
C100 P1 O102 Ni3 -92.6(6) . .
O103 P1 O102 Ni4 -30.7(6) . .
O101 P1 O102 Ni4 -155.3(4) . .
C100 P1 O102 Ni4 85.2(6) . .
O190 Ni3 O102 P1 104.9(6) . .
O1 Ni3 O102 P1 5.7(6) . .
O111 Ni3 O102 P1 -78.7(6) . .
O181 Ni3 O102 P1 143.6(11) . .
O4 Ni3 O102 P1 -164.2(6) . .
Ni2 Ni3 O102 P1 -36.1(6) . .
O190 Ni3 O102 Ni4 -73.4(3) . .
O1 Ni3 O102 Ni4 -172.5(2) . .
O111 Ni3 O102 Ni4 103.1(3) . .
O181 Ni3 O102 Ni4 -34.6(14) . .
O4 Ni3 O102 Ni4 17.5(3) . .
Ni2 Ni3 O102 Ni4 145.68(15) . .
O3 Ni4 O102 P1 65.4(5) . .
O200 Ni4 O102 P1 139.0(18) . .
O191 Ni4 O102 P1 -105.9(5) . .
O4 Ni4 O102 P1 163.8(5) . .
O140 Ni4 O102 P1 -15.4(5) . .
O3 Ni4 O102 Ni3 -116.2(3) . .
O200 Ni4 O102 Ni3 -43(2) . .
O191 Ni4 O102 Ni3 72.5(3) . .
O4 Ni4 O102 Ni3 -17.7(3) . .
O140 Ni4 O102 Ni3 163.1(3) . .
O102 P1 O103 Ni5 -135.7(5) . .
O101 P1 O103 Ni5 -9.7(6) . .
C100 P1 O103 Ni5 109.6(6) . .
O102 P1 O103 Ni6 14.5(6) . .
O101 P1 O103 Ni6 140.6(5) . .
C100 P1 O103 Ni6 -100.1(6) . .
N130 Ni5 O103 P1 52(6) . .
O210 Ni5 O103 P1 -131.4(5) . .
O130 Ni5 O103 P1 48.1(5) . .
N520 Ni5 O103 P1 158(8) . .
N510 Ni5 O103 P1 63(3) . .
O260 Ni5 O103 P1 -39.4(6) . .
O120 Ni5 O103 P1 129.9(5) . .
C130 Ni5 O103 P1 34.7(15) . .
C510 Ni5 O103 P1 41.1(13) . .
N130 Ni5 O103 Ni6 -105(6) . .
O210 Ni5 O103 Ni6 70.9(3) . .
O130 Ni5 O103 Ni6 -109.6(3) . .
N520 Ni5 O103 Ni6 0(8) . .
N510 Ni5 O103 Ni6 -95(3) . .
O260 Ni5 O103 Ni6 162.9(3) . .
O120 Ni5 O103 Ni6 -27.8(2) . .
C130 Ni5 O103 Ni6 -123.0(14) . .
C510 Ni5 O103 Ni6 -116.6(12) . .
O3 Ni6 O103 P1 -39.1(5) . .
O211 Ni6 O103 P1 135.3(5) . .
O220 Ni6 O103 P1 -138(4) . .
O120 Ni6 O103 P1 -129.5(5) . .
O140 Ni6 O103 P1 43.2(5) . .
O3 Ni6 O103 Ni5 119.0(3) . .
O211 Ni6 O103 Ni5 -66.6(3) . .
O220 Ni6 O103 Ni5 20(4) . .
O120 Ni6 O103 Ni5 28.6(3) . .
O140 Ni6 O103 Ni5 -158.7(3) . .
O112 P2 O111 Ni2 169.0(4) . .
O113 P2 O111 Ni2 -66.4(6) . .
C110 P2 O111 Ni2 51.6(6) . .
O112 P2 O111 Ni3 -55.1(5) . .
O113 P2 O111 Ni3 69.5(5) . .
C110 P2 O111 Ni3 -172.5(5) . .
O2 Ni2 O111 P2 41.3(5) . .
O161 Ni2 O111 P2 -161(3) . .
O180 Ni2 O111 P2 -138.5(5) . .
O1 Ni2 O111 P2 126.4(5) . .
O250 Ni2 O111 P2 -51.4(6) . .
Ni1 Ni2 O111 P2 85.5(5) . .
Ni3 Ni2 O111 P2 145.3(6) . .
O2 Ni2 O111 Ni3 -104.0(2) . .
O161 Ni2 O111 Ni3 54(4) . .
O180 Ni2 O111 Ni3 76.3(3) . .
O1 Ni2 O111 Ni3 -18.8(2) . .
O250 Ni2 O111 Ni3 163.4(3) . .
Ni1 Ni2 O111 Ni3 -59.8(2) . .
O190 Ni3 O111 P2 106(3) . .
O1 Ni3 O111 P2 -130.1(5) . .
O102 Ni3 O111 P2 -33.8(5) . .
O181 Ni3 O111 P2 138.3(5) . .
O4 Ni3 O111 P2 47.3(5) . .
Ni2 Ni3 O111 P2 -149.3(6) . .
O190 Ni3 O111 Ni2 -105(3) . .
O1 Ni3 O111 Ni2 19.1(2) . .
O102 Ni3 O111 Ni2 115.4(2) . .
O181 Ni3 O111 Ni2 -72.4(3) . .
O4 Ni3 O111 Ni2 -163.4(3) . .
O111 P2 O112 Ni7 135.8(4) . .
O113 P2 O112 Ni7 11.9(6) . .
C110 P2 O112 Ni7 -106.9(5) . .
O3 Ni7 O112 P2 -58.2(5) . .
O201 Ni7 O112 P2 -156.2(5) . .
O221 Ni7 O112 P2 -1(5) . .
O150 Ni7 O112 P2 37.0(5) . .
N150 Ni7 O112 P2 98.5(5) . .
O111 P2 O113 Ni8 179.5(4) . .
O112 P2 O113 Ni8 -57.8(6) . .
C110 P2 O113 Ni8 61.3(6) . .
O111 P2 O113 Ni9 41.5(6) . .
O112 P2 O113 Ni9 164.2(4) . .
C110 P2 O113 Ni9 -76.7(5) . .
O230 Ni8 O113 P2 -74.0(5) . .
O150 Ni8 O113 P2 27.6(5) . .
O130 Ni8 O113 P2 -167.9(5) . .
N120 Ni8 O113 P2 101.4(12) . .
O120 Ni8 O113 P2 115.7(5) . .
O230 Ni8 O113 Ni9 73.5(3) . .
O150 Ni8 O113 Ni9 175.1(3) . .
O130 Ni8 O113 Ni9 -20.3(3) . .
N120 Ni8 O113 Ni9 -111.1(12) . .
O120 Ni8 O113 Ni9 -96.7(2) . .
O231 Ni9 O113 P2 81.3(5) . .
O2 Ni9 O113 P2 -9.3(5) . .
O130 Ni9 O113 P2 169.9(5) . .
O171 Ni9 O113 P2 169.8(11) . .
O101 Ni9 O113 P2 -94.4(5) . .
O231 Ni9 O113 Ni8 -68.3(3) . .
O2 Ni9 O113 Ni8 -158.9(2) . .
O130 Ni9 O113 Ni8 20.3(2) . .
O171 Ni9 O113 Ni8 20.2(14) . .
O101 Ni9 O113 Ni8 116.0(2) . .
O3 Ni6 O120 C120 113.6(9) . .
O211 Ni6 O120 C120 -68.8(9) . .
O220 Ni6 O120 C120 19.8(10) . .
O140 Ni6 O120 C120 171.1(10) . .
O103 Ni6 O120 C120 -159.6(10) . .
O3 Ni6 O120 Ni5 -114.3(3) . .
O211 Ni6 O120 Ni5 63.3(3) . .
O220 Ni6 O120 Ni5 151.9(3) . .
O140 Ni6 O120 Ni5 -56.8(11) . .
O103 Ni6 O120 Ni5 -27.5(2) . .
O3 Ni6 O120 Ni8 -17.1(4) . .
O211 Ni6 O120 Ni8 160.6(4) . .
O220 Ni6 O120 Ni8 -110.8(4) . .
O140 Ni6 O120 Ni8 40.5(12) . .
O103 Ni6 O120 Ni8 69.8(4) . .
N130 Ni5 O120 C120 -21.0(17) . .
O210 Ni5 O120 C120 81.7(8) . .
O103 Ni5 O120 C120 173.2(8) . .
O130 Ni5 O120 C120 -87.6(7) . .
N520 Ni5 O120 C120 -4.5(10) . .
N510 Ni5 O120 C120 -19.5(11) . .
O260 Ni5 O120 C120 -126.3(15) . .
C130 Ni5 O120 C120 -57.1(11) . .
C510 Ni5 O120 C120 -54.7(9) . .
N130 Ni5 O120 Ni6 -165.3(16) . .
O210 Ni5 O120 Ni6 -62.6(3) . .
O103 Ni5 O120 Ni6 28.9(3) . .
O130 Ni5 O120 Ni6 128.1(3) . .
N520 Ni5 O120 Ni6 -148.8(7) . .
N510 Ni5 O120 Ni6 -163.8(9) . .
O260 Ni5 O120 Ni6 89.4(15) . .
C130 Ni5 O120 Ni6 158.6(8) . .
C510 Ni5 O120 Ni6 161.0(6) . .
N130 Ni5 O120 Ni8 68.9(16) . .
O210 Ni5 O120 Ni8 171.6(3) . .
O103 Ni5 O120 Ni8 -96.9(3) . .
O130 Ni5 O120 Ni8 2.3(2) . .
N520 Ni5 O120 Ni8 85.4(7) . .
N510 Ni5 O120 Ni8 70.3(9) . .
O260 Ni5 O120 Ni8 -36.4(16) . .
C130 Ni5 O120 Ni8 32.8(8) . .
C510 Ni5 O120 Ni8 35.2(6) . .
O230 Ni8 O120 C120 38.8(10) . .
O150 Ni8 O120 C120 -81.1(6) . .
O130 Ni8 O120 C120 112.8(6) . .
O113 Ni8 O120 C120 -168.7(5) . .
N120 Ni8 O120 C120 7.2(6) . .
O230 Ni8 O120 Ni6 -173.9(6) . .
O150 Ni8 O120 Ni6 66.2(4) . .
O130 Ni8 O120 Ni6 -99.9(4) . .
O113 Ni8 O120 Ni6 -21.4(4) . .
N120 Ni8 O120 Ni6 154.5(5) . .
O230 Ni8 O120 Ni5 -76.3(8) . .
O150 Ni8 O120 Ni5 163.9(3) . .
O130 Ni8 O120 Ni5 -2.3(2) . .
O113 Ni8 O120 Ni5 76.2(3) . .
N120 Ni8 O120 Ni5 -107.9(4) . .
O230 Ni8 O130 C130 69(3) . .
O150 Ni8 O130 C130 -140(3) . .
O113 Ni8 O130 C130 162(3) . .
N120 Ni8 O130 C130 -33(3) . .
O120 Ni8 O130 C130 -91(3) . .
O230 Ni8 O130 C510 69.4(16) . .
O150 Ni8 O130 C510 -139.3(17) . .
O113 Ni8 O130 C510 162.6(16) . .
N120 Ni8 O130 C510 -32.2(17) . .
O120 Ni8 O130 C510 -90.0(16) . .
O230 Ni8 O130 Ni5 161.8(3) . .
O150 Ni8 O130 Ni5 -46.9(10) . .
O113 Ni8 O130 Ni5 -104.9(3) . .
N120 Ni8 O130 Ni5 60.3(4) . .
O120 Ni8 O130 Ni5 2.5(3) . .
O230 Ni8 O130 Ni9 -72.3(3) . .
O150 Ni8 O130 Ni9 78.9(9) . .
O113 Ni8 O130 Ni9 20.9(3) . .
N120 Ni8 O130 Ni9 -173.9(3) . .
O120 Ni8 O130 Ni9 128.3(3) . .
N130 Ni5 O130 C130 19.0(12) . .
O210 Ni5 O130 C130 15(3) . .
O103 Ni5 O130 C130 -162(2) . .
N520 Ni5 O130 C130 22(2) . .
N510 Ni5 O130 C130 22(2) . .
O260 Ni5 O130 C130 -68(2) . .
O120 Ni5 O130 C130 120(2) . .
C510 Ni5 O130 C130 9(3) . .
N130 Ni5 O130 C510 10(3) . .
O210 Ni5 O130 C510 6(2) . .
O103 Ni5 O130 C510 -171.0(15) . .
N520 Ni5 O130 C510 13.5(17) . .
N510 Ni5 O130 C510 12.8(13) . .
O260 Ni5 O130 C510 -77.1(15) . .
O120 Ni5 O130 C510 110.6(15) . .
C130 Ni5 O130 C510 -9(3) . .
N130 Ni5 O130 Ni8 -103.2(16) . .
O210 Ni5 O130 Ni8 -107.0(15) . .
O103 Ni5 O130 Ni8 75.7(3) . .
N520 Ni5 O130 Ni8 -99.8(5) . .
N510 Ni5 O130 Ni8 -100.5(8) . .
O260 Ni5 O130 Ni8 169.6(3) . .
O120 Ni5 O130 Ni8 -2.7(3) . .
C130 Ni5 O130 Ni8 -122(2) . .
C510 Ni5 O130 Ni8 -113.3(16) . .
N130 Ni5 O130 Ni9 150.2(16) . .
O210 Ni5 O130 Ni9 146.5(14) . .
O103 Ni5 O130 Ni9 -30.9(4) . .
N520 Ni5 O130 Ni9 153.7(6) . .
N510 Ni5 O130 Ni9 152.9(8) . .
O260 Ni5 O130 Ni9 63.1(4) . .
O120 Ni5 O130 Ni9 -109.2(4) . .
C130 Ni5 O130 Ni9 131(2) . .
C510 Ni5 O130 Ni9 140.2(16) . .
O231 Ni9 O130 C130 -68(3) . .
O2 Ni9 O130 C130 -18(12) . .
O171 Ni9 O130 C130 21(3) . .
O113 Ni9 O130 C130 -159(3) . .
O101 Ni9 O130 C130 107(3) . .
O231 Ni9 O130 C510 -59(2) . .
O2 Ni9 O130 C510 -9(12) . .
O171 Ni9 O130 C510 30(2) . .
O113 Ni9 O130 C510 -150(2) . .
O101 Ni9 O130 C510 116(2) . .
O231 Ni9 O130 Ni8 70.3(3) . .
O2 Ni9 O130 Ni8 121(11) . .
O171 Ni9 O130 Ni8 159.2(3) . .
O113 Ni9 O130 Ni8 -20.8(3) . .
O101 Ni9 O130 Ni8 -114.4(3) . .
O231 Ni9 O130 Ni5 -179.1(4) . .
O2 Ni9 O130 Ni5 -129(11) . .
O171 Ni9 O130 Ni5 -90.2(4) . .
O113 Ni9 O130 Ni5 89.8(4) . .
O101 Ni9 O130 Ni5 -3.8(4) . .
O3 Ni4 O140 C500 136(3) . .
O200 Ni4 O140 C500 40(3) . .
O191 Ni4 O140 C500 -52(3) . .
O102 Ni4 O140 C500 -143(3) . .
O4 Ni4 O140 C500 144(19) . .
O3 Ni4 O140 C140 129.8(13) . .
O200 Ni4 O140 C140 34.3(13) . .
O191 Ni4 O140 C140 -58.3(13) . .
O102 Ni4 O140 C140 -149.4(13) . .
O4 Ni4 O140 C140 138(19) . .
O3 Ni4 O140 Ni6 -9.2(3) . .
O200 Ni4 O140 Ni6 -104.7(3) . .
O191 Ni4 O140 Ni6 162.7(3) . .
O102 Ni4 O140 Ni6 71.6(3) . .
O4 Ni4 O140 Ni6 -1(20) . .
O3 Ni6 O140 C500 -144(2) . .
O211 Ni6 O140 C500 38(2) . .
O220 Ni6 O140 C500 -50(2) . .
O120 Ni6 O140 C500 158(3) . .
O103 Ni6 O140 C500 129(2) . .
O3 Ni6 O140 C140 -118.8(14) . .
O211 Ni6 O140 C140 62.3(14) . .
O220 Ni6 O140 C140 -25.7(14) . .
O120 Ni6 O140 C140 -177.2(15) . .
O103 Ni6 O140 C140 154.2(14) . .
O3 Ni6 O140 Ni4 9.3(3) . .
O211 Ni6 O140 Ni4 -169.5(3) . .
O220 Ni6 O140 Ni4 102.5(3) . .
O120 Ni6 O140 Ni4 -49.0(11) . .
O103 Ni6 O140 Ni4 -77.6(3) . .
O230 Ni8 O150 C150 -10.9(10) . .
O130 Ni8 O150 C150 -161.5(10) . .
O113 Ni8 O150 C150 -104.4(10) . .
N120 Ni8 O150 C150 89.7(10) . .
O120 Ni8 O150 C150 150.2(10) . .
O230 Ni8 O150 Ni7 139.8(4) . .
O130 Ni8 O150 Ni7 -10.8(12) . .
O113 Ni8 O150 Ni7 46.3(4) . .
N120 Ni8 O150 Ni7 -119.6(4) . .
O120 Ni8 O150 Ni7 -59.1(4) . .
O3 Ni7 O150 C150 173.3(6) . .
O201 Ni7 O150 C150 8.3(15) . .
O221 Ni7 O150 C150 -92.3(6) . .
O112 Ni7 O150 C150 89.7(6) . .
N150 Ni7 O150 C150 -2.5(6) . .
O3 Ni7 O150 Ni8 13.1(4) . .
O201 Ni7 O150 Ni8 -151.9(10) . .
O221 Ni7 O150 Ni8 107.4(4) . .
O112 Ni7 O150 Ni8 -70.5(4) . .
N150 Ni7 O150 Ni8 -162.8(5) . .
O170 Ni1 O160 C160 -130.1(9) . .
O1 Ni1 O160 C160 49.5(9) . .
O2 Ni1 O160 C160 -35.0(9) . .
O240 Ni1 O160 C160 138.7(9) . .
O101 Ni1 O160 C160 -98(2) . .
Ni2 Ni1 O160 C160 6.5(9) . .
O2 Ni2 O161 C160 46.4(9) . .
O180 Ni2 O161 C160 -133.8(9) . .
O1 Ni2 O161 C160 -39.2(10) . .
O111 Ni2 O161 C160 -112(4) . .
O250 Ni2 O161 C160 138.3(10) . .
Ni1 Ni2 O161 C160 2.9(9) . .
Ni3 Ni2 O161 C160 -61.0(10) . .
O1 Ni1 O170 C170 116(4) . .
O160 Ni1 O170 C170 122.5(10) . .
O2 Ni1 O170 C170 30.4(10) . .
O240 Ni1 O170 C170 -151.3(9) . .
O101 Ni1 O170 C170 -53.2(9) . .
Ni2 Ni1 O170 C170 53.0(10) . .
O231 Ni9 O171 C170 -126.9(10) . .
O2 Ni9 O171 C170 -36.5(10) . .
O130 Ni9 O171 C170 144.3(10) . .
O113 Ni9 O171 C170 144.4(13) . .
O101 Ni9 O171 C170 47.8(10) . .
O2 Ni2 O180 C180 140(16) . .
O161 Ni2 O180 C180 124.0(9) . .
O1 Ni2 O180 C180 28.7(9) . .
O111 Ni2 O180 C180 -54.3(9) . .
O250 Ni2 O180 C180 -155.2(9) . .
Ni1 Ni2 O180 C180 49.6(10) . .
Ni3 Ni2 O180 C180 -10.9(9) . .
O190 Ni3 O181 C180 -141.4(9) . .
O1 Ni3 O181 C180 -42.0(9) . .
O102 Ni3 O181 C180 179.8(12) . .
O111 Ni3 O181 C180 41.6(9) . .
O4 Ni3 O181 C180 128.3(9) . .
Ni2 Ni3 O181 C180 -0.5(9) . .
O1 Ni3 O190 C190 140.6(8) . .
O102 Ni3 O190 C190 44.0(8) . .
O111 Ni3 O190 C190 -96(3) . .
O181 Ni3 O190 C190 -128.7(9) . .
O4 Ni3 O190 C190 -37.6(9) . .
Ni2 Ni3 O190 C190 164.9(7) . .
O3 Ni4 O191 C190 -84.6(17) . .
O200 Ni4 O191 C190 138.8(8) . .
O102 Ni4 O191 C190 -33.3(8) . .
O4 Ni4 O191 C190 48.3(8) . .
O140 Ni4 O191 C190 -131.4(8) . .
O3 Ni4 O200 C200 52.5(8) . .
O191 Ni4 O200 C200 -135.1(8) . .
O102 Ni4 O200 C200 -20(2) . .
O4 Ni4 O200 C200 -44.7(8) . .
O140 Ni4 O200 C200 134.5(8) . .
O3 Ni7 O201 C200 22.6(9) . .
O221 Ni7 O201 C200 -71.8(9) . .
O112 Ni7 O201 C200 106.8(9) . .
O150 Ni7 O201 C200 -172.6(10) . .
N150 Ni7 O201 C200 -162.7(9) . .
N130 Ni5 O210 C210 131.1(18) . .
O103 Ni5 O210 C210 -48.0(11) . .
O130 Ni5 O210 C210 134.6(15) . .
N520 Ni5 O210 C210 127.5(12) . .
N510 Ni5 O210 C210 128.5(13) . .
O260 Ni5 O210 C210 -142.5(11) . .
O120 Ni5 O210 C210 31.8(11) . .
C130 Ni5 O210 C210 146.8(18) . .
C510 Ni5 O210 C210 139.7(15) . .
O3 Ni6 O211 C210 114(3) . .
O220 Ni6 O211 C210 -139.8(10) . .
O120 Ni6 O211 C210 -41.6(10) . .
O140 Ni6 O211 C210 125.4(10) . .
O103 Ni6 O211 C210 36.5(10) . .
O3 Ni6 O220 C220 -28.3(9) . .
O211 Ni6 O220 C220 157.2(9) . .
O120 Ni6 O220 C220 61.9(9) . .
O140 Ni6 O220 C220 -110.9(9) . .
O103 Ni6 O220 C220 71(4) . .
O3 Ni7 O221 C220 -13.9(9) . .
O201 Ni7 O221 C220 84.4(9) . .
O112 Ni7 O221 C220 -70(5) . .
O150 Ni7 O221 C220 -108.8(9) . .
N150 Ni7 O221 C220 -170.3(9) . .
O150 Ni8 O230 C230 -135.4(8) . .
O130 Ni8 O230 C230 35.7(8) . .
O113 Ni8 O230 C230 -46.6(8) . .
N120 Ni8 O230 C230 134.6(8) . .
O120 Ni8 O230 C230 106.9(9) . .
O2 Ni9 O231 C230 140.1(9) . .
O130 Ni9 O231 C230 -40.9(9) . .
O171 Ni9 O231 C230 -128.3(9) . .
O113 Ni9 O231 C230 40.3(9) . .
O101 Ni9 O231 C230 -178(54) . .
O170 Ni1 O240 C240 -64.4(12) . .
O1 Ni1 O240 C240 112.0(12) . .
O160 Ni1 O240 C240 20.8(12) . .
O2 Ni1 O240 C240 100(3) . .
O101 Ni1 O240 C240 -152.2(12) . .
Ni2 Ni1 O240 C240 92.7(12) . .
O2 Ni2 O250 C250 144.7(10) . .
O161 Ni2 O250 C250 52.6(10) . .
O180 Ni2 O250 C250 -34.5(10) . .
O1 Ni2 O250 C250 86(4) . .
O111 Ni2 O250 C250 -123.1(10) . .
Ni1 Ni2 O250 C250 122.1(9) . .
Ni3 Ni2 O250 C250 -104.1(10) . .
O230 Ni8 N120 C124 19.6(14) . .
O150 Ni8 N120 C124 -81.9(13) . .
O130 Ni8 N120 C124 115.6(13) . .
O113 Ni8 N120 C124 -155.8(12) . .
O120 Ni8 N120 C124 -171.7(14) . .
O230 Ni8 N120 C120 -175.8(6) . .
O150 Ni8 N120 C120 82.6(6) . .
O130 Ni8 N120 C120 -79.9(6) . .
O113 Ni8 N120 C120 8.8(16) . .
O120 Ni8 N120 C120 -7.1(6) . .
O3 Ni7 N150 C154 170.4(14) . .
O201 Ni7 N150 C154 3.2(17) . .
O221 Ni7 N150 C154 -87.9(17) . .
O112 Ni7 N150 C154 95.4(17) . .
O150 Ni7 N150 C154 -179(100) . .
O3 Ni7 N150 C150 -7.8(11) . .
O201 Ni7 N150 C150 -175.0(6) . .
O221 Ni7 N150 C150 93.9(6) . .
O112 Ni7 N150 C150 -82.8(6) . .
O150 Ni7 N150 C150 2.4(6) . .
O102 P1 C100 C101 -173.1(8) . .
O103 P1 C100 C101 -53.9(9) . .
O101 P1 C100 C101 65.6(9) . .
P1 C100 C101 C102 106.4(12) . .
P1 C100 C101 C106 -73.3(13) . .
C106 C101 C102 C103 -4.5(18) . .
C100 C101 C102 C103 175.8(11) . .
C101 C102 C103 C104 4(2) . .
C102 C103 C104 C105 -1(2) . .
C103 C104 C105 C106 -1(2) . .
C104 C105 C106 C101 1(2) . .
C102 C101 C106 C105 1.8(19) . .
C100 C101 C106 C105 -178.5(12) . .
O111 P2 C110 C111 73.3(8) . .
O112 P2 C110 C111 -44.6(8) . .
O113 P2 C110 C111 -166.4(7) . .
P2 C110 C111 C112 -65.5(12) . .
P2 C110 C111 C116 114.6(10) . .
C116 C111 C112 C113 0.5(16) . .
C110 C111 C112 C113 -179.4(10) . .
C111 C112 C113 C114 0.3(18) . .
C112 C113 C114 C115 -1.7(19) . .
C113 C114 C115 C116 2.4(19) . .
C114 C115 C116 C111 -1.6(18) . .
C112 C111 C116 C115 0.2(17) . .
C110 C111 C116 C115 -179.9(10) . .
Ni6 O120 C120 N120 -152.8(7) . .
Ni5 O120 C120 N120 82.1(10) . .
Ni8 O120 C120 N120 -11.1(9) . .
Ni6 O120 C120 C121 27.2(15) . .
Ni5 O120 C120 C121 -97.9(10) . .
Ni8 O120 C120 C121 169.0(10) . .
C124 N120 C120 O120 -178.1(9) . .
Ni8 N120 C120 O120 11.9(9) . .
C124 N120 C120 C121 1.9(16) . .
Ni8 N120 C120 C121 -168.1(9) . .
O120 C120 C121 C122 179.6(10) . .
N120 C120 C121 C122 -0.4(16) . .
C120 C121 C122 C123 -1.4(17) . .
C121 C122 C123 C124 1.6(18) . .
C120 N120 C124 C123 -1.7(18) . .
Ni8 N120 C124 C123 160.7(10) . .
C120 N120 C124 Cl12 177.7(8) . .
Ni8 N120 C124 Cl12 -19.9(18) . .
C122 C123 C124 N120 0.0(19) . .
C122 C123 C124 Cl12 -179.5(9) . .
O210 Ni5 N130 C130 160.7(13) . .
O103 Ni5 N130 C130 -23(6) . .
O130 Ni5 N130 C130 -18.6(12) . .
N520 Ni5 N130 C130 174(6) . .
N510 Ni5 N130 C130 -130(48) . .
O260 Ni5 N130 C130 69.6(13) . .
O120 Ni5 N130 C130 -98.4(13) . .
C510 Ni5 N130 C130 -8(3) . .
O210 Ni5 N130 C134 3(4) . .
O103 Ni5 N130 C134 179(3) . .
O130 Ni5 N130 C134 -176(4) . .
N520 Ni5 N130 C134 16(4) . .
N510 Ni5 N130 C134 73(47) . .
O260 Ni5 N130 C134 -88(4) . .
O120 Ni5 N130 C134 104(3) . .
C130 Ni5 N130 C134 -158(4) . .
C510 Ni5 N130 C134 -166(6) . .
C510 O130 C130 N130 75(20) . .
Ni8 O130 C130 N130 79(2) . .
Ni5 O130 C130 N130 -24.0(15) . .
Ni9 O130 C130 N130 -152.0(15) . .
C510 O130 C130 C131 -91(21) . .
Ni8 O130 C130 C131 -86(4) . .
Ni5 O130 C130 C131 170(4) . .
Ni9 O130 C130 C131 42(5) . .
C510 O130 C130 Ni5 99(21) . .
Ni8 O130 C130 Ni5 103.4(14) . .
Ni9 O130 C130 Ni5 -128.0(16) . .
C134 N130 C130 O130 -168(3) . .
Ni5 N130 C130 O130 27.3(17) . .
C134 N130 C130 C131 0.0 . .
Ni5 N130 C130 C131 -165(3) . .
C134 N130 C130 Ni5 165(3) . .
N130 Ni5 C130 O130 -149(2) . .
O210 Ni5 C130 O130 -176.0(7) . .
O103 Ni5 C130 O130 24(3) . .
N520 Ni5 C130 O130 -151(3) . .
N510 Ni5 C130 O130 -146(3) . .
O260 Ni5 C130 O130 106.5(17) . .
O120 Ni5 C130 O130 -61.5(17) . .
C510 Ni5 C130 O130 -89(12) . .
O210 Ni5 C130 N130 -27.0(18) . .
O103 Ni5 C130 N130 173(2) . .
O130 Ni5 C130 N130 149(2) . .
N520 Ni5 C130 N130 -2(2) . .
N510 Ni5 C130 N130 3(3) . .
O260 Ni5 C130 N130 -104.5(17) . .
O120 Ni5 C130 N130 87.4(17) . .
C510 Ni5 C130 N130 60(12) . .
N130 Ni5 C130 C131 56(8) . .
O210 Ni5 C130 C131 29(8) . .
O103 Ni5 C130 C131 -131(7) . .
O130 Ni5 C130 C131 -155(9) . .
N520 Ni5 C130 C131 54(7) . .
N510 Ni5 C130 C131 60(7) . .
O260 Ni5 C130 C131 -48(7) . .
O120 Ni5 C130 C131 144(7) . .
C510 Ni5 C130 C131 116(15) . .
O130 C130 C131 C132 164(4) . .
N130 C130 C131 C132 0.0 . .
Ni5 C130 C131 C132 -47(7) . .
C130 C131 C132 C133 0.0 . .
C131 C132 C133 C134 0.0 . .
C132 C133 C134 N130 0.0 . .
C132 C133 C134 Cl13 167(3) . .
C130 N130 C134 C133 0.0 . .
Ni5 N130 C134 C133 154(4) . .
C130 N130 C134 Cl13 -166(3) . .
Ni5 N130 C134 Cl13 -12(4) . .
C133 C134 Cl13 Cl14 -48(3) . 2
N130 C134 Cl13 Cl14 119(2) . 2
N130 Ni5 N510 C510 55(47) . .
O210 Ni5 N510 C510 165.9(13) . .
O103 Ni5 N510 C510 -29(3) . .
O130 Ni5 N510 C510 -12.8(13) . .
N520 Ni5 N510 C510 170(4) . .
O260 Ni5 N510 C510 74.3(13) . .
O120 Ni5 N510 C510 -93.8(13) . .
C130 Ni5 N510 C510 7(3) . .
N130 Ni5 N510 C514 -109(47) . .
O210 Ni5 N510 C514 2(4) . .
O103 Ni5 N510 C514 167(3) . .
O130 Ni5 N510 C514 -177(4) . .
N520 Ni5 N510 C514 6(3) . .
O260 Ni5 N510 C514 -90(4) . .
O120 Ni5 N510 C514 102(3) . .
C130 Ni5 N510 C514 -156(5) . .
C510 Ni5 N510 C514 -164(3) . .
C514 N510 C510 C511 0.0 . .
Ni5 N510 C510 C511 -171.8(16) . .
C514 N510 C510 O130 -169(3) . .
Ni5 N510 C510 O130 19.6(19) . .
C514 N510 C510 Ni5 171.8(16) . .
C130 O130 C510 C511 91(21) . .
Ni8 O130 C510 C511 -84.4(18) . .
Ni5 O130 C510 C511 172.0(17) . .
Ni9 O130 C510 C511 39(3) . .
C130 O130 C510 N510 -101(21) . .
Ni8 O130 C510 N510 84(2) . .
Ni5 O130 C510 N510 -20(2) . .
Ni9 O130 C510 N510 -153.1(13) . .
C130 O130 C510 Ni5 -81(21) . .
Ni8 O130 C510 Ni5 103.6(7) . .
Ni9 O130 C510 Ni5 -133.0(15) . .
N130 Ni5 C510 C511 87(11) . .
O210 Ni5 C510 C511 72(11) . .
O103 Ni5 C510 C511 -98(11) . .
O130 Ni5 C510 C511 -110(11) . .
N520 Ni5 C510 C511 88(11) . .
N510 Ni5 C510 C511 91(11) . .
O260 Ni5 C510 C511 -11(11) . .
O120 Ni5 C510 C511 -179(100) . .
C130 Ni5 C510 C511 -26(11) . .
N130 Ni5 C510 N510 -4(3) . .
O210 Ni5 C510 N510 -19.4(18) . .
O103 Ni5 C510 N510 171.0(11) . .
O130 Ni5 C510 N510 159(2) . .
N520 Ni5 C510 N510 -3.4(14) . .
O260 Ni5 C510 N510 -102.2(12) . .
O120 Ni5 C510 N510 89.7(12) . .
C130 Ni5 C510 N510 -118(12) . .
N130 Ni5 C510 O130 -163(4) . .
O210 Ni5 C510 O130 -178.3(6) . .
O103 Ni5 C510 O130 12(2) . .
N520 Ni5 C510 O130 -162(2) . .
N510 Ni5 C510 O130 -159(2) . .
O260 Ni5 C510 O130 98.9(13) . .
O120 Ni5 C510 O130 -69.2(13) . .
C130 Ni5 C510 O130 83(12) . .
N510 C510 C511 C512 0.0 . .
O130 C510 C511 C512 167(3) . .
Ni5 C510 C511 C512 -87(11) . .
C510 C511 C512 C513 0.0 . .
C511 C512 C513 C514 0.0 . .
C512 C513 C514 N510 0.0 . .
C512 C513 C514 Cl51 173(3) . .
C510 N510 C514 C513 0.0 . .
Ni5 N510 C514 C513 161(3) . .
C510 N510 C514 Cl51 -173(3) . .
Ni5 N510 C514 Cl51 -12(5) . .
N130 Ni5 N520 C520 47(12) . .
O210 Ni5 N520 C520 -146(11) . .
O103 Ni5 N520 C520 -75(15) . .
O130 Ni5 N520 C520 36(10) . .
N510 Ni5 N520 C520 38(10) . .
O260 Ni5 N520 C520 122(10) . .
O120 Ni5 N520 C520 -47(11) . .
C130 Ni5 N520 C520 52(11) . .
C510 Ni5 N520 C520 46(10) . .
Ni5 N520 C520 C521 167(32) . .
C500 O140 C140 C141 53(7) . .
Ni4 O140 C140 C141 -138.0(17) . .
Ni6 O140 C140 C141 -18(3) . .
C500 O140 C140 N140 -125(9) . .
Ni4 O140 C140 N140 45(2) . .
Ni6 O140 C140 N140 164.3(11) . .
C144 N140 C140 O140 -177.2(16) . .
C144 N140 C140 C141 5(3) . .
O140 C140 C141 C142 -179.9(18) . .
N140 C140 C141 C142 -2(3) . .
C140 C141 C142 C143 0(3) . .
C141 C142 C143 C144 -1(3) . .
C142 C143 C144 N140 4(3) . .
C142 C143 C144 Cl14 177.2(16) . .
C140 N140 C144 C143 -6(3) . .
C140 N140 C144 Cl14 -179.9(15) . .
Cl13 Cl14 C144 C143 -23(2) 2_545 .
Cl13 Cl14 C144 N140 151.0(13) 2_545 .
C140 O140 C500 N500 -10(5) . .
Ni4 O140 C500 N500 -24(6) . .
Ni6 O140 C500 N500 114(3) . .
C140 O140 C500 C501 162(12) . .
Ni4 O140 C500 C501 147(3) . .
Ni6 O140 C500 C501 -75(5) . .
C504 N500 C500 O140 177(4) . .
C504 N500 C500 C501 5(6) . .
O140 C500 C501 C502 -174(4) . .
N500 C500 C501 C502 -2(6) . .
C500 C501 C502 C503 -5(5) . .
C501 C502 C503 C504 11(6) . .
C502 C503 C504 N500 -9(6) . .
C502 C503 C504 Cl50 177(3) . .
C500 N500 C504 C503 1(6) . .
C500 N500 C504 Cl50 175(3) . .
Ni8 O150 C150 N150 160.0(7) . .
Ni7 O150 C150 N150 3.9(9) . .
Ni8 O150 C150 C151 -20.6(17) . .
Ni7 O150 C150 C151 -176.6(10) . .
C154 N150 C150 O150 177.2(10) . .
Ni7 N150 C150 O150 -3.8(9) . .
C154 N150 C150 C151 -2.3(16) . .
Ni7 N150 C150 C151 176.7(10) . .
O150 C150 C151 C152 -176.0(11) . .
N150 C150 C151 C152 3.4(17) . .
C150 C151 C152 C153 -1.7(19) . .
C151 C152 C153 C154 -1(2) . .
C150 N150 C154 C153 -0.6(19) . .
Ni7 N150 C154 C153 -178.6(11) . .
C150 N150 C154 Cl15 -179.9(9) . .
Ni7 N150 C154 Cl15 2(2) . .
C152 C153 C154 N150 2(2) . .
C152 C153 C154 Cl15 -178.6(10) . .
Ni2 O161 C160 O160 0.9(17) . .
Ni2 O161 C160 C161 178.4(8) . .
Ni1 O160 C160 O161 -6.8(17) . .
Ni1 O160 C160 C161 175.6(8) . .
O161 C160 C161 C162 -81.2(16) . .
O160 C160 C161 C162 96.5(15) . .
O161 C160 C161 C164 46.1(17) . .
O160 C160 C161 C164 -136.3(14) . .
O161 C160 C161 C163 158.8(12) . .
O160 C160 C161 C163 -23.5(16) . .
Ni9 O171 C170 O170 -12.1(18) . .
Ni9 O171 C170 C171 170.0(8) . .
Ni1 O170 C170 O171 15.2(17) . .
Ni1 O170 C170 C171 -166.9(8) . .
O171 C170 C171 C173 -126.9(13) . .
O170 C170 C171 C173 55.1(16) . .
O171 C170 C171 C174 -5.6(19) . .
O170 C170 C171 C174 176.3(13) . .
O171 C170 C171 C172 113.9(12) . .
O170 C170 C171 C172 -64.1(15) . .
Ni3 O181 C180 O180 -7.3(17) . .
Ni3 O181 C180 C181 171.6(8) . .
Ni2 O180 C180 O181 14.7(17) . .
Ni2 O180 C180 C181 -164.2(8) . .
O181 C180 C181 C183 114.7(12) . .
O180 C180 C181 C183 -66.3(15) . .
O181 C180 C181 C182 -4.3(17) . .
O180 C180 C181 C182 174.7(11) . .
O181 C180 C181 C184 -125.1(12) . .
O180 C180 C181 C184 53.9(14) . .
Ni3 O190 C190 O191 1.3(15) . .
Ni3 O190 C190 C191 178.4(7) . .
Ni4 O191 C190 O190 -7.4(14) . .
Ni4 O191 C190 C191 175.5(6) . .
O190 C190 C191 C193 125.3(12) . .
O191 C190 C191 C193 -57.3(13) . .
O190 C190 C191 C194 5.6(14) . .
O191 C190 C191 C194 -177.0(9) . .
O190 C190 C191 C192 -111.6(12) . .
O191 C190 C191 C192 65.8(13) . .
Ni7 O201 C200 O200 -24.3(15) . .
Ni7 O201 C200 C201 158.6(6) . .
Ni4 O200 C200 O201 -22.3(14) . .
Ni4 O200 C200 C201 154.9(6) . .
O201 C200 C201 C206 -108.8(12) . .
O200 C200 C201 C206 73.9(12) . .
O201 C200 C201 C205 11.6(13) . .
O200 C200 C201 C205 -165.7(12) . .
O201 C200 C201 C203 -142.0(11) . .
O200 C200 C201 C203 40.6(11) . .
O201 C200 C201 C204 98.1(11) . .
O200 C200 C201 C204 -79.3(11) . .
O201 C200 C201 C202 -21.8(12) . .
O200 C200 C201 C202 160.8(10) . .
O201 C200 C201 C207 131.3(12) . .
O200 C200 C201 C207 -46.1(12) . .
Ni5 O210 C210 O211 6.2(19) . .
Ni5 O210 C210 C211 -168.3(8) . .
Ni6 O211 C210 O210 -0.9(19) . .
Ni6 O211 C210 C211 173.8(8) . .
O210 C210 C211 C214 -179(2) . .
O211 C210 C211 C214 6(2) . .
O210 C210 C211 C212 -30.1(18) . .
O211 C210 C211 C212 155.0(12) . .
O210 C210 C211 C215 115.4(19) . .
O211 C210 C211 C215 -59(2) . .
O210 C210 C211 C216 -135.9(16) . .
O211 C210 C211 C216 49.2(17) . .
O210 C210 C211 C213 72.7(18) . .
O211 C210 C211 C213 -102.2(17) . .
Ni6 O220 C220 O221 3.3(16) . .
Ni6 O220 C220 C221 -173.7(5) . .
Ni7 O221 C220 O220 24.7(16) . .
Ni7 O221 C220 C221 -158.3(6) . .
O220 C220 C221 C223 71.7(12) . .
O221 C220 C221 C223 -105.7(12) . .
O220 C220 C221 C227 -138.0(10) . .
O221 C220 C221 C227 44.6(12) . .
O220 C220 C221 C222 -165.0(11) . .
O221 C220 C221 C222 17.5(12) . .
O220 C220 C221 C226 -16.2(12) . .
O221 C220 C221 C226 166.4(11) . .
O220 C220 C221 C225 102.6(11) . .
O221 C220 C221 C225 -74.8(12) . .
O220 C220 C221 C224 -46.6(12) . .
O221 C220 C221 C224 136.0(12) . .
Ni8 O230 C230 O231 6.0(15) . .
Ni8 O230 C230 C231 -174.7(7) . .
Ni9 O231 C230 O230 -2.7(15) . .
Ni9 O231 C230 C231 178.0(7) . .
O230 C230 C231 C234 -7.7(14) . .
O231 C230 C231 C234 171.6(9) . .
O230 C230 C231 C232 -131.1(11) . .
O231 C230 C231 C232 48.2(13) . .
O230 C230 C231 C233 111.7(11) . .
O231 C230 C231 C233 -68.9(12) . .
Ni1 O240 C240 O241 -16(2) . .
Ni1 O240 C240 C241 -173.2(12) . .
Ni1 O240 C240 O242 60.2(15) . .
O240 C240 C241 C243 -137.4(17) . .
O241 C240 C241 C243 62.4(18) . .
O242 C240 C241 C243 -18(2) . .
O240 C240 C241 C244 100(2) . .
O241 C240 C241 C244 -60.0(18) . .
O242 C240 C241 C244 -140.4(16) . .
O240 C240 C241 C242 -15(2) . .
O241 C240 C241 C242 -175.7(14) . .
O242 C240 C241 C242 103.9(16) . .
Ni2 O250 C250 O251 21.4(17) . .
Ni2 O250 C250 C251 -160.9(9) . .
O250 C250 C251 C253 -70.9(17) . .
O251 C250 C251 C253 107.1(14) . .
O250 C250 C251 C254 164.8(13) . .
O251 C250 C251 C254 -17.3(17) . .
O250 C250 C251 C252 45.3(16) . .
O251 C250 C251 C252 -136.8(12) . .
