#------------------------------------------------------------------------------
#$Date: 2019-11-17 12:20:27 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229836 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/56/7045649.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_7045649
loop_
_publ_author_name
'Maser, Leon'
'Herritsch, Jan'
'Langer, Robert'
_publ_section_title
;
 Carbodiphosphorane-based nickel pincer complexes and their (de)protonated
 analogues: dimerisation, ligand tautomers and proton affinities.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10544
_journal_page_last               10552
_journal_paper_doi               10.1039/c7dt04930g
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         '3(C102 H84 Ni2 P8), C4 H8 O, 1.5(C6 H14)'
_chemical_formula_sum            'C319 H281 Ni6 O P24'
_chemical_formula_weight         5225.96
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2018-01-31
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2018-01-31 deposited with the CCDC.
2018-02-15 downloaded from the CCDC.
;
_cell_angle_alpha                91.13(3)
_cell_angle_beta                 97.92(3)
_cell_angle_gamma                119.53(3)
_cell_formula_units_Z            1
_cell_length_a                   14.102(3)
_cell_length_b                   14.186(3)
_cell_length_c                   39.126(8)
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.0
_cell_volume                     6710(3)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'image plate'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  IPDS2
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0695
_diffrn_reflns_av_unetI/netI     0.1364
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            80180
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.772
_diffrn_reflns_theta_min         1.585
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.613
_exptl_absorpt_correction_T_max  0.9574
_exptl_absorpt_correction_T_min  0.8758
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.293
_exptl_crystal_description       plate
_exptl_crystal_F_000             2731
_exptl_crystal_size_max          0.189
_exptl_crystal_size_mid          0.178
_exptl_crystal_size_min          0.071
_refine_diff_density_max         1.045
_refine_diff_density_min         -0.564
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.842
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1584
_refine_ls_number_reflns         28059
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.842
_refine_ls_R_factor_all          0.1491
_refine_ls_R_factor_gt           0.0536
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0566P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1378
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13130
_reflns_number_total             28059
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt04930g2.cif
_cod_data_source_block           abskorr
_cod_depositor_comments
'Adding full bibliography for 7045645--7045649.cif.'
_cod_database_code               7045649
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C04X) = Uanis(C04V) = Uanis(C04Z) = Uanis(O04Q) = Uanis(C04Y)
Uanis(C9) = Uanis(C7) = Uanis(C6) = Uanis(C8) = Uanis(C10) = Uanis(C11)
3. Others
 Fixed Sof: O04Q(0.5) C04V(0.5) H04P(0.5) H04Q(0.5) C04X(0.5) H04R(0.5)
 H04S(0.5) C04Y(0.5) H04T(0.5) H04U(0.5) C04Z(0.5) H04V(0.5) H04W(0.5) C6(0.75)
 H6A(0.75) H6B(0.75) C7(0.75) H7A(0.75) H7B(0.75) C8(0.75) H8A(0.75) H8B(0.75)
 C9(0.75) H9A(0.75) H9B(0.75) H9C(0.75) C10(0.75) H10A(0.75) H10B(0.75)
 C11(0.75) H11A(0.75) H11B(0.75) H11C(0.75)
4.a Secondary CH2 refined with riding coordinates:
 C04V(H04P,H04Q), C04X(H04R,H04S), C04Y(H04T,H04U), C04Z(H04V,H04W), C6(H6A,
 H6B), C7(H7A,H7B), C8(H8A,H8B), C10(H10A,H10B)
4.b Aromatic/amide H refined with riding coordinates:
 C00N(H00N), C00U(H00U), C00V(H00V), C00Y(H00Y), C010(H010), C011(H011),
 C014(H014), C015(H015), C017(H017), C018(H018), C01C(H01C), C01D(H01D),
 C01E(H01E), C01F(H01F), C01G(H01G), C01H(H01H), C01I(H01I), C01J(H01J),
 C01K(H01K), C01M(H01M), C01O(H01O), C01P(H01P), C01R(H01R), C01S(H01S),
 C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W), C01Y(H01Y), C01Z(H01Z),
 C022(H022), C023(H023), C024(H024), C025(H025), C026(H026), C027(H027),
 C028(H028), C029(H029), C02A(H02A), C02B(H02B), C02C(H02C), C02D(H02D),
 C02E(H02E), C02I(H02I), C02J(H02J), C02K(H02K), C02L(H02L), C02M(H02M),
 C02N(H02N), C02O(H02O), C02P(H02P), C02Q(H02Q), C02R(H02R), C02S(H02S),
 C02T(H02T), C02U(H02U), C02V(H02V), C02W(H02W), C02X(H02X), C02Y(H02Y),
 C02Z(H02Z), C030(H030), C031(H031), C032(H032), C033(H033), C034(H034),
 C035(H035), C036(H036), C037(H037), C038(H038), C039(H039), C03A(H03A),
 C03B(H03B), C03C(H03C), C03D(H03D), C03E(H03E), C03F(H03F), C03G(H03G),
 C03H(H03H), C03I(H03I), C03J(H03J), C03K(H03K), C03L(H03L), C03M(H03M),
 C03N(H03N), C03P(H03P), C03Q(H03Q), C03R(H03R), C03S(H03S), C03T(H03T),
 C03U(H03U), C03V(H03V), C03W(H03W), C03X(H03X), C03Y(H03Y), C03Z(H03Z),
 C040(H040), C041(H041), C042(H042), C043(H043), C044(H044), C045(H045),
 C046(H046), C047(H047), C048(H048), C04A(H04A), C04B(H04B), C04C(H04C),
 C04D(H04D), C04E(H04E), C04F(H04F), C04G(H04G), C04H(H04H), C04I(H04I),
 C04J(H04J), C04K(H04K), C04L(H04L), C04M(H04M), C04N(H04N), C04O(H04O)
4.c Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C11(H11A,H11B,H11C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni01 Ni 0.12528(5) 0.14366(5) 0.48284(2) 0.03845(14) Uani 1 1 d . . . .
Ni02 Ni 0.23159(5) 0.65772(5) 0.20758(2) 0.04313(15) Uani 1 1 d . . . .
Ni03 Ni 0.40412(5) 0.85767(5) 0.13499(2) 0.04626(16) Uani 1 1 d . . . .
P004 P 0.01737(10) 0.08494(9) 0.42061(3) 0.0396(3) Uani 1 1 d . . . .
P005 P 0.29283(10) 0.28433(9) 0.49675(3) 0.0400(3) Uani 1 1 d . . . .
P006 P -0.06006(10) -0.11764(9) 0.46816(3) 0.0400(3) Uani 1 1 d . . . .
P007 P 0.28013(9) 0.23274(10) 0.42504(3) 0.0400(3) Uani 1 1 d . . . .
P008 P 0.09313(10) 0.48911(10) 0.20792(3) 0.0448(3) Uani 1 1 d . . . .
P009 P 0.07524(10) 0.59942(10) 0.26579(3) 0.0445(3) Uani 1 1 d . . . .
P00A P 0.33210(10) 0.89343(10) 0.17654(3) 0.0451(3) Uani 1 1 d . . . .
P00B P 0.54997(11) 0.79295(10) 0.13884(3) 0.0459(3) Uani 1 1 d . . . .
P00C P 0.27908(10) 0.82197(10) 0.25307(3) 0.0440(3) Uani 1 1 d . . . .
P00D P 0.33606(10) 0.63897(10) 0.17426(3) 0.0441(3) Uani 1 1 d . . . .
P00E P 0.37001(12) 0.93669(12) 0.09029(4) 0.0546(4) Uani 1 1 d . . . .
P00F P 0.53927(12) 0.90568(11) 0.07107(4) 0.0523(3) Uani 1 1 d . . . .
C00G C -0.0500(4) 0.1674(4) 0.41657(11) 0.0404(11) Uani 1 1 d . . . .
C00H C 0.3866(4) 0.2596(4) 0.52749(12) 0.0414(11) Uani 1 1 d . . . .
C00I C -0.0254(4) 0.0188(4) 0.45848(11) 0.0391(10) Uani 1 1 d . . . .
C00J C 0.5757(4) 0.6830(4) 0.12645(13) 0.0458(12) Uani 1 1 d . . . .
C00K C 0.2378(4) 0.9223(4) 0.26206(12) 0.0439(11) Uani 1 1 d . . . .
C00L C 0.1522(3) 0.1482(3) 0.43521(11) 0.0375(10) Uani 1 1 d . . . .
C00M C 0.3547(4) 0.3216(4) 0.46009(12) 0.0425(11) Uani 1 1 d . . . .
C00N C 0.2976(4) 1.0140(4) 0.28604(13) 0.0501(12) Uani 1 1 d . . . .
H00N H 0.3672 1.0294 0.2985 0.060 Uiso 1 1 calc R . . .
C00O C -0.1409(4) -0.2071(4) 0.42787(12) 0.0424(11) Uani 1 1 d . . . .
C00P C 0.2806(4) 0.3025(4) 0.38627(12) 0.0423(11) Uani 1 1 d . . . .
C00Q C 0.1113(4) 0.6153(4) 0.31300(12) 0.0453(11) Uani 1 1 d . . . .
C00R C 0.1148(4) 0.3725(4) 0.20240(13) 0.0455(12) Uani 1 1 d . . . .
C00S C -0.0463(4) 0.6177(4) 0.25958(12) 0.0456(11) Uani 1 1 d . . . .
C00T C 0.3467(4) 0.1552(4) 0.41384(12) 0.0412(11) Uani 1 1 d . . . .
C00U C -0.2282(4) -0.1984(4) 0.41043(13) 0.0495(12) Uani 1 1 d . . . .
H00U H -0.2444 -0.1460 0.4193 0.059 Uiso 1 1 calc R . . .
C00V C 0.1044(4) 0.7665(4) 0.16054(12) 0.0474(12) Uani 1 1 d . . . .
H00V H 0.1166 0.7082 0.1664 0.057 Uiso 1 1 calc R . . .
C00W C -0.0304(4) 0.0070(3) 0.37780(11) 0.0397(10) Uani 1 1 d . . . .
C00X C 0.0584(4) -0.1398(4) 0.47399(12) 0.0412(11) Uani 1 1 d . . . .
C00Y C 0.2020(4) 0.2568(4) 0.35675(12) 0.0445(11) Uani 1 1 d . . . .
H00Y H 0.1429 0.1842 0.3559 0.053 Uiso 1 1 calc R . . .
C00Z C 0.3305(4) 0.8208(4) 0.21403(13) 0.0438(11) Uani 1 1 d . . . .
C010 C 0.3604(4) 0.1520(4) 0.53024(12) 0.0475(12) Uani 1 1 d . . . .
H010 H 0.2912 0.0944 0.5187 0.057 Uiso 1 1 calc R . . .
C011 C -0.1635(4) 0.1223(4) 0.41445(12) 0.0485(12) Uani 1 1 d . . . .
H011 H -0.2085 0.0460 0.4150 0.058 Uiso 1 1 calc R . . .
C012 C -0.0236(4) 0.4530(4) 0.17194(12) 0.0454(11) Uani 1 1 d . . . .
C013 C 0.4471(4) 0.7668(4) 0.16549(14) 0.0444(11) Uani 1 1 d . . . .
C014 C -0.0206(4) -0.1189(4) 0.33893(14) 0.0584(14) Uani 1 1 d . . . .
H014 H 0.0056 -0.1674 0.3347 0.070 Uiso 1 1 calc R . . .
C015 C 0.2070(4) 0.3144(4) 0.32808(13) 0.0486(12) Uani 1 1 d . . . .
H015 H 0.1516 0.2810 0.3080 0.058 Uiso 1 1 calc R . . .
C016 C 0.2985(4) 0.4070(4) 0.51554(13) 0.0439(11) Uani 1 1 d . . . .
C017 C 0.4886(4) 0.3417(4) 0.54393(13) 0.0539(13) Uani 1 1 d . . . .
H017 H 0.5088 0.4155 0.5416 0.065 Uiso 1 1 calc R . . .
C018 C 0.1285(4) 0.7083(4) 0.33250(13) 0.0497(12) Uani 1 1 d . . . .
H018 H 0.1196 0.7624 0.3209 0.060 Uiso 1 1 calc R . . .
C019 C 0.4234(4) 1.0351(4) 0.19504(12) 0.0457(11) Uani 1 1 d . . . .
C01A C 0.3527(5) 1.0545(5) 0.09811(14) 0.0565(14) Uani 1 1 d . . . .
C01B C 0.4059(4) 0.5771(4) 0.20047(13) 0.0453(11) Uani 1 1 d . . . .
C01C C -0.0729(4) 0.6463(4) 0.22767(13) 0.0514(12) Uani 1 1 d . . . .
H01C H -0.0295 0.6543 0.2102 0.062 Uiso 1 1 calc R . . .
C01D C 0.2374(4) -0.1081(4) 0.46471(13) 0.0501(12) Uani 1 1 d . . . .
H01D H 0.3028 -0.0671 0.4552 0.060 Uiso 1 1 calc R . . .
C01E C 0.0141(4) 0.2790(4) 0.41589(13) 0.0530(13) Uani 1 1 d . . . .
H01E H 0.0920 0.3118 0.4174 0.064 Uiso 1 1 calc R . . .
C01F C 0.3567(4) 0.0215(4) 0.37744(14) 0.0540(13) Uani 1 1 d . . . .
H01F H 0.3282 -0.0293 0.3574 0.065 Uiso 1 1 calc R . . .
C01G C 0.4370(4) 0.1665(4) 0.43604(13) 0.0498(12) Uani 1 1 d . . . .
H01G H 0.4653 0.2156 0.4565 0.060 Uiso 1 1 calc R . . .
C01H C 0.1376(4) 0.9025(4) 0.24393(13) 0.0509(12) Uani 1 1 d . . . .
H01H H 0.0958 0.8402 0.2275 0.061 Uiso 1 1 calc R . . .
C01I C 0.1555(4) -0.0792(4) 0.46083(12) 0.0450(11) Uani 1 1 d . . . .
H01I H 0.1661 -0.0176 0.4491 0.054 Uiso 1 1 calc R . . .
C01J C 0.4876(4) 0.1070(4) 0.42893(14) 0.0518(13) Uani 1 1 d . . . .
H01J H 0.5506 0.1167 0.4444 0.062 Uiso 1 1 calc R . . .
C01K C 0.2570(5) 1.0835(4) 0.29200(14) 0.0578(14) Uani 1 1 d . . . .
H01K H 0.2982 1.1454 0.3086 0.069 Uiso 1 1 calc R . . .
C01L C 0.2707(4) 0.5558(4) 0.13288(13) 0.0479(12) Uani 1 1 d . . . .
C01M C -0.1188(4) -0.2849(4) 0.41439(13) 0.0509(12) Uani 1 1 d . . . .
H01M H -0.0595 -0.2924 0.4260 0.061 Uiso 1 1 calc R . . .
C01N C 0.3969(4) 0.8563(4) 0.28711(12) 0.0453(11) Uani 1 1 d . . . .
C01O C -0.1124(4) 0.6040(4) 0.28452(13) 0.0518(12) Uani 1 1 d . . . .
H01O H -0.0957 0.5839 0.3066 0.062 Uiso 1 1 calc R . . .
C01P C -0.1003(4) 0.0174(4) 0.35159(13) 0.0502(12) Uani 1 1 d . . . .
H01P H -0.1285 0.0643 0.3558 0.060 Uiso 1 1 calc R . . .
C01Q C 0.0474(4) 0.4770(4) 0.24760(12) 0.0460(11) Uani 1 1 d . . . .
C01R C 0.4206(4) 0.5973(4) 0.23617(13) 0.0510(13) Uani 1 1 d . . . .
H01R H 0.3948 0.6408 0.2457 0.061 Uiso 1 1 calc R . . .
C01S C -0.1614(4) 0.6632(4) 0.22079(14) 0.0550(13) Uani 1 1 d . . . .
H01S H -0.1792 0.6824 0.1987 0.066 Uiso 1 1 calc R . . .
C01T C 0.4490(4) 0.5166(4) 0.18691(13) 0.0487(12) Uani 1 1 d . . . .
H01T H 0.4445 0.5061 0.1626 0.058 Uiso 1 1 calc R . . .
C01U C 0.0968(4) 0.9718(4) 0.24926(14) 0.0558(13) Uani 1 1 d . . . .
H01U H 0.0282 0.9575 0.2363 0.067 Uiso 1 1 calc R . . .
C01V C 0.2393(4) 0.4463(4) 0.12811(14) 0.0535(13) Uani 1 1 d . . . .
H01V H 0.2586 0.4134 0.1467 0.064 Uiso 1 1 calc R . . .
C01W C 0.4972(4) 0.6037(4) 0.10065(13) 0.0523(13) Uani 1 1 d . . . .
H01W H 0.4384 0.6121 0.0891 0.063 Uiso 1 1 calc R . . .
C01X C 0.1771(4) 0.6944(4) 0.24574(12) 0.0445(11) Uani 1 1 d . . . .
C01Y C 0.4982(4) 0.4721(4) 0.20923(14) 0.0537(13) Uani 1 1 d . . . .
H01Y H 0.5243 0.4284 0.2000 0.064 Uiso 1 1 calc R . . .
C01Z C 0.1630(4) 0.2057(4) 0.19705(15) 0.0583(14) Uani 1 1 d . . . .
H01Z H 0.1803 0.1492 0.1952 0.070 Uiso 1 1 calc R . . .
C020 C 0.4971(4) 0.8380(4) 0.10638(12) 0.0448(11) Uani 1 1 d . . . .
C021 C 0.1946(4) 0.8742(4) 0.16487(12) 0.0482(12) Uani 1 1 d . . . .
C022 C 0.1863(4) 0.3634(4) 0.22816(13) 0.0497(12) Uani 1 1 d . . . .
H022 H 0.2188 0.4149 0.2481 0.060 Uiso 1 1 calc R . . .
C023 C 0.0665(4) 0.2948(4) 0.17377(14) 0.0529(13) Uani 1 1 d . . . .
H023 H 0.0169 0.2992 0.1557 0.064 Uiso 1 1 calc R . . .
C024 C 0.5365(4) 1.0767(4) 0.19536(13) 0.0541(13) Uani 1 1 d . . . .
H024 H 0.5599 1.0328 0.1846 0.065 Uiso 1 1 calc R . . .
C025 C 0.3062(4) 0.0814(4) 0.38382(13) 0.0498(12) Uani 1 1 d . . . .
H025 H 0.2443 0.0726 0.3679 0.060 Uiso 1 1 calc R . . .
C026 C 0.0472(4) -0.2271(4) 0.49249(13) 0.0496(12) Uani 1 1 d . . . .
H026 H -0.0167 -0.2670 0.5028 0.060 Uiso 1 1 calc R . . .
C027 C 0.2116(4) 0.2821(4) 0.22568(14) 0.0552(13) Uani 1 1 d . . . .
H027 H 0.2622 0.2782 0.2435 0.066 Uiso 1 1 calc R . . .
C028 C 0.4478(4) 0.0352(4) 0.39998(14) 0.0513(13) Uani 1 1 d . . . .
H028 H 0.4826 -0.0054 0.3953 0.062 Uiso 1 1 calc R . . .
C029 C -0.0882(4) -0.1073(4) 0.31311(14) 0.0591(14) Uani 1 1 d . . . .
H029 H -0.1066 -0.1458 0.2909 0.071 Uiso 1 1 calc R . . .
C02A C 0.3321(4) 0.4490(4) 0.55023(13) 0.0487(12) Uani 1 1 d . . . .
H02A H 0.3559 0.4135 0.5667 0.058 Uiso 1 1 calc R . . .
C02B C 0.6636(4) 0.6727(4) 0.14163(14) 0.0535(13) Uani 1 1 d . . . .
H02B H 0.7198 0.7281 0.1585 0.064 Uiso 1 1 calc R . . .
C02C C 0.2238(4) -0.1957(4) 0.48227(13) 0.0531(13) Uani 1 1 d . . . .
H02C H 0.2800 -0.2149 0.4851 0.064 Uiso 1 1 calc R . . .
C02D C 0.0106(4) -0.0614(4) 0.37117(13) 0.0477(12) Uani 1 1 d . . . .
H02D H 0.0598 -0.0685 0.3887 0.057 Uiso 1 1 calc R . . .
C02E C 0.2379(4) 0.6000(4) 0.10478(13) 0.0539(13) Uani 1 1 d . . . .
H02E H 0.2570 0.6743 0.1073 0.065 Uiso 1 1 calc R . . .
C02F C 0.4998(4) 0.8117(4) 0.03248(13) 0.0546(13) Uani 1 1 d . . . .
C02G C 0.6877(4) 0.9851(4) 0.07412(13) 0.0559(13) Uani 1 1 d . . . .
C02H C 0.6755(4) 0.8914(4) 0.16824(13) 0.0494(12) Uani 1 1 d . . . .
C02I C 0.1725(4) 0.9557(4) 0.15467(12) 0.0506(12) Uani 1 1 d . . . .
H02I H 0.2318 1.0286 0.1564 0.061 Uiso 1 1 calc R . . .
C02J C 0.1260(4) 0.5381(4) 0.33022(13) 0.0512(12) Uani 1 1 d . . . .
H02J H 0.1142 0.4744 0.3175 0.061 Uiso 1 1 calc R . . .
C02K C 0.2634(4) 0.4612(4) 0.49228(15) 0.0606(14) Uani 1 1 d . . . .
H02K H 0.2402 0.4341 0.4684 0.073 Uiso 1 1 calc R . . .
C02L C 0.1579(4) 0.7223(4) 0.36807(14) 0.0551(13) Uani 1 1 d . . . .
H02L H 0.1685 0.7854 0.3809 0.066 Uiso 1 1 calc R . . .
C02M C 0.5534(5) 0.8403(5) 0.00346(14) 0.0592(14) Uani 1 1 d . . . .
H02M H 0.6183 0.9092 0.0045 0.071 Uiso 1 1 calc R . . .
C02N C 0.3926(4) 1.1006(4) 0.21199(12) 0.0504(12) Uani 1 1 d . . . .
H02N H 0.3169 1.0737 0.2133 0.061 Uiso 1 1 calc R . . .
C02O C 0.4709(5) 1.2041(4) 0.22696(14) 0.0574(14) Uani 1 1 d . . . .
H02O H 0.4479 1.2482 0.2377 0.069 Uiso 1 1 calc R . . .
C02P C -0.1313(4) 0.4046(4) 0.17842(14) 0.0579(14) Uani 1 1 d . . . .
H02P H -0.1444 0.3927 0.2015 0.069 Uiso 1 1 calc R . . .
C02Q C -0.0005(4) 0.7453(4) 0.14799(13) 0.0542(13) Uani 1 1 d . . . .
H02Q H -0.0602 0.6725 0.1457 0.065 Uiso 1 1 calc R . . .
C02R C 0.1565(5) 1.0619(4) 0.27357(14) 0.0544(13) Uani 1 1 d . . . .
H02R H 0.1281 1.1089 0.2776 0.065 Uiso 1 1 calc R . . .
C02S C 0.7099(5) 0.8620(5) 0.19904(14) 0.0591(14) Uani 1 1 d . . . .
H02S H 0.6722 0.7884 0.2042 0.071 Uiso 1 1 calc R . . .
C02T C 0.4988(4) 0.9505(4) 0.28811(14) 0.0543(13) Uani 1 1 d . . . .
H02T H 0.5070 1.0006 0.2714 0.065 Uiso 1 1 calc R . . .
C02U C -0.0074(4) 0.4733(4) 0.13848(13) 0.0527(13) Uani 1 1 d . . . .
H02U H 0.0658 0.5086 0.1335 0.063 Uiso 1 1 calc R . . .
C02V C -0.1298(4) -0.0403(4) 0.31912(14) 0.0596(14) Uani 1 1 d . . . .
H02V H -0.1782 -0.0333 0.3013 0.071 Uiso 1 1 calc R . . .
C02W C 0.0900(5) 0.2110(4) 0.17137(14) 0.0602(14) Uani 1 1 d . . . .
H02W H 0.0556 0.1575 0.1519 0.072 Uiso 1 1 calc R . . .
C02X C 0.3311(4) 0.5430(4) 0.56102(14) 0.0568(14) Uani 1 1 d . . . .
H02X H 0.3549 0.5715 0.5847 0.068 Uiso 1 1 calc R . . .
C02Y C 0.1278(4) -0.2559(4) 0.49587(13) 0.0548(13) Uani 1 1 d . . . .
H02Y H 0.1177 -0.3174 0.5076 0.066 Uiso 1 1 calc R . . .
C02Z C 0.0665(4) 0.9330(4) 0.14214(13) 0.0555(13) Uani 1 1 d . . . .
H02Z H 0.0537 0.9907 0.1359 0.067 Uiso 1 1 calc R . . .
C030 C 0.4343(4) 0.1285(4) 0.54965(14) 0.0535(13) Uani 1 1 d . . . .
H030 H 0.4155 0.0547 0.5511 0.064 Uiso 1 1 calc R . . .
C031 C 0.5097(4) 0.4909(4) 0.24470(14) 0.0557(13) Uani 1 1 d . . . .
H031 H 0.5431 0.4598 0.2598 0.067 Uiso 1 1 calc R . . .
C032 C -0.1827(4) -0.3511(4) 0.38422(14) 0.0583(14) Uani 1 1 d . . . .
H032 H -0.1667 -0.4034 0.3752 0.070 Uiso 1 1 calc R . . .
C033 C -0.2020(4) 0.6195(4) 0.27727(14) 0.0574(14) Uani 1 1 d . . . .
H033 H -0.2485 0.6072 0.2941 0.069 Uiso 1 1 calc R . . .
C034 C -0.2245(4) 0.6524(4) 0.24608(14) 0.0568(13) Uani 1 1 d . . . .
H034 H -0.2832 0.6677 0.2418 0.068 Uiso 1 1 calc R . . .
C035 C 0.2918(4) 0.4194(4) 0.32869(14) 0.0581(14) Uani 1 1 d . . . .
H035 H 0.2962 0.4585 0.3090 0.070 Uiso 1 1 calc R . . .
C036 C -0.2015(4) 0.3922(4) 0.11838(15) 0.0607(14) Uani 1 1 d . . . .
H036 H -0.2622 0.3696 0.1000 0.073 Uiso 1 1 calc R . . .
C037 C -0.2927(4) -0.2653(4) 0.38002(13) 0.0564(13) Uani 1 1 d . . . .
H037 H -0.3522 -0.2584 0.3682 0.068 Uiso 1 1 calc R . . .
C038 C 0.4038(5) 0.7102(5) 0.02946(14) 0.0602(14) Uani 1 1 d . . . .
H038 H 0.3651 0.6891 0.0485 0.072 Uiso 1 1 calc R . . .
C039 C -0.2694(5) -0.3415(4) 0.36722(14) 0.0637(15) Uani 1 1 d . . . .
H039 H -0.3132 -0.3875 0.3466 0.076 Uiso 1 1 calc R . . .
C03A C 0.1795(4) 0.5385(5) 0.07404(15) 0.0620(14) Uani 1 1 d . . . .
H03A H 0.1582 0.5701 0.0555 0.074 Uiso 1 1 calc R . . .
C03B C 0.2956(4) 0.5943(4) 0.53733(16) 0.0598(14) Uani 1 1 d . . . .
H03B H 0.2947 0.6580 0.5447 0.072 Uiso 1 1 calc R . . .
C03C C 0.1810(4) 0.3846(5) 0.09705(15) 0.0638(15) Uani 1 1 d . . . .
H03C H 0.1611 0.3101 0.0943 0.077 Uiso 1 1 calc R . . .
C03D C -0.0212(5) 0.8282(5) 0.13855(14) 0.0597(14) Uani 1 1 d . . . .
H03D H -0.0941 0.8128 0.1298 0.072 Uiso 1 1 calc R . . .
C03E C 0.3880(4) 0.7846(4) 0.31205(13) 0.0529(13) Uani 1 1 d . . . .
H03E H 0.3197 0.7193 0.3116 0.063 Uiso 1 1 calc R . . .
C03F C 0.5035(5) 0.5121(4) 0.09143(14) 0.0608(14) Uani 1 1 d . . . .
H03F H 0.4490 0.4577 0.0740 0.073 Uiso 1 1 calc R . . .
C03G C 0.5625(4) 0.3177(4) 0.56396(14) 0.0595(14) Uani 1 1 d . . . .
H03G H 0.6318 0.3751 0.5755 0.071 Uiso 1 1 calc R . . .
C03H C 0.5911(5) 0.5012(5) 0.10818(15) 0.0624(15) Uani 1 1 d . . . .
H03H H 0.5951 0.4379 0.1027 0.075 Uiso 1 1 calc R . . .
C03I C -0.1480(5) 0.2968(5) 0.41059(14) 0.0630(15) Uani 1 1 d . . . .
H03I H -0.1809 0.3413 0.4083 0.076 Uiso 1 1 calc R . . .
C03J C 0.4776(4) 0.8072(5) 0.33756(14) 0.0618(14) Uani 1 1 d . . . .
H03J H 0.4704 0.7578 0.3544 0.074 Uiso 1 1 calc R . . .
C03K C 0.4726(4) 0.5547(4) 0.25825(14) 0.0565(13) Uani 1 1 d . . . .
H03K H 0.4827 0.5696 0.2827 0.068 Uiso 1 1 calc R . . .
C03L C 0.3651(4) 0.4097(4) 0.38687(14) 0.0626(15) Uani 1 1 d . . . .
H03L H 0.4197 0.4438 0.4071 0.075 Uiso 1 1 calc R . . .
C03M C 0.1416(5) 0.7856(5) 0.07553(15) 0.0644(15) Uani 1 1 d . . . .
H03M H 0.1416 0.8041 0.0990 0.077 Uiso 1 1 calc R . . .
C03N C 0.6152(4) 1.1794(5) 0.21076(14) 0.0597(14) Uani 1 1 d . . . .
H03N H 0.6915 1.2055 0.2106 0.072 Uiso 1 1 calc R . . .
C03O C 0.2396(5) 0.8395(5) 0.06253(14) 0.0607(14) Uani 1 1 d . . . .
C03P C -0.0947(5) 0.4438(5) 0.11188(14) 0.0618(14) Uani 1 1 d . . . .
H03P H -0.0812 0.4592 0.0890 0.074 Uiso 1 1 calc R . . .
C03Q C 0.7296(4) 0.9997(4) 0.16248(14) 0.0580(14) Uani 1 1 d . . . .
H03Q H 0.7061 1.0214 0.1417 0.070 Uiso 1 1 calc R . . .
C03R C 0.1578(4) 0.5531(5) 0.36587(14) 0.0590(14) Uani 1 1 d . . . .
H03R H 0.1701 0.5008 0.3774 0.071 Uiso 1 1 calc R . . .
C03S C -0.0358(5) 0.3425(4) 0.41293(15) 0.0632(15) Uani 1 1 d . . . .
H03S H 0.0086 0.4189 0.4125 0.076 Uiso 1 1 calc R . . .
C03T C 0.1513(4) 0.4306(5) 0.06997(15) 0.0667(16) Uani 1 1 d . . . .
H03T H 0.1115 0.3879 0.0485 0.080 Uiso 1 1 calc R . . .
C03U C 0.7439(5) 1.0997(5) 0.07755(14) 0.0661(16) Uani 1 1 d . . . .
H03U H 0.7028 1.1364 0.0767 0.079 Uiso 1 1 calc R . . .
C03V C -0.2126(4) 0.1866(5) 0.41158(14) 0.0578(14) Uani 1 1 d . . . .
H03V H -0.2902 0.1545 0.4103 0.069 Uiso 1 1 calc R . . .
C03W C 0.4373(5) 1.1423(5) 0.11985(14) 0.0588(14) Uani 1 1 d . . . .
H03W H 0.5020 1.1400 0.1292 0.071 Uiso 1 1 calc R . . .
C03X C 0.5351(4) 0.2108(4) 0.56698(14) 0.0592(14) Uani 1 1 d . . . .
H03X H 0.5847 0.1940 0.5808 0.071 Uiso 1 1 calc R . . .
C03Y C 0.2614(5) 1.0611(5) 0.08347(16) 0.0667(16) Uani 1 1 d . . . .
H03Y H 0.2036 1.0025 0.0679 0.080 Uiso 1 1 calc R . . .
C03Z C 0.6706(5) 0.5809(5) 0.13238(16) 0.0627(15) Uani 1 1 d . . . .
H03Z H 0.7314 0.5742 0.1431 0.075 Uiso 1 1 calc R . . .
C040 C 0.3705(5) 0.4675(5) 0.35814(16) 0.0722(17) Uani 1 1 d . . . .
H040 H 0.4287 0.5405 0.3589 0.087 Uiso 1 1 calc R . . .
C041 C 0.5132(6) 0.7701(6) -0.02636(15) 0.0716(17) Uani 1 1 d . . . .
H041 H 0.5513 0.7903 -0.0456 0.086 Uiso 1 1 calc R . . .
C042 C 0.5818(5) 1.2444(4) 0.22652(14) 0.0585(14) Uani 1 1 d . . . .
H042 H 0.6348 1.3158 0.2369 0.070 Uiso 1 1 calc R . . .
C043 C 0.7516(4) 0.9348(5) 0.07554(14) 0.0595(14) Uani 1 1 d . . . .
H043 H 0.7161 0.8576 0.0734 0.071 Uiso 1 1 calc R . . .
C044 C 0.2618(5) 0.5537(5) 0.50316(16) 0.0675(16) Uani 1 1 d . . . .
H044 H 0.2370 0.5891 0.4869 0.081 Uiso 1 1 calc R . . .
C045 C 0.4183(5) 0.6709(6) -0.02850(14) 0.0724(17) Uani 1 1 d . . . .
H045 H 0.3899 0.6233 -0.0493 0.087 Uiso 1 1 calc R . . .
C046 C 0.7997(6) 0.9404(7) 0.22232(16) 0.0788(19) Uani 1 1 d . . . .
H046 H 0.8241 0.9194 0.2431 0.095 Uiso 1 1 calc R . . .
C047 C -0.2190(4) 0.3737(5) 0.15212(16) 0.0669(15) Uani 1 1 d . . . .
H047 H -0.2921 0.3394 0.1571 0.080 Uiso 1 1 calc R . . .
C048 C 0.1719(4) 0.6440(5) 0.38509(14) 0.0605(14) Uani 1 1 d . . . .
H048 H 0.1909 0.6524 0.4097 0.073 Uiso 1 1 calc R . . .
C049 C 0.4776(5) 0.9814(5) 0.06683(15) 0.0644(16) Uani 1 1 d . . . .
C04A C 0.5881(4) 0.9717(5) 0.31318(16) 0.0654(15) Uani 1 1 d . . . .
H04A H 0.6577 1.0350 0.3131 0.078 Uiso 1 1 calc R . . .
C04B C 0.3372(6) 1.2377(5) 0.11391(18) 0.0742(18) Uani 1 1 d . . . .
H04B H 0.3317 1.3000 0.1197 0.089 Uiso 1 1 calc R . . .
C04C C 0.8165(5) 1.0767(5) 0.18602(17) 0.0745(17) Uani 1 1 d . . . .
H04C H 0.8514 1.1510 0.1816 0.089 Uiso 1 1 calc R . . .
C04D C 0.3638(5) 0.6402(5) -0.00028(15) 0.0690(16) Uani 1 1 d . . . .
H04D H 0.2991 0.5710 -0.0015 0.083 Uiso 1 1 calc R . . .
C04E C 0.4302(5) 1.2325(5) 0.12826(15) 0.0663(16) Uani 1 1 d . . . .
H04E H 0.4883 1.2911 0.1438 0.080 Uiso 1 1 calc R . . .
C04F C 0.5773(5) 0.9021(5) 0.33816(15) 0.0644(15) Uani 1 1 d . . . .
H04F H 0.6383 0.9191 0.3559 0.077 Uiso 1 1 calc R . . .
C04G C 0.0439(6) 0.7058(6) 0.05573(16) 0.0778(18) Uani 1 1 d . . . .
H04G H -0.0215 0.6695 0.0656 0.093 Uiso 1 1 calc R . . .
C04H C 0.8537(5) 1.0474(6) 0.21597(18) 0.0778(18) Uani 1 1 d . . . .
H04H H 0.9157 1.1003 0.2320 0.093 Uiso 1 1 calc R . . .
C04I C 0.8647(5) 0.9947(6) 0.07994(15) 0.0732(17) Uani 1 1 d . . . .
H04I H 0.9070 0.9591 0.0809 0.088 Uiso 1 1 calc R . . .
C04J C 0.2535(5) 1.1532(5) 0.09145(18) 0.0747(18) Uani 1 1 d . . . .
H04J H 0.1905 1.1572 0.0814 0.090 Uiso 1 1 calc R . . .
C04K C 0.8581(6) 1.1596(5) 0.08215(16) 0.0776(18) Uani 1 1 d . . . .
H04K H 0.8948 1.2369 0.0847 0.093 Uiso 1 1 calc R . . .
C04L C 0.2358(6) 0.8121(6) 0.02759(15) 0.0772(18) Uani 1 1 d . . . .
H04L H 0.3009 0.8482 0.0176 0.093 Uiso 1 1 calc R . . .
C04M C 0.9175(5) 1.1084(6) 0.08295(17) 0.0803(18) Uani 1 1 d . . . .
H04M H 0.9958 1.1500 0.0856 0.096 Uiso 1 1 calc R . . .
C04N C 0.0428(6) 0.6796(6) 0.02121(17) 0.091(2) Uani 1 1 d . . . .
H04N H -0.0237 0.6251 0.0073 0.109 Uiso 1 1 calc R . . .
C04O C 0.1374(7) 0.7323(7) 0.00737(17) 0.099(2) Uani 1 1 d . . . .
H04O H 0.1362 0.7145 -0.0163 0.119 Uiso 1 1 calc R . . .
O04Q O -0.3488(6) 0.6289(6) 0.0207(2) 0.0700(13) Uani 0.5 1 d . P A 1
C04V C -0.1671(10) 0.7598(10) 0.0387(3) 0.0700(13) Uani 0.5 1 d . P A 1
H04P H -0.1513 0.8224 0.0548 0.084 Uiso 0.5 1 calc R P A 1
H04Q H -0.1011 0.7510 0.0423 0.084 Uiso 0.5 1 calc R P A 1
C04X C -0.1794(10) 0.7815(10) 0.0099(3) 0.0700(13) Uani 0.5 1 d . P A 1
H04R H -0.1119 0.8052 -0.0005 0.084 Uiso 0.5 1 calc R P A 1
H04S H -0.1995 0.8393 0.0090 0.084 Uiso 0.5 1 calc R P A 1
C04Y C -0.2570(9) 0.6649(10) 0.0478(3) 0.0700(13) Uani 0.5 1 d . P A 1
H04T H -0.2756 0.6815 0.0698 0.084 Uiso 0.5 1 calc R P A 1
H04U H -0.2372 0.6074 0.0510 0.084 Uiso 0.5 1 calc R P A 1
C04Z C -0.2714(9) 0.6769(10) -0.0077(3) 0.0700(13) Uani 0.5 1 d . P A 1
H04V H -0.2443 0.6278 -0.0143 0.084 Uiso 0.5 1 calc R P A 1
H04W H -0.3110 0.6881 -0.0287 0.084 Uiso 0.5 1 calc R P A 1
C6 C 0.6825(6) 0.3459(7) 0.3240(2) 0.0801(10) Uani 0.75 1 d . P . .
H6A H 0.6773 0.3811 0.3028 0.096 Uiso 0.75 1 calc R P . .
H6B H 0.7354 0.4033 0.3427 0.096 Uiso 0.75 1 calc R P . .
C7 C 0.5647(6) 0.2801(7) 0.3352(2) 0.0801(10) Uani 0.75 1 d . P . .
H7A H 0.5161 0.2149 0.3185 0.096 Uiso 0.75 1 calc R P . .
H7B H 0.5724 0.2556 0.3584 0.096 Uiso 0.75 1 calc R P . .
C8 C 0.7204(6) 0.2673(7) 0.3173(2) 0.0801(10) Uani 0.75 1 d . P . .
H8A H 0.6680 0.2126 0.2979 0.096 Uiso 0.75 1 calc R P . .
H8B H 0.7184 0.2283 0.3382 0.096 Uiso 0.75 1 calc R P . .
C9 C 0.5176(6) 0.3467(7) 0.3361(2) 0.0801(10) Uani 0.75 1 d . P . .
H9A H 0.5121 0.3724 0.3133 0.120 Uiso 0.75 1 calc GR P . .
H9B H 0.5642 0.4093 0.3535 0.120 Uiso 0.75 1 calc GR P . .
H9C H 0.4437 0.3051 0.3422 0.120 Uiso 0.75 1 calc GR P . .
C10 C 0.8374(6) 0.3203(7) 0.3084(2) 0.0801(10) Uani 0.75 1 d . P . .
H10A H 0.8897 0.3737 0.3281 0.096 Uiso 0.75 1 calc R P . .
H10B H 0.8396 0.3609 0.2880 0.096 Uiso 0.75 1 calc R P . .
C11 C 0.8782(6) 0.2388(6) 0.3004(2) 0.0801(10) Uani 0.75 1 d . P . .
H11A H 0.8273 0.1856 0.2809 0.120 Uiso 0.75 1 calc GR P . .
H11B H 0.8802 0.2007 0.3209 0.120 Uiso 0.75 1 calc GR P . .
H11C H 0.9524 0.2790 0.2945 0.120 Uiso 0.75 1 calc GR P . .
H00I H -0.085(3) 0.031(3) 0.4635(10) 0.034(11) Uiso 1 1 d . . . .
H00Z H 0.405(3) 0.842(3) 0.2225(10) 0.035(12) Uiso 1 1 d . . . .
H01Q H -0.018(4) 0.404(4) 0.2520(12) 0.059(14) Uiso 1 1 d . . . .
H00M H 0.432(4) 0.365(3) 0.4621(10) 0.040(12) Uiso 1 1 d . . . .
H013 H 0.483(4) 0.799(4) 0.1873(13) 0.058(15) Uiso 1 1 d . . . .
H049 H 0.475(4) 1.016(4) 0.0469(13) 0.059(15) Uiso 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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
P005 Ni01 P004 123.45(6) . .
P005 Ni01 P006 103.89(6) . 2_556
P006 Ni01 P004 128.42(5) 2_556 .
C00I Ni01 P004 43.69(12) . .
C00I Ni01 P005 166.96(12) . .
C00I Ni01 P006 88.83(13) . 2_556
C00L Ni01 P004 40.22(13) . .
C00L Ni01 P005 87.12(14) . .
C00L Ni01 P006 168.55(13) . 2_556
C00L Ni01 C00I 80.03(18) . .
P008 Ni02 P00C 123.68(5) . .
P00D Ni02 P008 104.11(6) . .
P00D Ni02 P00C 129.78(6) . .
C00Z Ni02 P008 164.07(13) . .
C00Z Ni02 P00C 42.25(13) . .
C00Z Ni02 P00D 91.64(14) . .
C01X Ni02 P008 85.42(14) . .
C01X Ni02 P00C 38.42(14) . .
C01X Ni02 P00D 164.41(15) . .
C01X Ni02 C00Z 79.74(19) . .
P00A Ni03 P00B 129.73(5) . .
P00A Ni03 P00E 104.93(5) . .
P00E Ni03 P00B 122.94(5) . .
C013 Ni03 P00A 90.84(14) . .
C013 Ni03 P00B 43.18(13) . .
C013 Ni03 P00E 163.95(14) . .
C020 Ni03 P00A 167.07(15) . .
C020 Ni03 P00B 39.77(14) . .
C020 Ni03 P00E 83.60(14) . .
C020 Ni03 C013 81.39(18) . .
C00G P004 Ni01 102.85(16) . .
C00G P004 C00W 102.3(2) . .
C00I P004 Ni01 52.75(15) . .
C00I P004 C00G 102.5(2) . .
C00I P004 C00W 120.9(2) . .
C00L P004 Ni01 49.40(15) . .
C00L P004 C00G 117.8(2) . .
C00L P004 C00I 96.9(2) . .
C00L P004 C00W 116.6(2) . .
C00W P004 Ni01 154.84(16) . .
C00H P005 Ni01 114.27(16) . .
C00H P005 C016 106.0(2) . .
C00M P005 Ni01 110.16(18) . .
C00M P005 C00H 105.6(2) . .
C00M P005 C016 105.8(2) . .
C016 P005 Ni01 114.38(15) . .
C00I P006 Ni01 107.20(15) . 2_556
C00I P006 C00O 106.1(2) . .
C00I P006 C00X 113.8(2) . .
C00O P006 Ni01 122.05(14) . 2_556
C00X P006 Ni01 107.62(15) . 2_556
C00X P006 C00O 100.3(2) . .
C00L P007 C00P 115.4(2) . .
C00L P007 C00T 111.1(2) . .
C00M P007 C00L 106.5(2) . .
C00M P007 C00P 111.4(2) . .
C00M P007 C00T 110.6(2) . .
C00P P007 C00T 102.0(2) . .
C00R P008 Ni02 120.24(15) . .
C00R P008 C012 101.1(2) . .
C012 P008 Ni02 111.96(16) . .
C01Q P008 Ni02 108.98(18) . .
C01Q P008 C00R 104.1(2) . .
C01Q P008 C012 109.9(2) . .
C00Q P009 C00S 101.9(2) . .
C01Q P009 C00Q 113.0(2) . .
C01Q P009 C00S 112.7(2) . .
C01Q P009 C01X 105.3(2) . .
C01X P009 C00Q 113.9(2) . .
C01X P009 C00S 110.3(2) . .
C00Z P00A Ni03 113.78(15) . .
C00Z P00A C019 101.6(2) . .
C00Z P00A C021 106.8(2) . .
C019 P00A Ni03 108.98(15) . .
C021 P00A Ni03 117.15(16) . .
C021 P00A C019 107.3(2) . .
C00J P00B Ni03 145.61(18) . .
C013 P00B Ni03 50.27(16) . .
C013 P00B C00J 119.4(2) . .
C013 P00B C02H 100.7(2) . .
C020 P00B Ni03 47.99(15) . .
C020 P00B C00J 116.1(2) . .
C020 P00B C013 96.2(2) . .
C020 P00B C02H 118.9(2) . .
C02H P00B Ni03 109.13(16) . .
C02H P00B C00J 105.1(2) . .
C00K P00C Ni02 141.62(17) . .
C00Z P00C Ni02 49.52(16) . .
C00Z P00C C00K 119.6(2) . .
C00Z P00C C01N 103.6(2) . .
C01N P00C Ni02 113.65(15) . .
C01N P00C C00K 104.7(2) . .
C01X P00C Ni02 46.95(15) . .
C01X P00C C00K 115.1(2) . .
C01X P00C C00Z 95.3(2) . .
C01X P00C C01N 118.7(2) . .
C013 P00D Ni02 113.16(16) . .
C013 P00D C01B 104.4(2) . .
C013 P00D C01L 106.7(2) . .
C01B P00D Ni02 105.21(16) . .
C01L P00D Ni02 118.77(15) . .
C01L P00D C01B 107.6(2) . .
C01A P00E Ni03 119.49(18) . .
C01A P00E C03O 103.0(3) . .
C03O P00E Ni03 109.99(17) . .
C049 P00E Ni03 108.9(2) . .
C049 P00E C01A 105.2(2) . .
C049 P00E C03O 109.9(3) . .
C020 P00F C02F 111.5(2) . .
C020 P00F C02G 114.1(2) . .
C02G P00F C02F 101.9(2) . .
C049 P00F C020 104.6(2) . .
C049 P00F C02F 111.8(3) . .
C049 P00F C02G 113.1(3) . .
C011 C00G P004 122.4(3) . .
C01E C00G P004 119.2(3) . .
C01E C00G C011 118.4(4) . .
C010 C00H P005 117.7(4) . .
C017 C00H P005 123.0(4) . .
C017 C00H C010 118.6(4) . .
Ni01 C00I H00I 110(2) . .
P004 C00I Ni01 83.56(18) . .
P004 C00I P006 129.8(3) . .
P004 C00I H00I 106(2) . .
P006 C00I Ni01 116.8(2) . .
P006 C00I H00I 108(2) . .
C01W C00J P00B 116.3(4) . .
C02B C00J P00B 124.7(4) . .
C02B C00J C01W 118.9(5) . .
C00N C00K P00C 125.3(4) . .
C01H C00K P00C 116.3(4) . .
C01H C00K C00N 118.4(4) . .
P004 C00L Ni01 90.38(18) . .
P004 C00L P007 144.6(3) . .
P007 C00L Ni01 121.6(2) . .
P005 C00M H00M 121(3) . .
P007 C00M P005 113.0(3) . .
P007 C00M H00M 120(3) . .
C00K C00N H00N 119.5 . .
C00K C00N C01K 121.0(5) . .
C01K C00N H00N 119.5 . .
C00U C00O P006 118.9(4) . .
C00U C00O C01M 118.4(5) . .
C01M C00O P006 122.7(4) . .
C00Y C00P P007 124.4(3) . .
C00Y C00P C03L 117.8(4) . .
C03L C00P P007 117.8(4) . .
C018 C00Q P009 120.6(4) . .
C02J C00Q P009 120.8(4) . .
C02J C00Q C018 118.6(5) . .
C022 C00R P008 117.3(4) . .
C022 C00R C023 118.0(4) . .
C023 C00R P008 124.6(4) . .
C01C C00S P009 116.7(3) . .
C01C C00S C01O 118.6(4) . .
C01O C00S P009 124.7(4) . .
C01G C00T P007 119.3(4) . .
C01G C00T C025 118.2(4) . .
C025 C00T P007 122.4(4) . .
C00O C00U H00U 119.5 . .
C00O C00U C037 121.0(5) . .
C037 C00U H00U 119.5 . .
C021 C00V H00V 119.7 . .
C02Q C00V H00V 119.7 . .
C02Q C00V C021 120.6(5) . .
C01P C00W P004 123.2(3) . .
C01P C00W C02D 119.0(4) . .
C02D C00W P004 117.7(4) . .
C01I C00X P006 125.3(3) . .
C01I C00X C026 118.3(4) . .
C026 C00X P006 116.3(3) . .
C00P C00Y H00Y 119.2 . .
C00P C00Y C015 121.6(5) . .
C015 C00Y H00Y 119.2 . .
Ni02 C00Z H00Z 112(2) . .
P00A C00Z Ni02 117.0(3) . .
P00A C00Z H00Z 106(2) . .
P00C C00Z Ni02 88.23(19) . .
P00C C00Z P00A 129.7(3) . .
P00C C00Z H00Z 102(2) . .
C00H C010 H010 119.8 . .
C030 C010 C00H 120.5(5) . .
C030 C010 H010 119.8 . .
C00G C011 H011 119.3 . .
C03V C011 C00G 121.3(5) . .
C03V C011 H011 119.3 . .
C02P C012 P008 120.3(4) . .
C02U C012 P008 122.0(4) . .
C02U C012 C02P 117.7(5) . .
Ni03 C013 H013 115(3) . .
P00B C013 Ni03 86.6(2) . .
P00B C013 P00D 129.4(3) . .
P00B C013 H013 108(3) . .
P00D C013 Ni03 116.6(3) . .
P00D C013 H013 102(3) . .
C029 C014 H014 119.4 . .
C029 C014 C02D 121.2(5) . .
C02D C014 H014 119.4 . .
C00Y C015 H015 119.9 . .
C035 C015 C00Y 120.2(5) . .
C035 C015 H015 119.9 . .
C02A C016 P005 126.7(4) . .
C02A C016 C02K 117.8(4) . .
C02K C016 P005 115.6(4) . .
C00H C017 H017 119.6 . .
C00H C017 C03G 120.8(5) . .
C03G C017 H017 119.6 . .
C00Q C018 H018 119.4 . .
C02L C018 C00Q 121.2(5) . .
C02L C018 H018 119.4 . .
C024 C019 P00A 116.0(4) . .
C02N C019 P00A 126.4(4) . .
C02N C019 C024 117.3(5) . .
C03W C01A P00E 117.3(4) . .
C03W C01A C03Y 118.6(5) . .
C03Y C01A P00E 124.1(5) . .
C01R C01B P00D 116.4(4) . .
C01R C01B C01T 118.6(4) . .
C01T C01B P00D 124.9(4) . .
C00S C01C H01C 119.6 . .
C01S C01C C00S 120.9(4) . .
C01S C01C H01C 119.6 . .
C01I C01D H01D 119.9 . .
C02C C01D H01D 119.9 . .
C02C C01D C01I 120.2(4) . .
C00G C01E H01E 120.1 . .
C00G C01E C03S 119.8(5) . .
C03S C01E H01E 120.1 . .
C025 C01F H01F 119.7 . .
C028 C01F H01F 119.7 . .
C028 C01F C025 120.6(5) . .
C00T C01G H01G 119.5 . .
C00T C01G C01J 121.0(5) . .
C01J C01G H01G 119.5 . .
C00K C01H H01H 119.4 . .
C00K C01H C01U 121.2(5) . .
C01U C01H H01H 119.4 . .
C00X C01I C01D 120.6(4) . .
C00X C01I H01I 119.7 . .
C01D C01I H01I 119.7 . .
C01G C01J H01J 119.7 . .
C028 C01J C01G 120.6(5) . .
C028 C01J H01J 119.7 . .
C00N C01K H01K 120.2 . .
C02R C01K C00N 119.6(5) . .
C02R C01K H01K 120.2 . .
C01V C01L P00D 123.7(4) . .
C01V C01L C02E 117.1(5) . .
C02E C01L P00D 118.8(4) . .
C00O C01M H01M 119.7 . .
C032 C01M C00O 120.5(5) . .
C032 C01M H01M 119.7 . .
C02T C01N P00C 121.9(4) . .
C02T C01N C03E 118.1(5) . .
C03E C01N P00C 120.0(4) . .
C00S C01O H01O 119.9 . .
C033 C01O C00S 120.2(5) . .
C033 C01O H01O 119.9 . .
C00W C01P H01P 119.7 . .
C00W C01P C02V 120.6(5) . .
C02V C01P H01P 119.7 . .
P008 C01Q H01Q 119(3) . .
P009 C01Q P008 111.1(3) . .
P009 C01Q H01Q 124(3) . .
C01B C01R H01R 119.5 . .
C01B C01R C03K 120.9(5) . .
C03K C01R H01R 119.5 . .
C01C C01S H01S 120.0 . .
C01C C01S C034 119.9(5) . .
C034 C01S H01S 120.0 . .
C01B C01T H01T 120.1 . .
C01Y C01T C01B 119.8(5) . .
C01Y C01T H01T 120.1 . .
C01H C01U H01U 120.1 . .
C02R C01U C01H 119.8(5) . .
C02R C01U H01U 120.1 . .
C01L C01V H01V 119.3 . .
C03C C01V C01L 121.3(5) . .
C03C C01V H01V 119.3 . .
C00J C01W H01W 119.5 . .
C03F C01W C00J 121.0(5) . .
C03F C01W H01W 119.5 . .
P009 C01X Ni02 123.6(3) . .
P00C C01X Ni02 94.6(2) . .
P00C C01X P009 139.8(3) . .
C01T C01Y H01Y 119.7 . .
C031 C01Y C01T 120.6(5) . .
C031 C01Y H01Y 119.7 . .
C027 C01Z H01Z 119.9 . .
C02W C01Z H01Z 119.9 . .
C02W C01Z C027 120.2(5) . .
P00B C020 Ni03 92.2(2) . .
P00B C020 P00F 137.1(3) . .
P00F C020 Ni03 124.4(3) . .
C00V C021 P00A 117.7(4) . .
C02I C021 P00A 124.3(4) . .
C02I C021 C00V 117.2(5) . .
C00R C022 H022 119.2 . .
C027 C022 C00R 121.7(5) . .
C027 C022 H022 119.2 . .
C00R C023 H023 119.7 . .
C02W C023 C00R 120.7(5) . .
C02W C023 H023 119.7 . .
C019 C024 H024 118.9 . .
C03N C024 C019 122.1(5) . .
C03N C024 H024 118.9 . .
C00T C025 H025 120.0 . .
C01F C025 C00T 120.0(5) . .
C01F C025 H025 120.0 . .
C00X C026 H026 119.7 . .
C02Y C026 C00X 120.7(4) . .
C02Y C026 H026 119.7 . .
C01Z C027 H027 120.2 . .
C022 C027 C01Z 119.5(5) . .
C022 C027 H027 120.2 . .
C01F C028 H028 120.2 . .
C01J C028 C01F 119.6(5) . .
C01J C028 H028 120.2 . .
C014 C029 H029 119.9 . .
C014 C029 C02V 120.2(5) . .
C02V C029 H029 119.9 . .
C016 C02A H02A 119.7 . .
C016 C02A C02X 120.5(5) . .
C02X C02A H02A 119.7 . .
C00J C02B H02B 119.9 . .
C00J C02B C03Z 120.3(5) . .
C03Z C02B H02B 119.9 . .
C01D C02C H02C 120.2 . .
C01D C02C C02Y 119.7(4) . .
C02Y C02C H02C 120.2 . .
C00W C02D H02D 120.3 . .
C014 C02D C00W 119.5(5) . .
C014 C02D H02D 120.3 . .
C01L C02E H02E 119.2 . .
C03A C02E C01L 121.6(5) . .
C03A C02E H02E 119.2 . .
C02M C02F P00F 123.5(4) . .
C038 C02F P00F 118.9(4) . .
C038 C02F C02M 117.2(5) . .
C03U C02G P00F 121.5(4) . .
C043 C02G P00F 121.0(4) . .
C043 C02G C03U 117.4(5) . .
C02S C02H P00B 120.8(4) . .
C03Q C02H P00B 120.4(4) . .
C03Q C02H C02S 118.2(5) . .
C021 C02I H02I 119.3 . .
C02Z C02I C021 121.4(5) . .
C02Z C02I H02I 119.3 . .
C00Q C02J H02J 119.9 . .
C00Q C02J C03R 120.3(5) . .
C03R C02J H02J 119.9 . .
C016 C02K H02K 119.3 . .
C044 C02K C016 121.4(5) . .
C044 C02K H02K 119.3 . .
C018 C02L H02L 120.2 . .
C018 C02L C048 119.7(5) . .
C048 C02L H02L 120.2 . .
C02F C02M H02M 119.5 . .
C041 C02M C02F 121.1(5) . .
C041 C02M H02M 119.5 . .
C019 C02N H02N 119.6 . .
C02O C02N C019 120.8(5) . .
C02O C02N H02N 119.6 . .
C02N C02O H02O 119.5 . .
C042 C02O C02N 121.1(5) . .
C042 C02O H02O 119.5 . .
C012 C02P H02P 119.4 . .
C047 C02P C012 121.3(5) . .
C047 C02P H02P 119.4 . .
C00V C02Q H02Q 119.4 . .
C00V C02Q C03D 121.3(5) . .
C03D C02Q H02Q 119.4 . .
C01K C02R C01U 120.0(5) . .
C01K C02R H02R 120.0 . .
C01U C02R H02R 120.0 . .
C02H C02S H02S 120.2 . .
C02H C02S C046 119.7(6) . .
C046 C02S H02S 120.2 . .
C01N C02T H02T 119.7 . .
C04A C02T C01N 120.6(5) . .
C04A C02T H02T 119.7 . .
C012 C02U H02U 119.2 . .
C012 C02U C03P 121.5(5) . .
C03P C02U H02U 119.2 . .
C01P C02V H02V 120.3 . .
C029 C02V C01P 119.4(5) . .
C029 C02V H02V 120.3 . .
C01Z C02W C023 119.8(5) . .
C01Z C02W H02W 120.1 . .
C023 C02W H02W 120.1 . .
C02A C02X H02X 120.0 . .
C03B C02X C02A 120.1(5) . .
C03B C02X H02X 120.0 . .
C026 C02Y C02C 120.4(5) . .
C026 C02Y H02Y 119.8 . .
C02C C02Y H02Y 119.8 . .
C02I C02Z H02Z 119.5 . .
C03D C02Z C02I 121.0(5) . .
C03D C02Z H02Z 119.5 . .
C010 C030 H030 119.5 . .
C010 C030 C03X 120.9(5) . .
C03X C030 H030 119.5 . .
C01Y C031 H031 120.0 . .
C03K C031 C01Y 120.0(5) . .
C03K C031 H031 120.0 . .
C01M C032 H032 119.9 . .
C039 C032 C01M 120.3(5) . .
C039 C032 H032 119.9 . .
C01O C033 H033 119.8 . .
C034 C033 C01O 120.5(5) . .
C034 C033 H033 119.8 . .
C01S C034 H034 120.1 . .
C033 C034 C01S 119.8(5) . .
C033 C034 H034 120.1 . .
C015 C035 H035 120.3 . .
C015 C035 C040 119.3(5) . .
C040 C035 H035 120.3 . .
C03P C036 H036 120.6 . .
C03P C036 C047 118.9(5) . .
C047 C036 H036 120.6 . .
C00U C037 H037 120.2 . .
C039 C037 C00U 119.6(5) . .
C039 C037 H037 120.2 . .
C02F C038 H038 119.1 . .
C04D C038 C02F 121.8(5) . .
C04D C038 H038 119.1 . .
C032 C039 H039 119.9 . .
C037 C039 C032 120.2(5) . .
C037 C039 H039 119.9 . .
C02E C03A H03A 120.1 . .
C02E C03A C03T 119.9(5) . .
C03T C03A H03A 120.1 . .
C02X C03B H03B 119.9 . .
C044 C03B C02X 120.1(5) . .
C044 C03B H03B 119.9 . .
C01V C03C H03C 119.9 . .
C01V C03C C03T 120.2(6) . .
C03T C03C H03C 119.9 . .
C02Q C03D H03D 120.8 . .
C02Z C03D C02Q 118.4(5) . .
C02Z C03D H03D 120.8 . .
C01N C03E H03E 119.4 . .
C03J C03E C01N 121.1(5) . .
C03J C03E H03E 119.4 . .
C01W C03F H03F 120.5 . .
C01W C03F C03H 119.0(6) . .
C03H C03F H03F 120.5 . .
C017 C03G H03G 119.9 . .
C03X C03G C017 120.2(5) . .
C03X C03G H03G 119.9 . .
C03F C03H H03H 119.9 . .
C03Z C03H C03F 120.1(5) . .
C03Z C03H H03H 119.9 . .
C03S C03I H03I 120.1 . .
C03S C03I C03V 119.8(5) . .
C03V C03I H03I 120.1 . .
C03E C03J H03J 120.3 . .
C04F C03J C03E 119.4(5) . .
C04F C03J H03J 120.3 . .
C01R C03K H03K 120.0 . .
C031 C03K C01R 119.9(5) . .
C031 C03K H03K 120.0 . .
C00P C03L H03L 119.6 . .
C00P C03L C040 120.7(5) . .
C040 C03L H03L 119.6 . .
C03O C03M H03M 118.7 . .
C04G C03M H03M 118.7 . .
C04G C03M C03O 122.7(6) . .
C024 C03N H03N 120.3 . .
C024 C03N C042 119.3(5) . .
C042 C03N H03N 120.3 . .
C03M C03O P00E 121.6(4) . .
C03M C03O C04L 117.1(6) . .
C04L C03O P00E 121.2(4) . .
C02U C03P H03P 119.9 . .
C036 C03P C02U 120.3(5) . .
C036 C03P H03P 119.9 . .
C02H C03Q H03Q 119.3 . .
C04C C03Q C02H 121.5(6) . .
C04C C03Q H03Q 119.3 . .
C02J C03R H03R 119.6 . .
C02J C03R C048 120.8(5) . .
C048 C03R H03R 119.6 . .
C01E C03S H03S 119.4 . .
C03I C03S C01E 121.1(5) . .
C03I C03S H03S 119.4 . .
C03A C03T H03T 120.0 . .
C03C C03T C03A 120.0(6) . .
C03C C03T H03T 120.0 . .
C02G C03U H03U 119.5 . .
C04K C03U C02G 121.1(6) . .
C04K C03U H03U 119.5 . .
C011 C03V H03V 120.2 . .
C03I C03V C011 119.5(5) . .
C03I C03V H03V 120.2 . .
C01A C03W H03W 119.2 . .
C04E C03W C01A 121.5(5) . .
C04E C03W H03W 119.2 . .
C030 C03X H03X 120.5 . .
C03G C03X C030 119.0(5) . .
C03G C03X H03X 120.5 . .
C01A C03Y H03Y 119.7 . .
C01A C03Y C04J 120.5(6) . .
C04J C03Y H03Y 119.7 . .
C02B C03Z H03Z 119.7 . .
C03H C03Z C02B 120.5(5) . .
C03H C03Z H03Z 119.7 . .
C035 C040 C03L 120.4(5) . .
C035 C040 H040 119.8 . .
C03L C040 H040 119.8 . .
C02M C041 H041 119.9 . .
C045 C041 C02M 120.3(5) . .
C045 C041 H041 119.9 . .
C02O C042 C03N 119.3(5) . .
C02O C042 H042 120.3 . .
C03N C042 H042 120.3 . .
C02G C043 H043 119.3 . .
C04I C043 C02G 121.3(5) . .
C04I C043 H043 119.4 . .
C02K C044 H044 120.0 . .
C03B C044 C02K 120.1(5) . .
C03B C044 H044 120.0 . .
C041 C045 H045 120.0 . .
C041 C045 C04D 120.0(6) . .
C04D C045 H045 120.0 . .
C02S C046 H046 119.3 . .
C04H C046 C02S 121.4(6) . .
C04H C046 H046 119.3 . .
C02P C047 C036 120.3(5) . .
C02P C047 H047 119.9 . .
C036 C047 H047 119.9 . .
C02L C048 C03R 119.4(5) . .
C02L C048 H048 120.3 . .
C03R C048 H048 120.3 . .
P00E C049 H049 119(3) . .
P00F C049 P00E 111.5(3) . .
P00F C049 H049 123(3) . .
C02T C04A H04A 119.6 . .
C04F C04A C02T 120.7(5) . .
C04F C04A H04A 119.6 . .
C04E C04B H04B 119.9 . .
C04J C04B H04B 119.9 . .
C04J C04B C04E 120.2(6) . .
C03Q C04C H04C 119.7 . .
C03Q C04C C04H 120.5(6) . .
C04H C04C H04C 119.7 . .
C038 C04D C045 119.7(6) . .
C038 C04D H04D 120.2 . .
C045 C04D H04D 120.2 . .
C03W C04E C04B 119.5(6) . .
C03W C04E H04E 120.3 . .
C04B C04E H04E 120.3 . .
C03J C04F H04F 120.0 . .
C04A C04F C03J 120.0(5) . .
C04A C04F H04F 120.0 . .
C03M C04G H04G 120.5 . .
C03M C04G C04N 119.0(6) . .
C04N C04G H04G 120.5 . .
C046 C04H C04C 118.6(6) . .
C046 C04H H04H 120.7 . .
C04C C04H H04H 120.7 . .
C043 C04I H04I 120.2 . .
C043 C04I C04M 119.6(6) . .
C04M C04I H04I 120.2 . .
C03Y C04J H04J 120.2 . .
C04B C04J C03Y 119.6(6) . .
C04B C04J H04J 120.2 . .
C03U C04K H04K 120.0 . .
C04M C04K C03U 120.0(6) . .
C04M C04K H04K 120.0 . .
C03O C04L H04L 119.7 . .
C04O C04L C03O 120.6(6) . .
C04O C04L H04L 119.7 . .
C04I C04M H04M 119.7 . .
C04K C04M C04I 120.6(6) . .
C04K C04M H04M 119.7 . .
C04G C04N H04N 120.1 . .
C04O C04N C04G 119.9(7) . .
C04O C04N H04N 120.1 . .
C04L C04O H04O 119.6 . .
C04N C04O C04L 120.7(6) . .
C04N C04O H04O 119.6 . .
C04Y O04Q C04Z 92.3(7) . .
H04P C04V H04Q 107.4 . .
C04X C04V H04P 108.3 . .
C04X C04V H04Q 108.3 . .
C04X C04V C04Y 116.1(13) . .
C04Y C04V H04P 108.3 . .
C04Y C04V H04Q 108.3 . .
C04V C04X H04R 111.4 . .
C04V C04X H04S 111.4 . .
C04V C04X C04Z 102.1(11) . .
H04R C04X H04S 109.2 . .
C04Z C04X H04R 111.4 . .
C04Z C04X H04S 111.4 . .
O04Q C04Y H04T 110.1 . .
O04Q C04Y H04U 110.1 . .
C04V C04Y O04Q 108.2(9) . .
C04V C04Y H04T 110.1 . .
C04V C04Y H04U 110.1 . .
H04T C04Y H04U 108.4 . .
O04Q C04Z H04V 111.1 . .
O04Q C04Z H04W 111.1 . .
C04X C04Z O04Q 103.5(9) . .
C04X C04Z H04V 111.1 . .
C04X C04Z H04W 111.1 . .
H04V C04Z H04W 109.0 . .
H6A C6 H6B 108.5 . .
C7 C6 H6A 110.2 . .
C7 C6 H6B 110.2 . .
C8 C6 H6A 110.2 . .
C8 C6 H6B 110.2 . .
C8 C6 C7 107.6(6) . .
C6 C7 H7A 109.8 . .
C6 C7 H7B 109.8 . .
H7A C7 H7B 108.2 . .
C9 C7 C6 109.6(7) . .
C9 C7 H7A 109.8 . .
C9 C7 H7B 109.8 . .
C6 C8 H8A 108.8 . .
C6 C8 H8B 108.8 . .
C6 C8 C10 113.9(7) . .
H8A C8 H8B 107.7 . .
C10 C8 H8A 108.8 . .
C10 C8 H8B 108.8 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C8 C10 H10A 108.6 . .
C8 C10 H10B 108.6 . .
C8 C10 C11 114.8(6) . .
H10A C10 H10B 107.5 . .
C11 C10 H10A 108.6 . .
C11 C10 H10B 108.6 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11B 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni01 P004 2.5663(17) .
Ni01 P005 2.1946(17) .
Ni01 P006 2.1996(14) 2_556
Ni01 C00I 2.056(5) .
Ni01 C00L 1.948(4) .
Ni02 P008 2.2223(17) .
Ni02 P00C 2.6485(17) .
Ni02 P00D 2.2006(14) .
Ni02 C00Z 2.016(5) .
Ni02 C01X 1.942(4) .
Ni03 P00A 2.2050(14) .
Ni03 P00B 2.6223(14) .
Ni03 P00E 2.2191(15) .
Ni03 C013 2.020(5) .
Ni03 C020 1.950(4) .
P004 C00G 1.832(4) .
P004 C00I 1.784(4) .
P004 C00L 1.657(4) .
P004 C00W 1.834(5) .
P005 C00H 1.832(5) .
P005 C00M 1.737(4) .
P005 C016 1.836(5) .
P006 Ni01 2.1996(14) 2_556
P006 C00I 1.810(5) .
P006 C00O 1.842(5) .
P006 C00X 1.832(5) .
P007 C00L 1.713(4) .
P007 C00M 1.674(5) .
P007 C00P 1.826(5) .
P007 C00T 1.842(4) .
P008 C00R 1.839(5) .
P008 C012 1.859(5) .
P008 C01Q 1.742(5) .
P009 C00Q 1.826(5) .
P009 C00S 1.841(5) .
P009 C01Q 1.697(5) .
P009 C01X 1.714(4) .
P00A C00Z 1.805(5) .
P00A C019 1.832(5) .
P00A C021 1.809(5) .
P00B C00J 1.837(5) .
P00B C013 1.797(5) .
P00B C020 1.679(5) .
P00B C02H 1.829(6) .
P00C C00K 1.829(5) .
P00C C00Z 1.782(5) .
P00C C01N 1.827(5) .
P00C C01X 1.651(5) .
P00D C013 1.798(5) .
P00D C01B 1.844(5) .
P00D C01L 1.817(5) .
P00E C01A 1.830(5) .
P00E C03O 1.831(6) .
P00E C049 1.734(5) .
P00F C020 1.703(4) .
P00F C02F 1.823(5) .
P00F C02G 1.807(5) .
P00F C049 1.681(5) .
C00G C011 1.389(6) .
C00G C01E 1.386(6) .
C00H C010 1.392(6) .
C00H C017 1.379(7) .
C00I H00I 0.99(4) .
C00J C01W 1.389(7) .
C00J C02B 1.375(7) .
C00K C00N 1.391(7) .
C00K C01H 1.379(7) .
C00M H00M 0.95(4) .
C00N H00N 0.9500 .
C00N C01K 1.393(7) .
C00O C00U 1.385(7) .
C00O C01M 1.398(6) .
C00P C00Y 1.376(7) .
C00P C03L 1.392(7) .
C00Q C018 1.405(7) .
C00Q C02J 1.383(6) .
C00R C022 1.379(7) .
C00R C023 1.390(7) .
C00S C01C 1.380(6) .
C00S C01O 1.393(6) .
C00T C01G 1.376(6) .
C00T C025 1.407(7) .
C00U H00U 0.9500 .
C00U C037 1.397(7) .
C00V H00V 0.9500 .
C00V C021 1.413(7) .
C00V C02Q 1.369(7) .
C00W C01P 1.384(6) .
C00W C02D 1.388(6) .
C00X C01I 1.390(6) .
C00X C026 1.400(6) .
C00Y H00Y 0.9500 .
C00Y C015 1.390(6) .
C00Z H00Z 0.94(4) .
C010 H010 0.9500 .
C010 C030 1.381(6) .
C011 H011 0.9500 .
C011 C03V 1.388(6) .
C012 C02P 1.388(6) .
C012 C02U 1.372(6) .
C013 H013 0.91(5) .
C014 H014 0.9500 .
C014 C029 1.360(7) .
C014 C02D 1.379(7) .
C015 H015 0.9500 .
C015 C035 1.373(7) .
C016 C02A 1.391(7) .
C016 C02K 1.395(7) .
C017 H017 0.9500 .
C017 C03G 1.397(7) .
C018 H018 0.9500 .
C018 C02L 1.377(7) .
C019 C024 1.400(6) .
C019 C02N 1.394(6) .
C01A C03W 1.383(8) .
C01A C03Y 1.383(7) .
C01B C01R 1.386(7) .
C01B C01T 1.404(6) .
C01C H01C 0.9500 .
C01C C01S 1.377(6) .
C01D H01D 0.9500 .
C01D C01I 1.396(6) .
C01D C02C 1.374(6) .
C01E H01E 0.9500 .
C01E C03S 1.388(6) .
C01F H01F 0.9500 .
C01F C025 1.389(6) .
C01F C028 1.379(7) .
C01G H01G 0.9500 .
C01G C01J 1.392(6) .
C01H H01H 0.9500 .
C01H C01U 1.387(7) .
C01I H01I 0.9500 .
C01J H01J 0.9500 .
C01J C028 1.361(7) .
C01K H01K 0.9500 .
C01K C02R 1.380(7) .
C01L C01V 1.390(7) .
C01L C02E 1.409(7) .
C01M H01M 0.9500 .
C01M C032 1.384(7) .
C01N C02T 1.393(7) .
C01N C03E 1.397(6) .
C01O H01O 0.9500 .
C01O C033 1.380(7) .
C01P H01P 0.9500 .
C01P C02V 1.391(7) .
C01Q H01Q 1.03(5) .
C01R H01R 0.9500 .
C01R C03K 1.390(7) .
C01S H01S 0.9500 .
C01S C034 1.381(6) .
C01T H01T 0.9500 .
C01T C01Y 1.388(7) .
C01U H01U 0.9500 .
C01U C02R 1.385(7) .
C01V H01V 0.9500 .
C01V C03C 1.376(7) .
C01W H01W 0.9500 .
C01W C03F 1.389(7) .
C01Y H01Y 0.9500 .
C01Y C031 1.380(7) .
C01Z H01Z 0.9500 .
C01Z C027 1.381(7) .
C01Z C02W 1.367(7) .
C021 C02I 1.390(6) .
C022 H022 0.9500 .
C022 C027 1.371(7) .
C023 H023 0.9500 .
C023 C02W 1.387(7) .
C024 H024 0.9500 .
C024 C03N 1.380(7) .
C025 H025 0.9500 .
C026 H026 0.9500 .
C026 C02Y 1.377(6) .
C027 H027 0.9500 .
C028 H028 0.9500 .
C029 H029 0.9500 .
C029 C02V 1.372(7) .
C02A H02A 0.9500 .
C02A C02X 1.398(7) .
C02B H02B 0.9500 .
C02B C03Z 1.397(7) .
C02C H02C 0.9500 .
C02C C02Y 1.386(6) .
C02D H02D 0.9500 .
C02E H02E 0.9500 .
C02E C03A 1.365(7) .
C02F C02M 1.406(6) .
C02F C038 1.396(7) .
C02G C03U 1.408(7) .
C02G C043 1.394(7) .
C02H C02S 1.386(7) .
C02H C03Q 1.379(7) .
C02I H02I 0.9500 .
C02I C02Z 1.377(7) .
C02J H02J 0.9500 .
C02J C03R 1.383(7) .
C02K H02K 0.9500 .
C02K C044 1.384(7) .
C02L H02L 0.9500 .
C02L C048 1.388(7) .
C02M H02M 0.9500 .
C02M C041 1.374(8) .
C02N H02N 0.9500 .
C02N C02O 1.381(7) .
C02O H02O 0.9500 .
C02O C042 1.378(7) .
C02P H02P 0.9500 .
C02P C047 1.370(7) .
C02Q H02Q 0.9500 .
C02Q C03D 1.389(7) .
C02R H02R 0.9500 .
C02S H02S 0.9500 .
C02S C046 1.387(8) .
C02T H02T 0.9500 .
C02T C04A 1.384(7) .
C02U H02U 0.9500 .
C02U C03P 1.377(7) .
C02V H02V 0.9500 .
C02W H02W 0.9500 .
C02X H02X 0.9500 .
C02X C03B 1.377(7) .
C02Y H02Y 0.9500 .
C02Z H02Z 0.9500 .
C02Z C03D 1.376(7) .
C030 H030 0.9500 .
C030 C03X 1.383(7) .
C031 H031 0.9500 .
C031 C03K 1.377(7) .
C032 H032 0.9500 .
C032 C039 1.378(8) .
C033 H033 0.9500 .
C033 C034 1.367(7) .
C034 H034 0.9500 .
C035 H035 0.9500 .
C035 C040 1.376(8) .
C036 H036 0.9500 .
C036 C03P 1.376(7) .
C036 C047 1.383(7) .
C037 H037 0.9500 .
C037 C039 1.378(7) .
C038 H038 0.9500 .
C038 C04D 1.371(8) .
C039 H039 0.9500 .
C03A H03A 0.9500 .
C03A C03T 1.380(8) .
C03B H03B 0.9500 .
C03B C044 1.367(8) .
C03C H03C 0.9500 .
C03C C03T 1.377(8) .
C03D H03D 0.9500 .
C03E H03E 0.9500 .
C03E C03J 1.391(7) .
C03F H03F 0.9500 .
C03F C03H 1.396(7) .
C03G H03G 0.9500 .
C03G C03X 1.380(7) .
C03H H03H 0.9500 .
C03H C03Z 1.360(8) .
C03I H03I 0.9500 .
C03I C03S 1.371(7) .
C03I C03V 1.373(7) .
C03J H03J 0.9500 .
C03J C04F 1.384(7) .
C03K H03K 0.9500 .
C03L H03L 0.9500 .
C03L C040 1.393(7) .
C03M H03M 0.9500 .
C03M C03O 1.386(7) .
C03M C04G 1.383(8) .
C03N H03N 0.9500 .
C03N C042 1.393(7) .
C03O C04L 1.401(8) .
C03P H03P 0.9500 .
C03Q H03Q 0.9500 .
C03Q C04C 1.368(8) .
C03R H03R 0.9500 .
C03R C048 1.391(8) .
C03S H03S 0.9500 .
C03T H03T 0.9500 .
C03U H03U 0.9500 .
C03U C04K 1.382(8) .
C03V H03V 0.9500 .
C03W H03W 0.9500 .
C03W C04E 1.370(7) .
C03X H03X 0.9500 .
C03Y H03Y 0.9500 .
C03Y C04J 1.398(8) .
C03Z H03Z 0.9500 .
C040 H040 0.9500 .
C041 H041 0.9500 .
C041 C045 1.374(8) .
C042 H042 0.9500 .
C043 H043 0.9500 .
C043 C04I 1.370(7) .
C044 H044 0.9500 .
C045 H045 0.9500 .
C045 C04D 1.387(7) .
C046 H046 0.9500 .
C046 C04H 1.369(9) .
C047 H047 0.9500 .
C048 H048 0.9500 .
C049 H049 0.94(5) .
C04A H04A 0.9500 .
C04A C04F 1.372(7) .
C04B H04B 0.9500 .
C04B C04E 1.390(8) .
C04B C04J 1.372(9) .
C04C H04C 0.9500 .
C04C C04H 1.374(9) .
C04D H04D 0.9500 .
C04E H04E 0.9500 .
C04F H04F 0.9500 .
C04G H04G 0.9500 .
C04G C04N 1.390(8) .
C04H H04H 0.9500 .
C04I H04I 0.9500 .
C04I C04M 1.398(9) .
C04J H04J 0.9500 .
C04K H04K 0.9500 .
C04K C04M 1.351(9) .
C04L H04L 0.9500 .
C04L C04O 1.395(9) .
C04M H04M 0.9500 .
C04N H04N 0.9500 .
C04N C04O 1.366(9) .
C04O H04O 0.9500 .
O04Q C04Y 1.418(13) .
O04Q C04Z 1.588(12) .
C04V H04P 0.9900 .
C04V H04Q 0.9900 .
C04V C04X 1.186(14) .
C04V C04Y 1.417(15) .
C04X H04R 0.9900 .
C04X H04S 0.9900 .
C04X C04Z 1.476(16) .
C04Y H04T 0.9900 .
C04Y H04U 0.9900 .
C04Z H04V 0.9900 .
C04Z H04W 0.9900 .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C6 C7 1.585(10) .
C6 C8 1.488(11) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C7 C9 1.399(11) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C8 C10 1.535(10) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C10 C11 1.567(11) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 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
Ni01 P004 C00G C011 -110.4(4) .
Ni01 P004 C00G C01E 69.0(4) .
Ni01 P004 C00I P006 -119.7(4) .
Ni01 P004 C00L P007 -156.1(6) .
Ni01 P004 C00W C01P -179.9(3) .
Ni01 P004 C00W C02D -3.2(6) .
Ni01 P005 C00H C010 21.2(4) .
Ni01 P005 C00H C017 -168.6(3) .
Ni01 P005 C00M P007 -7.9(3) .
Ni01 P005 C016 C02A 105.5(4) .
Ni01 P005 C016 C02K -73.3(4) .
Ni01 P006 C00I Ni01 82.4(2) 2_556
Ni01 P006 C00I P004 -172.7(3) 2_556
Ni01 P006 C00O C00U 74.1(4) 2_556
Ni01 P006 C00O C01M -104.9(3) 2_556
Ni01 P006 C00X C01I -141.3(4) 2_556
Ni01 P006 C00X C026 40.6(4) 2_556
Ni02 P008 C00R C022 65.5(4) .
Ni02 P008 C00R C023 -112.7(4) .
Ni02 P008 C012 C02P -132.3(4) .
Ni02 P008 C012 C02U 47.3(4) .
Ni02 P008 C01Q P009 25.7(3) .
Ni02 P00C C00K C00N -166.5(3) .
Ni02 P00C C00K C01H 15.2(5) .
Ni02 P00C C00Z P00A 124.4(5) .
Ni02 P00C C01N C02T 107.6(4) .
Ni02 P00C C01N C03E -69.1(4) .
Ni02 P00C C01X P009 163.0(6) .
Ni02 P00D C013 Ni03 -68.9(3) .
Ni02 P00D C013 P00B -177.8(3) .
Ni02 P00D C01B C01R -26.6(4) .
Ni02 P00D C01B C01T 156.7(4) .
Ni02 P00D C01L C01V -94.5(4) .
Ni02 P00D C01L C02E 77.9(4) .
Ni03 P00A C00Z Ni02 -66.6(3) .
Ni03 P00A C00Z P00C -178.9(3) .
Ni03 P00A C019 C024 -32.3(4) .
Ni03 P00A C019 C02N 155.2(4) .
Ni03 P00A C021 C00V 76.9(4) .
Ni03 P00A C021 C02I -92.6(4) .
Ni03 P00B C00J C01W 14.1(5) .
Ni03 P00B C00J C02B -163.5(3) .
Ni03 P00B C013 P00D 122.0(5) .
Ni03 P00B C020 P00F 150.7(6) .
Ni03 P00B C02H C02S 115.5(4) .
Ni03 P00B C02H C03Q -56.0(4) .
Ni03 P00E C01A C03W 55.2(4) .
Ni03 P00E C01A C03Y -125.3(4) .
Ni03 P00E C03O C03M 55.6(5) .
Ni03 P00E C03O C04L -120.8(4) .
Ni03 P00E C049 P00F 27.5(4) .
P004 C00G C011 C03V 179.7(4) .
P004 C00G C01E C03S -179.8(4) .
P004 C00W C01P C02V 177.1(4) .
P004 C00W C02D C014 -178.0(4) .
P005 C00H C010 C030 172.0(4) .
P005 C00H C017 C03G -172.4(4) .
P005 C016 C02A C02X -179.3(3) .
P005 C016 C02K C044 178.9(4) .
P006 C00O C00U C037 -179.2(3) .
P006 C00O C01M C032 179.3(3) .
P006 C00X C01I C01D -175.3(4) .
P006 C00X C026 C02Y 174.7(4) .
P007 C00P C00Y C015 179.9(3) .
P007 C00P C03L C040 179.9(4) .
P007 C00T C01G C01J 178.2(3) .
P007 C00T C025 C01F -177.1(3) .
P008 C00R C022 C027 -177.1(4) .
P008 C00R C023 C02W 178.2(4) .
P008 C012 C02P C047 -177.6(4) .
P008 C012 C02U C03P 178.4(4) .
P009 C00Q C018 C02L -178.7(4) .
P009 C00Q C02J C03R 177.3(4) .
P009 C00S C01C C01S -179.1(4) .
P009 C00S C01O C033 -179.9(4) .
P00A C019 C024 C03N -175.2(4) .
P00A C019 C02N C02O 175.4(4) .
P00A C021 C02I C02Z 172.1(4) .
P00B C00J C01W C03F -174.4(4) .
P00B C00J C02B C03Z 174.4(4) .
P00B C02H C02S C046 -174.3(4) .
P00B C02H C03Q C04C 172.9(4) .
P00C C00K C00N C01K -177.5(3) .
P00C C00K C01H C01U 178.5(3) .
P00C C01N C02T C04A -176.7(4) .
P00C C01N C03E C03J 177.9(4) .
P00D C01B C01R C03K -179.8(4) .
P00D C01B C01T C01Y -178.9(4) .
P00D C01L C01V C03C 174.0(4) .
P00D C01L C02E C03A -173.9(4) .
P00E C01A C03W C04E -177.6(4) .
P00E C01A C03Y C04J 178.5(4) .
P00E C03O C04L C04O 175.5(5) .
P00F C02F C02M C041 -173.1(4) .
P00F C02F C038 C04D 173.6(4) .
P00F C02G C03U C04K 175.7(4) .
P00F C02G C043 C04I -176.0(4) .
C00G P004 C00I Ni01 -96.78(19) .
C00G P004 C00I P006 143.5(3) .
C00G P004 C00L Ni01 83.0(2) .
C00G P004 C00L P007 -73.1(5) .
C00G P004 C00W C01P 0.0(4) .
C00G P004 C00W C02D 176.7(3) .
C00G C011 C03V C03I 0.4(8) .
C00G C01E C03S C03I -0.1(8) .
C00H P005 C00M P007 116.0(3) .
C00H P005 C016 C02A -21.3(4) .
C00H P005 C016 C02K 159.9(4) .
C00H C010 C030 C03X 0.6(7) .
C00H C017 C03G C03X 1.3(8) .
C00I P004 C00G C011 -56.2(4) .
C00I P004 C00G C01E 123.2(4) .
C00I P004 C00L Ni01 -25.0(2) .
C00I P004 C00L P007 178.9(5) .
C00I P004 C00W C01P 112.8(4) .
C00I P004 C00W C02D -70.5(4) .
C00I P006 C00O C00U -48.9(4) .
C00I P006 C00O C01M 132.1(4) .
C00I P006 C00X C01I -22.7(5) .
C00I P006 C00X C026 159.2(4) .
C00J P00B C013 Ni03 -139.7(2) .
C00J P00B C013 P00D -17.7(5) .
C00J P00B C020 Ni03 142.66(19) .
C00J P00B C020 P00F -66.6(5) .
C00J P00B C02H C02S -60.7(4) .
C00J P00B C02H C03Q 127.9(4) .
C00J C01W C03F C03H -0.8(7) .
C00J C02B C03Z C03H 0.3(8) .
C00K P00C C00Z Ni02 -134.5(2) .
C00K P00C C00Z P00A -10.0(5) .
C00K P00C C01N C02T -70.0(4) .
C00K P00C C01N C03E 113.4(4) .
C00K P00C C01X Ni02 138.3(2) .
C00K P00C C01X P009 -58.7(5) .
C00K C00N C01K C02R -0.7(7) .
C00K C01H C01U C02R -1.0(7) .
C00L P004 C00G C011 -161.0(4) .
C00L P004 C00G C01E 18.4(5) .
C00L P004 C00I Ni01 23.8(2) .
C00L P004 C00I P006 -95.9(3) .
C00L P004 C00W C01P -130.1(4) .
C00L P004 C00W C02D 46.6(4) .
C00L P007 C00M P005 12.5(3) .
C00L P007 C00P C00Y -36.8(5) .
C00L P007 C00P C03L 142.0(4) .
C00L P007 C00T C01G -110.4(4) .
C00L P007 C00T C025 67.3(4) .
C00M P005 C00H C010 -100.0(4) .
C00M P005 C00H C017 70.2(4) .
C00M P005 C016 C02A -133.1(4) .
C00M P005 C016 C02K 48.1(4) .
C00M P007 C00L Ni01 -13.7(3) .
C00M P007 C00L P004 137.9(5) .
C00M P007 C00P C00Y -158.3(4) .
C00M P007 C00P C03L 20.5(4) .
C00M P007 C00T C01G 7.6(4) .
C00M P007 C00T C025 -174.7(3) .
C00N C00K C01H C01U 0.0(7) .
C00N C01K C02R C01U -0.2(7) .
C00O P006 C00I Ni01 -145.7(2) .
C00O P006 C00I P004 -40.8(4) .
C00O P006 C00X C01I 90.2(4) .
C00O P006 C00X C026 -88.0(4) .
C00O C00U C037 C039 0.2(7) .
C00O C01M C032 C039 -0.4(7) .
C00P P007 C00L Ni01 -137.8(2) .
C00P P007 C00L P004 13.8(6) .
C00P P007 C00M P005 139.0(2) .
C00P P007 C00T C01G 126.1(4) .
C00P P007 C00T C025 -56.1(4) .
C00P C00Y C015 C035 0.1(7) .
C00P C03L C040 C035 0.2(9) .
C00Q P009 C00S C01C 159.2(4) .
C00Q P009 C00S C01O -21.3(5) .
C00Q P009 C01Q P008 -144.5(2) .
C00Q P009 C01X Ni02 129.3(3) .
C00Q P009 C01X P00C -30.3(5) .
C00Q C018 C02L C048 0.6(7) .
C00Q C02J C03R C048 2.2(7) .
C00R P008 C012 C02P 98.5(4) .
C00R P008 C012 C02U -81.9(4) .
C00R P008 C01Q P009 155.2(3) .
C00R C022 C027 C01Z -1.3(7) .
C00R C023 C02W C01Z -1.2(7) .
C00S P009 C00Q C018 -53.8(4) .
C00S P009 C00Q C02J 128.4(4) .
C00S P009 C01Q P008 100.7(3) .
C00S P009 C01X Ni02 -116.9(3) .
C00S P009 C01X P00C 83.5(5) .
C00S C01C C01S C034 0.4(8) .
C00S C01O C033 C034 -2.5(8) .
C00T P007 C00L Ni01 106.8(3) .
C00T P007 C00L P004 -101.5(5) .
C00T P007 C00M P005 -108.3(3) .
C00T P007 C00P C00Y 83.7(4) .
C00T P007 C00P C03L -97.5(4) .
C00T C01G C01J C028 -0.8(7) .
C00U C00O C01M C032 0.3(6) .
C00U C037 C039 C032 -0.3(7) .
C00V C021 C02I C02Z 2.5(7) .
C00V C02Q C03D C02Z -0.1(7) .
C00W P004 C00G C011 69.7(4) .
C00W P004 C00G C01E -110.9(4) .
C00W P004 C00I Ni01 150.49(19) .
C00W P004 C00I P006 30.8(4) .
C00W P004 C00L Ni01 -154.68(18) .
C00W P004 C00L P007 49.2(5) .
C00W C01P C02V C029 -0.5(7) .
C00X P006 C00I Ni01 -36.4(3) .
C00X P006 C00I P004 68.4(4) .
C00X P006 C00O C00U -167.5(3) .
C00X P006 C00O C01M 13.5(4) .
C00X C026 C02Y C02C 2.9(8) .
C00Y C00P C03L C040 -1.2(8) .
C00Y C015 C035 C040 -1.2(8) .
C00Z P00A C019 C024 88.1(4) .
C00Z P00A C019 C02N -84.4(4) .
C00Z P00A C021 C00V -52.0(4) .
C00Z P00A C021 C02I 138.5(4) .
C00Z P00C C00K C00N -105.5(4) .
C00Z P00C C00K C01H 76.2(4) .
C00Z P00C C01N C02T 56.1(4) .
C00Z P00C C01N C03E -120.5(4) .
C00Z P00C C01X Ni02 12.0(2) .
C00Z P00C C01X P009 175.1(4) .
C010 C00H C017 C03G -2.3(7) .
C010 C030 C03X C03G -1.6(8) .
C011 C00G C01E C03S -0.4(7) .
C012 P008 C00R C022 -170.8(3) .
C012 P008 C00R C023 11.0(4) .
C012 P008 C01Q P009 -97.3(3) .
C012 C02P C047 C036 -1.2(9) .
C012 C02U C03P C036 -0.4(8) .
C013 P00B C00J C01W 75.8(4) .
C013 P00B C00J C02B -101.8(4) .
C013 P00B C020 Ni03 15.5(2) .
C013 P00B C020 P00F 166.2(4) .
C013 P00B C02H C02S 64.0(4) .
C013 P00B C02H C03Q -107.5(4) .
C013 P00D C01B C01R 92.8(4) .
C013 P00D C01B C01T -83.9(4) .
C013 P00D C01L C01V 136.2(4) .
C013 P00D C01L C02E -51.3(4) .
C014 C029 C02V C01P 1.3(8) .
C015 C035 C040 C03L 1.0(9) .
C016 P005 C00H C010 148.1(3) .
C016 P005 C00H C017 -41.7(4) .
C016 P005 C00M P007 -132.0(3) .
C016 C02A C02X C03B 0.7(7) .
C016 C02K C044 C03B 0.5(8) .
C017 C00H C010 C030 1.3(7) .
C017 C03G C03X C030 0.7(8) .
C018 C00Q C02J C03R -0.5(7) .
C018 C02L C048 C03R 1.1(7) .
C019 P00A C00Z Ni02 176.4(2) .
C019 P00A C00Z P00C 64.2(4) .
C019 P00A C021 C00V -160.2(3) .
C019 P00A C021 C02I 30.2(5) .
C019 C024 C03N C042 -0.1(8) .
C019 C02N C02O C042 -2.0(7) .
C01A P00E C03O C03M -72.8(5) .
C01A P00E C03O C04L 110.7(5) .
C01A P00E C049 P00F 156.7(3) .
C01A C03W C04E C04B -1.8(7) .
C01A C03Y C04J C04B 0.2(8) .
C01B P00D C013 Ni03 177.3(3) .
C01B P00D C013 P00B 68.4(4) .
C01B P00D C01L C01V 24.7(4) .
C01B P00D C01L C02E -162.8(3) .
C01B C01R C03K C031 -0.4(7) .
C01B C01T C01Y C031 -2.9(7) .
C01C C00S C01O C033 -0.4(7) .
C01C C01S C034 C033 -3.2(8) .
C01D C02C C02Y C026 -1.3(8) .
C01E C00G C011 C03V 0.2(7) .
C01G C00T C025 C01F 0.6(6) .
C01G C01J C028 C01F 0.2(7) .
C01H C00K C00N C01K 0.8(7) .
C01H C01U C02R C01K 1.1(7) .
C01I C00X C026 C02Y -3.6(7) .
C01I C01D C02C C02Y 0.6(8) .
C01L P00D C013 Ni03 63.5(3) .
C01L P00D C013 P00B -45.4(4) .
C01L P00D C01B C01R -154.1(4) .
C01L P00D C01B C01T 29.1(5) .
C01L C01V C03C C03T -0.7(7) .
C01L C02E C03A C03T -0.1(7) .
C01M C00O C00U C037 -0.2(6) .
C01M C032 C039 C037 0.4(7) .
C01N P00C C00K C00N 9.9(4) .
C01N P00C C00K C01H -168.4(3) .
C01N P00C C00Z Ni02 109.6(2) .
C01N P00C C00Z P00A -125.9(4) .
C01N P00C C01X Ni02 -96.6(2) .
C01N P00C C01X P009 66.4(5) .
C01N C02T C04A C04F -2.0(8) .
C01N C03E C03J C04F -0.2(8) .
C01O C00S C01C C01S 1.4(7) .
C01O C033 C034 C01S 4.3(8) .
C01P C00W C02D C014 -1.2(6) .
C01Q P008 C00R C022 -56.8(4) .
C01Q P008 C00R C023 124.9(4) .
C01Q P008 C012 C02P -11.0(5) .
C01Q P008 C012 C02U 168.5(4) .
C01Q P009 C00Q C018 -175.0(4) .
C01Q P009 C00Q C02J 7.2(4) .
C01Q P009 C00S C01C -79.4(4) .
C01Q P009 C00S C01O 100.1(5) .
C01Q P009 C01X Ni02 5.0(4) .
C01Q P009 C01X P00C -154.6(4) .
C01R C01B C01T C01Y 4.5(7) .
C01T C01B C01R C03K -2.8(7) .
C01T C01Y C031 C03K -0.4(8) .
C01V C01L C02E C03A -0.9(7) .
C01V C03C C03T C03A -0.4(8) .
C01W C00J C02B C03Z -3.1(7) .
C01W C03F C03H C03Z -2.0(7) .
C01X P009 C00Q C018 64.9(4) .
C01X P009 C00Q C02J -112.9(4) .
C01X P009 C00S C01C 37.9(5) .
C01X P009 C00S C01O -142.6(4) .
C01X P009 C01Q P008 -19.6(3) .
C01X P00C C00K C00N 142.0(4) .
C01X P00C C00K C01H -36.3(4) .
C01X P00C C00Z Ni02 -11.6(2) .
C01X P00C C00Z P00A 112.9(4) .
C01X P00C C01N C02T 160.0(4) .
C01X P00C C01N C03E -16.6(5) .
C01Y C031 C03K C01R 2.1(8) .
C020 P00B C00J C01W -38.8(4) .
C020 P00B C00J C02B 143.6(4) .
C020 P00B C013 Ni03 -14.9(2) .
C020 P00B C013 P00D 107.1(4) .
C020 P00B C02H C02S 167.3(4) .
C020 P00B C02H C03Q -4.1(5) .
C020 P00F C02F C02M -157.5(4) .
C020 P00F C02F C038 30.5(5) .
C020 P00F C02G C03U -110.9(4) .
C020 P00F C02G C043 64.7(5) .
C020 P00F C049 P00E -16.5(4) .
C021 P00A C00Z Ni02 64.2(3) .
C021 P00A C00Z P00C -48.1(4) .
C021 P00A C019 C024 -160.0(3) .
C021 P00A C019 C02N 27.4(5) .
C021 C00V C02Q C03D 1.2(7) .
C021 C02I C02Z C03D -1.5(8) .
C022 C00R C023 C02W -0.1(7) .
C023 C00R C022 C027 1.3(7) .
C024 C019 C02N C02O 3.0(7) .
C024 C03N C042 C02O 1.2(8) .
C025 C00T C01G C01J 0.4(6) .
C025 C01F C028 C01J 0.8(7) .
C026 C00X C01I C01D 2.8(7) .
C027 C01Z C02W C023 1.3(7) .
C028 C01F C025 C00T -1.2(7) .
C029 C014 C02D C00W 2.1(7) .
C02A C016 C02K C044 -0.1(7) .
C02A C02X C03B C044 -0.3(8) .
C02B C00J C01W C03F 3.4(7) .
C02C C01D C01I C00X -1.4(7) .
C02D C00W C01P C02V 0.4(7) .
C02D C014 C029 C02V -2.2(8) .
C02E C01L C01V C03C 1.4(7) .
C02E C03A C03T C03C 0.9(8) .
C02F P00F C020 Ni03 -124.1(3) .
C02F P00F C020 P00B 92.2(5) .
C02F P00F C02G C03U 128.7(4) .
C02F P00F C02G C043 -55.7(5) .
C02F P00F C049 P00E 104.3(4) .
C02F C02M C041 C045 1.2(8) .
C02F C038 C04D C045 -1.3(8) .
C02G P00F C020 Ni03 121.1(3) .
C02G P00F C020 P00B -22.6(5) .
C02G P00F C02F C02M -35.3(5) .
C02G P00F C02F C038 152.6(4) .
C02G P00F C049 P00E -141.3(3) .
C02G C03U C04K C04M 0.9(9) .
C02G C043 C04I C04M -0.2(9) .
C02H P00B C00J C01W -172.4(3) .
C02H P00B C00J C02B 10.0(4) .
C02H P00B C013 Ni03 106.1(2) .
C02H P00B C013 P00D -131.9(4) .
C02H P00B C020 Ni03 -90.4(2) .
C02H P00B C020 P00F 60.4(5) .
C02H C02S C046 C04H 1.6(8) .
C02H C03Q C04C C04H 1.3(8) .
C02I C02Z C03D C02Q 0.3(8) .
C02J C00Q C018 C02L -0.8(7) .
C02J C03R C048 C02L -2.5(8) .
C02K C016 C02A C02X -0.5(7) .
C02M C02F C038 C04D 1.0(8) .
C02M C041 C045 C04D -1.4(9) .
C02N C019 C024 C03N -2.0(7) .
C02N C02O C042 C03N -0.1(8) .
C02P C012 C02U C03P -2.0(7) .
C02Q C00V C021 P00A -172.7(4) .
C02Q C00V C021 C02I -2.4(7) .
C02S C02H C03Q C04C 1.2(7) .
C02S C046 C04H C04C 0.9(9) .
C02T C01N C03E C03J 1.1(7) .
C02T C04A C04F C03J 2.9(9) .
C02U C012 C02P C047 2.8(8) .
C02W C01Z C027 C022 -0.1(7) .
C02X C03B C044 C02K -0.3(8) .
C038 C02F C02M C041 -1.0(8) .
C03E C01N C02T C04A 0.0(7) .
C03E C03J C04F C04A -1.8(8) .
C03F C03H C03Z C02B 2.3(8) .
C03L C00P C00Y C015 1.1(7) .
C03M C03O C04L C04O -1.2(9) .
C03M C04G C04N C04O 0.1(10) .
C03O P00E C01A C03W 177.5(4) .
C03O P00E C01A C03Y -3.1(5) .
C03O P00E C049 P00F -93.1(4) .
C03O C03M C04G C04N -1.2(9) .
C03O C04L C04O C04N 0.2(10) .
C03P C036 C047 C02P -1.2(8) .
C03Q C02H C02S C046 -2.6(7) .
C03Q C04C C04H C046 -2.3(9) .
C03S C03I C03V C011 -0.9(8) .
C03U C02G C043 C04I -0.3(8) .
C03U C04K C04M C04I -1.4(10) .
C03V C03I C03S C01E 0.8(8) .
C03W C01A C03Y C04J -2.1(7) .
C03Y C01A C03W C04E 2.9(7) .
C041 C045 C04D C038 1.4(9) .
C043 C02G C03U C04K 0.0(8) .
C043 C04I C04M C04K 1.1(9) .
C047 C036 C03P C02U 2.0(8) .
C049 P00E C01A C03W -67.4(4) .
C049 P00E C01A C03Y 112.0(5) .
C049 P00E C03O C03M 175.5(4) .
C049 P00E C03O C04L -1.0(5) .
C049 P00F C020 Ni03 -3.0(4) .
C049 P00F C020 P00B -146.7(4) .
C049 P00F C02F C02M 85.8(5) .
C049 P00F C02F C038 -86.2(5) .
C049 P00F C02G C03U 8.5(5) .
C049 P00F C02G C043 -175.9(4) .
C04E C04B C04J C03Y 0.9(9) .
C04G C03M C03O P00E -174.9(5) .
C04G C03M C03O C04L 1.7(8) .
C04G C04N C04O C04L 0.4(11) .
C04J C04B C04E C03W -0.1(8) .
C04V C04X C04Z O04Q 37.5(12) .
C04X C04V C04Y O04Q -9.6(15) .
C04Y O04Q C04Z C04X -39.7(10) .
C04Y C04V C04X C04Z -18.9(14) .
C04Z O04Q C04Y C04V 29.6(10) .
C6 C8 C10 C11 -178.6(8) .
C7 C6 C8 C10 -176.2(7) .
C8 C6 C7 C9 -170.1(8) .
