#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/14/4341439.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_4341439
loop_
_publ_author_name
'Konarev, Dmitri V.'
'Khasanov, Salavat S.'
'Nakano, Yoshiaki'
'Otsuka, Akihiro'
'Yamochi, Hideki'
'Saito, Gunzi'
'Lyubovskaya, Rimma N.'
_publ_section_title
;
 Linear Coordination Fullerene C60 Polymer
 [{Ni(Me3P)2}(μ-η(2),η(2)-C60)]∞ Bridged by Zerovalent Nickel
 Atoms.
;
_journal_name_full               'Inorganic chemistry'
_journal_page_first              141104155337006
_journal_paper_doi               10.1021/ic501551y
_journal_year                    2014
_chemical_formula_moiety         'C66 H18 P2 Ni1'
_chemical_formula_structural     'C60 Ni(P(CH3)3)2'
_chemical_formula_sum            'C66 H18 Ni P2'
_chemical_formula_weight         931.45
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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-2013
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 111.914(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            8
_cell_length_a                   19.761(5)
_cell_length_b                   19.351(5)
_cell_length_c                   19.762(5)
_cell_measurement_reflns_used    8156
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      3
_cell_volume                     7011(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    WinGX
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0914
_diffrn_reflns_av_unetI/netI     0.1200
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            60708
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.384
_diffrn_reflns_theta_min         1.244
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.703
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_description       plate
_exptl_crystal_F_000             3776
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.040
_exptl_transmission_factor_max   0.86
_exptl_transmission_factor_min   0.75
_refine_diff_density_max         1.116
_refine_diff_density_min         -0.715
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2316
_refine_ls_number_reflns         18211
_refine_ls_number_restraints     5646
_refine_ls_restrained_S_all      0.894
_refine_ls_R_factor_all          0.1849
_refine_ls_R_factor_gt           0.0742
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0914P)²+17.2926P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1674
_refine_ls_wR_factor_ref         0.2222
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8540
_reflns_number_total             18211
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic501551y_si_003.cif
_cod_data_source_block           Ni(CH3)3P_C60_polymer_100K
_cod_original_formula_sum        'C66 H18 Ni1 P2'
_cod_database_code               4341439
#BEGIN Tags that were not found in dictionaries:
_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.
;
_shelx_estimated_absorpt_t_min   0.766
_shelx_estimated_absorpt_t_max   0.972
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.37293(5) 0.25015(9) 0.87007(5) 0.00852(16) Uani 1 1 d . U . . .
P1 P 0.36101(17) 0.25478(15) 0.75165(16) 0.0114(5) Uani 1 1 d . U . . .
P2 P 0.25273(16) 0.24489(15) 0.85582(16) 0.0113(5) Uani 1 1 d . U . . .
C11 C 0.3074(7) 0.1866(6) 0.6936(6) 0.026(2) Uani 1 1 d . U . . .
H11A H 0.3240 0.1417 0.7170 0.039 Uiso 1 1 calc R U . . .
H11B H 0.3133 0.1879 0.6466 0.039 Uiso 1 1 calc R U . . .
H11C H 0.2559 0.1931 0.6859 0.039 Uiso 1 1 calc R U . . .
C12 C 0.4449(6) 0.2477(6) 0.7344(6) 0.019(2) Uani 1 1 d . U . . .
H12A H 0.4801 0.2820 0.7637 0.028 Uiso 1 1 calc R U . . .
H12B H 0.4345 0.2559 0.6825 0.028 Uiso 1 1 calc R U . . .
H12C H 0.4654 0.2012 0.7476 0.028 Uiso 1 1 calc R U . . .
C13 C 0.3182(7) 0.3288(5) 0.6951(6) 0.0186(19) Uani 1 1 d . U . . .
H13A H 0.3422 0.3713 0.7192 0.028 Uiso 1 1 calc R U . . .
H13B H 0.2664 0.3303 0.6880 0.028 Uiso 1 1 calc R U . . .
H13C H 0.3229 0.3245 0.6477 0.028 Uiso 1 1 calc R U . . .
C14 C 0.1949(6) 0.3134(6) 0.7986(6) 0.020(2) Uani 1 1 d . U . . .
H14A H 0.2004 0.3143 0.7514 0.030 Uiso 1 1 calc R U . . .
H14B H 0.2095 0.3581 0.8229 0.030 Uiso 1 1 calc R U . . .
H14C H 0.1437 0.3042 0.7910 0.030 Uiso 1 1 calc R U . . .
C15 C 0.2359(7) 0.2538(6) 0.9410(6) 0.019(2) Uani 1 1 d . U . . .
H15A H 0.2641 0.2190 0.9761 0.029 Uiso 1 1 calc R U . . .
H15B H 0.1838 0.2472 0.9307 0.029 Uiso 1 1 calc R U . . .
H15C H 0.2507 0.3001 0.9614 0.029 Uiso 1 1 calc R U . . .
C16 C 0.1925(6) 0.1714(6) 0.8116(6) 0.019(2) Uani 1 1 d . U . . .
H16A H 0.2154 0.1281 0.8346 0.029 Uiso 1 1 calc R U . . .
H16B H 0.1847 0.1704 0.7596 0.029 Uiso 1 1 calc R U . . .
H16C H 0.1455 0.1769 0.8171 0.029 Uiso 1 1 calc R U . . .
Ni2 Ni 0.13034(6) 0.74982(10) 0.12545(5) 0.01376(19) Uani 1 1 d . U . . .
P3 P 0.14322(18) 0.75566(16) 0.24510(17) 0.0167(5) Uani 1 1 d . U . . .
P4 P 0.24912(17) 0.74574(16) 0.13688(17) 0.0157(5) Uani 1 1 d . U . . .
C21 C 0.1849(7) 0.8301(6) 0.3013(6) 0.023(2) Uani 1 1 d . U . . .
H21A H 0.2316 0.8404 0.2967 0.034 Uiso 1 1 calc R U . . .
H21B H 0.1933 0.8199 0.3523 0.034 Uiso 1 1 calc R U . . .
H21C H 0.1524 0.8701 0.2850 0.034 Uiso 1 1 calc R U . . .
C22 C 0.0613(6) 0.7469(6) 0.2644(6) 0.020(2) Uani 1 1 d . U . . .
H22A H 0.0322 0.7084 0.2361 0.030 Uiso 1 1 calc R U . . .
H22B H 0.0328 0.7897 0.2510 0.030 Uiso 1 1 calc R U . . .
H22C H 0.0744 0.7380 0.3165 0.030 Uiso 1 1 calc R U . . .
C23 C 0.1996(8) 0.6880(7) 0.3031(7) 0.035(3) Uani 1 1 d . U . . .
H23A H 0.2471 0.6872 0.2982 0.052 Uiso 1 1 calc R U . . .
H23B H 0.1755 0.6432 0.2883 0.052 Uiso 1 1 calc R U . . .
H23C H 0.2065 0.6972 0.3540 0.052 Uiso 1 1 calc R U . . .
C24 C 0.3099(6) 0.6737(6) 0.1810(7) 0.025(2) Uani 1 1 d . U . . .
H24A H 0.2873 0.6301 0.1587 0.037 Uiso 1 1 calc R U . . .
H24B H 0.3183 0.6731 0.2331 0.037 Uiso 1 1 calc R U . . .
H24C H 0.3565 0.6795 0.1748 0.037 Uiso 1 1 calc R U . . .
C25 C 0.2615(7) 0.7520(6) 0.0492(6) 0.024(2) Uani 1 1 d . U . . .
H25A H 0.2326 0.7160 0.0160 0.036 Uiso 1 1 calc R U . . .
H25B H 0.3132 0.7456 0.0573 0.036 Uiso 1 1 calc R U . . .
H25C H 0.2454 0.7975 0.0275 0.036 Uiso 1 1 calc R U . . .
C26 C 0.3069(7) 0.8156(7) 0.1918(8) 0.035(3) Uani 1 1 d . U . . .
H26A H 0.3029 0.8170 0.2397 0.053 Uiso 1 1 calc R U . . .
H26B H 0.2909 0.8599 0.1669 0.053 Uiso 1 1 calc R U . . .
H26C H 0.3578 0.8072 0.1980 0.053 Uiso 1 1 calc R U . . .
C101 C 0.3919(2) 0.3412(2) 0.9317(2) 0.0087(10) Uani 0.631(6) 1 d D U P A 1
C102 C 0.4494(2) 0.3336(2) 0.9025(2) 0.0088(10) Uani 0.631(6) 1 d D U P A 1
C103 C 0.4529(3) 0.3856(2) 0.8491(2) 0.0086(12) Uani 0.631(6) 1 d D U P A 1
C104 C 0.4017(3) 0.4368(2) 0.8224(2) 0.0092(13) Uani 0.631(6) 1 d D U P A 1
C105 C 0.3444(3) 0.4448(2) 0.8516(3) 0.0090(13) Uani 0.631(6) 1 d D U P A 1
C106 C 0.3419(2) 0.4012(2) 0.9057(2) 0.0080(12) Uani 0.631(6) 1 d D U P A 1
C107 C 0.4135(3) 0.3419(2) 1.0122(2) 0.0073(12) Uani 0.631(6) 1 d D U P A 1
C108 C 0.4850(3) 0.3305(3) 1.0584(2) 0.0067(13) Uani 0.631(6) 1 d D U P A 1
C109 C 0.5416(2) 0.3226(3) 1.0298(2) 0.0078(13) Uani 0.631(6) 1 d D U P A 1
C110 C 0.5253(2) 0.3266(2) 0.9549(2) 0.0080(12) Uani 0.631(6) 1 d D U P A 1
C111 C 0.5732(2) 0.3652(3) 0.9280(3) 0.0086(13) Uani 0.631(6) 1 d D U P A 1
C112 C 0.5296(3) 0.4007(3) 0.8640(3) 0.0084(13) Uani 0.631(6) 1 d D U P A 1
C113 C 0.3263(3) 0.4286(2) 0.9666(3) 0.0089(13) Uani 0.631(6) 1 d D U P A 1
C114 C 0.3695(3) 0.3929(3) 1.0311(3) 0.0084(13) Uani 0.631(6) 1 d D U P A 1
C115 C 0.3992(3) 0.4279(3) 1.0983(3) 0.0078(14) Uani 0.631(6) 1 d D U P A 1
C116 C 0.4719(3) 0.4143(4) 1.1463(3) 0.0085(15) Uani 0.631(6) 1 d D U P A 1
C117 C 0.5148(3) 0.3675(3) 1.1272(2) 0.0080(14) Uani 0.631(6) 1 d D U P A 1
C118 C 0.5900(3) 0.3824(4) 1.1407(3) 0.0077(14) Uani 0.631(6) 1 d D U P A 1
C119 C 0.6075(3) 0.3550(3) 1.0808(3) 0.0072(14) Uani 0.631(6) 1 d D U P A 1
C120 C 0.6541(3) 0.3900(5) 1.0547(3) 0.0083(15) Uani 0.631(6) 1 d D U P A 1
C121 C 0.6373(3) 0.3954(4) 0.9782(3) 0.0080(11) Uani 0.631(6) 1 d D U P A 1
C122 C 0.5490(3) 0.4673(3) 0.8478(5) 0.0092(15) Uani 0.631(6) 1 d D U P A 1
C123 C 0.4958(4) 0.5193(3) 0.8214(5) 0.0098(15) Uani 0.631(6) 1 d D U P A 1
C124 C 0.4238(3) 0.5058(3) 0.8079(3) 0.0099(14) Uani 0.631(6) 1 d D U P A 1
C125 C 0.3781(4) 0.5548(3) 0.8268(5) 0.0108(15) Uani 0.631(6) 1 d D U P A 1
C126 C 0.3300(3) 0.5183(3) 0.8544(3) 0.0097(14) Uani 0.631(6) 1 d D U P A 1
C127 C 0.3135(5) 0.5443(3) 0.9118(4) 0.0095(15) Uani 0.631(6) 1 d D U P A 1
C128 C 0.3112(3) 0.5001(3) 0.9682(3) 0.0094(14) Uani 0.631(6) 1 d D U P A 1
C129 C 0.3419(5) 0.5357(3) 1.0383(4) 0.0098(16) Uani 0.631(6) 1 d D U P A 1
C130 C 0.3828(4) 0.5022(3) 1.0990(3) 0.0092(15) Uani 0.631(6) 1 d D U P A 1
C201 C 0.4522(3) 0.3302(3) 0.9088(3) 0.0080(11) Uani 0.369(6) 1 d D U P A 2
C202 C 0.3869(3) 0.3454(3) 0.9241(3) 0.0077(11) Uani 0.369(6) 1 d D U P A 2
C203 C 0.3949(3) 0.3505(3) 1.0014(3) 0.0061(15) Uani 0.369(6) 1 d D U P A 2
C204 C 0.4595(3) 0.3371(3) 1.0583(3) 0.0076(16) Uani 0.369(6) 1 d D U P A 2
C205 C 0.5250(3) 0.3227(3) 1.0432(3) 0.0080(16) Uani 0.369(6) 1 d D U P A 2
C206 C 0.5219(3) 0.3222(3) 0.9724(3) 0.0084(14) Uani 0.369(6) 1 d D U P A 2
C207 C 0.4703(3) 0.3773(3) 0.8586(3) 0.0070(15) Uani 0.369(6) 1 d D U P A 2
C208 C 0.4242(3) 0.4307(3) 0.8232(3) 0.0076(16) Uani 0.369(6) 1 d D U P A 2
C209 C 0.3596(3) 0.4454(3) 0.8377(3) 0.0072(17) Uani 0.369(6) 1 d D U P A 2
C210 C 0.3427(3) 0.4061(3) 0.8884(3) 0.0071(15) Uani 0.369(6) 1 d D U P A 2
C211 C 0.3170(4) 0.4403(4) 0.9397(4) 0.0057(16) Uani 0.369(6) 1 d D U P A 2
C212 C 0.3483(4) 0.4067(4) 1.0079(3) 0.0053(17) Uani 0.369(6) 1 d D U P A 2
C213 C 0.5798(3) 0.3537(3) 0.9548(4) 0.0070(15) Uani 0.369(6) 1 d D U P A 2
C214 C 0.5489(3) 0.3869(3) 0.8859(3) 0.0069(16) Uani 0.369(6) 1 d D U P A 2
C215 C 0.5773(4) 0.4499(4) 0.8726(4) 0.0082(18) Uani 0.369(6) 1 d D U P A 2
C216 C 0.5297(4) 0.5040(4) 0.8347(7) 0.0084(19) Uani 0.369(6) 1 d D U P A 2
C217 C 0.4548(4) 0.4957(4) 0.8109(4) 0.0073(17) Uani 0.369(6) 1 d D U P A 2
C218 C 0.4087(6) 0.5504(3) 0.8182(8) 0.0079(19) Uani 0.369(6) 1 d D U P A 2
C219 C 0.3496(4) 0.5202(3) 0.8351(5) 0.0077(18) Uani 0.369(6) 1 d D U P A 2
C220 C 0.3232(8) 0.5522(4) 0.8830(7) 0.007(2) Uani 0.369(6) 1 d D U P A 2
C221 C 0.3068(8) 0.5127(4) 0.9357(6) 0.0066(19) Uani 0.369(6) 1 d D U P A 2
C222 C 0.3694(6) 0.4442(6) 1.0740(4) 0.007(2) Uani 0.369(6) 1 d D U P A 2
C223 C 0.4354(5) 0.4291(7) 1.1318(5) 0.007(2) Uani 0.369(6) 1 d D U P A 2
C224 C 0.4808(4) 0.3782(5) 1.1252(3) 0.0088(18) Uani 0.369(6) 1 d D U P A 2
C225 C 0.5592(4) 0.3880(7) 1.1501(5) 0.0095(19) Uani 0.369(6) 1 d D U P A 2
C226 C 0.5869(3) 0.3539(5) 1.1008(3) 0.0098(17) Uani 0.369(6) 1 d D U P A 2
C227 C 0.6436(4) 0.3820(7) 1.0844(4) 0.0092(18) Uani 0.369(6) 1 d D U P A 2
C228 C 0.6407(3) 0.3826(4) 1.0116(4) 0.0080(11) Uani 0.369(6) 1 d D U P A 2
C229 C 0.6697(6) 0.4479(6) 0.9970(5) 0.010(2) Uani 0.369(6) 1 d D U P A 2
C230 C 0.6415(6) 0.4786(6) 0.9318(6) 0.008(2) Uani 0.369(6) 1 d D U P A 2
C301 C 0.4106(2) 0.1705(2) 0.9489(2) 0.0091(10) Uani 0.598(9) 1 d D U P A 1
C302 C 0.4272(2) 0.1537(2) 0.8847(2) 0.0088(10) Uani 0.598(9) 1 d D U P A 1
C303 C 0.5048(3) 0.1472(3) 0.8944(3) 0.0105(13) Uani 0.598(9) 1 d D U P A 1
C304 C 0.5610(2) 0.1611(3) 0.9593(3) 0.0096(13) Uani 0.598(9) 1 d D U P A 1
C305 C 0.5446(3) 0.1774(3) 1.0237(3) 0.0085(13) Uani 0.598(9) 1 d D U P A 1
C306 C 0.4734(3) 0.1788(2) 1.0192(2) 0.0085(12) Uani 0.598(9) 1 d D U P A 1
C307 C 0.3590(3) 0.1247(2) 0.9666(3) 0.0087(13) Uani 0.598(9) 1 d D U P A 1
C308 C 0.3234(3) 0.0712(3) 0.9208(3) 0.0087(14) Uani 0.598(9) 1 d D U P A 1
C309 C 0.3390(3) 0.0550(3) 0.8571(3) 0.0080(14) Uani 0.598(9) 1 d D U P A 1
C310 C 0.3913(3) 0.0928(3) 0.8411(2) 0.0084(13) Uani 0.598(9) 1 d D U P A 1
C311 C 0.4432(3) 0.0568(3) 0.8175(3) 0.0083(14) Uani 0.598(9) 1 d D U P A 1
C312 C 0.5117(3) 0.0898(3) 0.8493(3) 0.0074(14) Uani 0.598(9) 1 d D U P A 1
C313 C 0.4543(3) 0.1485(3) 1.0768(2) 0.0087(14) Uani 0.598(9) 1 d D U P A 1
C314 C 0.3852(3) 0.1158(3) 1.0453(3) 0.0075(14) Uani 0.598(9) 1 d D U P A 1
C315 C 0.3709(3) 0.0533(3) 1.0740(3) 0.0083(15) Uani 0.598(9) 1 d D U P A 1
C316 C 0.3326(5) -0.0007(3) 1.0265(4) 0.0089(16) Uani 0.598(9) 1 d D U P A 1
C317 C 0.3094(3) 0.0071(3) 0.9516(3) 0.0084(15) Uani 0.598(9) 1 d D U P A 1
C318 C 0.3153(5) -0.0485(3) 0.9059(4) 0.0076(16) Uani 0.598(9) 1 d D U P A 1
C319 C 0.3348(4) -0.0198(3) 0.8477(4) 0.0079(15) Uani 0.598(9) 1 d D U P A 1
C320 C 0.3835(5) -0.0536(3) 0.8235(6) 0.0080(17) Uani 0.598(9) 1 d D U P A 1
C321 C 0.4383(4) -0.0157(3) 0.8087(5) 0.0073(16) Uani 0.598(9) 1 d D U P A 1
C322 C 0.5774(3) 0.0515(4) 0.8724(4) 0.0085(15) Uani 0.598(9) 1 d D U P A 1
C323 C 0.6340(4) 0.0664(5) 0.9393(4) 0.0062(12) Uani 0.598(9) 1 d D U P A 1
C324 C 0.6276(3) 0.1194(4) 0.9825(3) 0.0072(14) Uani 0.598(9) 1 d D U P A 1
C325 C 0.6520(3) 0.1124(5) 1.0612(3) 0.0080(15) Uani 0.598(9) 1 d D U P A 1
C326 C 0.6013(3) 0.1470(3) 1.0868(3) 0.0070(14) Uani 0.598(9) 1 d D U P A 1
C327 C 0.5835(3) 0.1199(4) 1.1430(3) 0.0056(15) Uani 0.598(9) 1 d D U P A 1
C328 C 0.5102(3) 0.1200(3) 1.1387(3) 0.0069(14) Uani 0.598(9) 1 d D U P A 1
C329 C 0.4946(4) 0.0551(4) 1.1679(4) 0.0069(16) Uani 0.598(9) 1 d D U P A 1
C330 C 0.4294(5) 0.0246(4) 1.1386(4) 0.0062(16) Uani 0.598(9) 1 d D U P A 1
C401 C 0.4166(3) 0.1725(3) 0.9509(3) 0.0078(11) Uani 0.402(9) 1 d D U P A 2
C402 C 0.4222(3) 0.1509(3) 0.8824(3) 0.0071(11) Uani 0.402(9) 1 d D U P A 2
C403 C 0.4959(3) 0.1397(3) 0.8818(3) 0.0066(15) Uani 0.402(9) 1 d D U P A 2
C404 C 0.5585(3) 0.1534(3) 0.9411(4) 0.0072(15) Uani 0.402(9) 1 d D U P A 2
C405 C 0.5532(3) 0.1745(3) 1.0097(3) 0.0069(16) Uani 0.402(9) 1 d D U P A 2
C406 C 0.4858(3) 0.1807(3) 1.0150(3) 0.0072(14) Uani 0.402(9) 1 d D U P A 2
C407 C 0.3690(3) 0.1314(3) 0.9787(3) 0.0056(15) Uani 0.402(9) 1 d D U P A 2
C408 C 0.3271(3) 0.0774(3) 0.9387(4) 0.0046(16) Uani 0.402(9) 1 d D U P A 2
C409 C 0.3319(3) 0.0565(3) 0.8708(3) 0.0050(16) Uani 0.402(9) 1 d D U P A 2
C410 C 0.3796(3) 0.0901(3) 0.8447(3) 0.0060(15) Uani 0.402(9) 1 d D U P A 2
C411 C 0.4230(4) 0.0497(4) 0.8138(4) 0.0046(16) Uani 0.402(9) 1 d D U P A 2
C412 C 0.4934(4) 0.0795(4) 0.8363(4) 0.0049(16) Uani 0.402(9) 1 d D U P A 2
C413 C 0.4749(4) 0.1555(3) 1.0792(3) 0.0076(16) Uani 0.402(9) 1 d D U P A 2
C414 C 0.4042(4) 0.1258(3) 1.0576(3) 0.0069(17) Uani 0.402(9) 1 d D U P A 2
C415 C 0.3920(4) 0.0664(4) 1.0927(4) 0.0061(18) Uani 0.402(9) 1 d D U P A 2
C416 C 0.3471(7) 0.0121(5) 1.0513(4) 0.0062(19) Uani 0.402(9) 1 d D U P A 2
C417 C 0.3162(4) 0.0162(4) 0.9759(4) 0.0052(17) Uani 0.402(9) 1 d D U P A 2
C418 C 0.3153(8) -0.0426(4) 0.9311(6) 0.0051(18) Uani 0.402(9) 1 d D U P A 2
C419 C 0.3241(5) -0.0185(3) 0.8653(4) 0.0053(18) Uani 0.402(9) 1 d D U P A 2
C420 C 0.3637(8) -0.0563(3) 0.8332(7) 0.005(2) Uani 0.402(9) 1 d D U P A 2
C421 C 0.4137(6) -0.0227(4) 0.8074(7) 0.0050(19) Uani 0.402(9) 1 d D U P A 2
C422 C 0.5564(4) 0.0379(5) 0.8530(6) 0.0049(18) Uani 0.402(9) 1 d D U P A 2
C423 C 0.6196(5) 0.0525(6) 0.9144(6) 0.0062(12) Uani 0.402(9) 1 d D U P A 2
C424 C 0.6223(3) 0.1084(5) 0.9579(4) 0.0082(17) Uani 0.402(9) 1 d D U P A 2
C425 C 0.6562(5) 0.1045(7) 1.0368(4) 0.0071(18) Uani 0.402(9) 1 d D U P A 2
C426 C 0.6139(3) 0.1439(4) 1.0691(4) 0.0069(17) Uani 0.402(9) 1 d D U P A 2
C427 C 0.6039(4) 0.1211(7) 1.1313(4) 0.0068(19) Uani 0.402(9) 1 d D U P A 2
C428 C 0.5348(4) 0.1268(4) 1.1373(3) 0.0065(17) Uani 0.402(9) 1 d D U P A 2
C429 C 0.5211(5) 0.0659(6) 1.1739(6) 0.006(2) Uani 0.402(9) 1 d D U P A 2
C430 C 0.4547(6) 0.0377(6) 1.1534(6) 0.006(2) Uani 0.402(9) 1 d D U P A 2
C501 C 0.0675(2) 0.6604(2) 0.1051(2) 0.0128(9) Uani 0.741(5) 1 d D U P B 1
C502 C 0.1018(2) 0.6642(2) 0.0513(2) 0.0123(9) Uani 0.741(5) 1 d D U P B 1
C503 C 0.1549(2) 0.6097(2) 0.0533(2) 0.0110(12) Uani 0.741(5) 1 d D U P B 1
C504 C 0.1769(2) 0.5596(2) 0.1064(3) 0.0129(13) Uani 0.741(5) 1 d D U P B 1
C505 C 0.1426(3) 0.5555(2) 0.1601(2) 0.0129(12) Uani 0.741(5) 1 d D U P B 1
C506 C 0.0884(2) 0.6016(2) 0.1572(2) 0.0119(12) Uani 0.741(5) 1 d D U P B 1
C507 C -0.0134(2) 0.6624(2) 0.0781(2) 0.0136(12) Uani 0.741(5) 1 d D U P B 1
C508 C -0.0550(2) 0.6727(2) 0.0051(2) 0.0145(13) Uani 0.741(5) 1 d D U P B 1
C509 C -0.0214(2) 0.6770(2) -0.0479(2) 0.0151(12) Uani 0.741(5) 1 d D U P B 1
C510 C 0.0540(2) 0.6703(2) -0.0264(2) 0.0143(12) Uani 0.741(5) 1 d D U P B 1
C511 C 0.0836(3) 0.6284(3) -0.0698(2) 0.0154(13) Uani 0.741(5) 1 d D U P B 1
C512 C 0.1447(3) 0.5917(3) -0.0218(2) 0.0147(13) Uani 0.741(5) 1 d D U P B 1
C513 C 0.0239(3) 0.5775(2) 0.1683(3) 0.0142(13) Uani 0.741(5) 1 d D U P B 1
C514 C -0.0378(2) 0.6143(2) 0.1208(3) 0.0149(13) Uani 0.741(5) 1 d D U P B 1
C515 C -0.1057(3) 0.5812(3) 0.0879(3) 0.0148(13) Uani 0.741(5) 1 d D U P B 1
C516 C -0.1490(3) 0.5936(4) 0.0134(3) 0.0160(15) Uani 0.741(5) 1 d D U P B 1
C517 C -0.1247(2) 0.6376(3) -0.0280(3) 0.0157(14) Uani 0.741(5) 1 d D U P B 1
C518 C -0.1336(3) 0.6202(4) -0.1016(3) 0.0158(14) Uani 0.741(5) 1 d D U P B 1
C519 C -0.0699(3) 0.6440(3) -0.1148(2) 0.0157(14) Uani 0.741(5) 1 d D U P B 1
C520 C -0.0411(3) 0.6058(5) -0.1570(3) 0.0169(15) Uani 0.741(5) 1 d D U P B 1
C521 C 0.0359(3) 0.5977(4) -0.1349(3) 0.0159(14) Uani 0.741(5) 1 d D U P B 1
C522 C 0.1597(4) 0.5235(3) -0.0375(3) 0.0137(14) Uani 0.741(5) 1 d D U P B 1
C523 C 0.1821(5) 0.4731(3) 0.0177(3) 0.0180(15) Uani 0.741(5) 1 d D U P B 1
C524 C 0.1909(3) 0.4891(2) 0.0880(3) 0.0142(13) Uani 0.741(5) 1 d D U P B 1
C525 C 0.1664(5) 0.4430(2) 0.1322(4) 0.0164(15) Uani 0.741(5) 1 d D U P B 1
C526 C 0.1362(3) 0.4830(2) 0.1760(3) 0.0154(14) Uani 0.741(5) 1 d D U P B 1
C527 C 0.0753(3) 0.4602(3) 0.1886(5) 0.0162(15) Uani 0.741(5) 1 d D U P B 1
C528 C 0.0185(3) 0.5068(3) 0.1844(3) 0.0171(13) Uani 0.741(5) 1 d D U P B 1
C529 C -0.0522(3) 0.4729(3) 0.1494(5) 0.0165(15) Uani 0.741(5) 1 d D U P B 1
C530 C -0.1105(3) 0.5078(3) 0.1058(4) 0.0181(15) Uani 0.741(5) 1 d D U P B 1
C601 C 0.0790(3) 0.6748(3) 0.0474(4) 0.0105(12) Uani 0.259(5) 1 d D U P B 2
C602 C 0.0815(3) 0.6499(3) 0.1180(3) 0.0102(12) Uani 0.259(5) 1 d D U P B 2
C603 C 0.0112(4) 0.6349(4) 0.1255(4) 0.0093(17) Uani 0.259(5) 1 d D U P B 2
C604 C -0.0551(4) 0.6483(4) 0.0712(4) 0.0086(18) Uani 0.259(5) 1 d D U P B 2
C605 C -0.0577(3) 0.6726(4) 0.0004(4) 0.0081(18) Uani 0.259(5) 1 d D U P B 2
C606 C 0.0060(4) 0.6822(3) -0.0116(4) 0.0100(15) Uani 0.259(5) 1 d D U P B 2
C607 C 0.1233(3) 0.6375(4) 0.0126(4) 0.0100(17) Uani 0.259(5) 1 d D U P B 2
C608 C 0.1698(4) 0.5844(4) 0.0482(4) 0.0100(18) Uani 0.259(5) 1 d D U P B 2
C609 C 0.1729(4) 0.5603(4) 0.1181(4) 0.0086(19) Uani 0.259(5) 1 d D U P B 2
C610 C 0.1281(4) 0.5897(4) 0.1507(3) 0.0093(16) Uani 0.259(5) 1 d D U P B 2
C611 C 0.0907(4) 0.5452(5) 0.1847(5) 0.0085(18) Uani 0.259(5) 1 d D U P B 2
C612 C 0.0202(4) 0.5725(5) 0.1698(5) 0.0097(19) Uani 0.259(5) 1 d D U P B 2
C613 C 0.0108(4) 0.6601(4) -0.0797(3) 0.0102(18) Uani 0.259(5) 1 d D U P B 2
C614 C 0.0816(4) 0.6331(4) -0.0654(3) 0.0098(19) Uani 0.259(5) 1 d D U P B 2
C615 C 0.0918(5) 0.5759(5) -0.1046(4) 0.010(2) Uani 0.259(5) 1 d D U P B 2
C616 C 0.1402(8) 0.5220(6) -0.0677(5) 0.008(2) Uani 0.259(5) 1 d D U P B 2
C617 C 0.1791(5) 0.5255(5) 0.0068(4) 0.009(2) Uani 0.259(5) 1 d D U P B 2
C618 C 0.1896(10) 0.4654(5) 0.0522(6) 0.008(2) Uani 0.259(5) 1 d D U P B 2
C619 C 0.1843(6) 0.4857(4) 0.1208(5) 0.007(2) Uani 0.259(5) 1 d D U P B 2
C620 C 0.1499(9) 0.4438(4) 0.1551(9) 0.005(2) Uani 0.259(5) 1 d D U P B 2
C621 C 0.1024(8) 0.4731(5) 0.1868(10) 0.006(2) Uani 0.259(5) 1 d D U P B 2
C622 C -0.0406(5) 0.5288(7) 0.1574(9) 0.011(2) Uani 0.259(5) 1 d D U P B 2
C623 C -0.1083(6) 0.5442(8) 0.1022(8) 0.011(2) Uani 0.259(5) 1 d D U P B 2
C624 C -0.1167(4) 0.6014(6) 0.0590(5) 0.008(2) Uani 0.259(5) 1 d D U P B 2
C625 C -0.1569(6) 0.5989(9) -0.0193(5) 0.006(2) Uani 0.259(5) 1 d D U P B 2
C626 C -0.1210(3) 0.6417(6) -0.0557(4) 0.007(2) Uani 0.259(5) 1 d D U P B 2
C627 C -0.1171(4) 0.6221(9) -0.1217(5) 0.006(2) Uani 0.259(5) 1 d D U P B 2
C628 C -0.0515(4) 0.6307(6) -0.1344(4) 0.008(2) Uani 0.259(5) 1 d D U P B 2
C629 C -0.0402(5) 0.5711(9) -0.1744(8) 0.009(2) Uani 0.259(5) 1 d D U P B 2
C630 C 0.0267(6) 0.5471(8) -0.1624(8) 0.008(2) Uani 0.259(5) 1 d D U P B 2
C701 C 0.0500(2) 0.8263(2) 0.0810(2) 0.0138(9) Uani 0.888(4) 1 d D U P B 1
C702 C 0.1186(2) 0.8494(2) 0.0766(2) 0.0131(9) Uani 0.888(4) 1 d D U P B 1
C703 C 0.1198(2) 0.8621(2) 0.0033(2) 0.0155(11) Uani 0.888(4) 1 d D U P B 1
C704 C 0.0612(2) 0.8484(2) -0.0599(2) 0.0182(12) Uani 0.888(4) 1 d D U P B 1
C705 C -0.0075(2) 0.8260(2) -0.0556(2) 0.0188(12) Uani 0.888(4) 1 d D U P B 1
C706 C -0.0135(2) 0.8183(2) 0.0112(2) 0.0167(11) Uani 0.888(4) 1 d D U P B 1
C707 C 0.0210(2) 0.8657(2) 0.1289(2) 0.0160(11) Uani 0.888(4) 1 d D U P B 1
C708 C 0.0603(2) 0.9193(2) 0.1722(2) 0.0160(11) Uani 0.888(4) 1 d D U P B 1
C709 C 0.1282(2) 0.9417(2) 0.1686(2) 0.0168(12) Uani 0.888(4) 1 d D U P B 1
C710 C 0.1551(2) 0.9100(2) 0.1203(2) 0.0139(11) Uani 0.888(4) 1 d D U P B 1
C711 C 0.1853(3) 0.9524(2) 0.0778(3) 0.0166(12) Uani 0.888(4) 1 d D U P B 1
C712 C 0.1643(3) 0.9234(3) 0.0072(2) 0.0186(12) Uani 0.888(4) 1 d D U P B 1
C713 C -0.0784(2) 0.8421(2) 0.0218(2) 0.0195(12) Uani 0.888(4) 1 d D U P B 1
C714 C -0.0578(2) 0.8708(2) 0.0928(2) 0.0193(12) Uani 0.888(4) 1 d D U P B 1
C715 C -0.0937(2) 0.9295(3) 0.1053(3) 0.0202(13) Uani 0.888(4) 1 d D U P B 1
C716 C -0.0532(3) 0.9834(3) 0.1514(4) 0.0197(14) Uani 0.888(4) 1 d D U P B 1
C717 C 0.0221(3) 0.9795(2) 0.1839(3) 0.0179(12) Uani 0.888(4) 1 d D U P B 1
C718 C 0.0671(3) 1.0389(2) 0.1883(4) 0.0203(13) Uani 0.888(4) 1 d D U P B 1
C719 C 0.1329(3) 1.0165(2) 0.1781(3) 0.0183(13) Uani 0.888(4) 1 d D U P B 1
C720 C 0.1639(4) 1.0563(2) 0.1389(4) 0.0213(14) Uani 0.888(4) 1 d D U P B 1
C721 C 0.1898(4) 1.0247(2) 0.0880(4) 0.0193(14) Uani 0.888(4) 1 d D U P B 1
C722 C 0.1477(4) 0.9657(3) -0.0553(3) 0.0198(14) Uani 0.888(4) 1 d D U P B 1
C723 C 0.0879(4) 0.9503(4) -0.1196(3) 0.0222(14) Uani 0.888(4) 1 d D U P B 1
C724 C 0.0446(3) 0.8940(3) -0.1232(2) 0.0199(13) Uani 0.888(4) 1 d D U P B 1
C725 C -0.0343(3) 0.8978(4) -0.1573(3) 0.0207(14) Uani 0.888(4) 1 d D U P B 1
C726 C -0.0668(3) 0.8567(3) -0.1163(2) 0.0195(13) Uani 0.888(4) 1 d D U P B 1
C727 C -0.1298(3) 0.8779(4) -0.1068(3) 0.0208(14) Uani 0.888(4) 1 d D U P B 1
C728 C -0.1364(2) 0.8708(3) -0.0381(3) 0.0207(13) Uani 0.888(4) 1 d D U P B 1
C729 C -0.1739(3) 0.9310(4) -0.0242(3) 0.0211(14) Uani 0.888(4) 1 d D U P B 1
C730 C -0.1540(4) 0.9586(4) 0.0424(3) 0.0209(14) Uani 0.888(4) 1 d D U P B 1
C801 C 0.0565(5) 0.8368(4) 0.1022(5) 0.0098(13) Uani 0.112(4) 1 d D U P B 2
C802 C 0.1064(5) 0.8395(5) 0.0633(5) 0.0098(13) Uani 0.112(4) 1 d D U P B 2
C803 C 0.0744(5) 0.8364(6) -0.0173(5) 0.0092(18) Uani 0.112(4) 1 d D U P B 2
C804 C 0.0012(5) 0.8265(7) -0.0559(5) 0.009(2) Uani 0.112(4) 1 d D U P B 2
C805 C -0.0488(5) 0.8243(6) -0.0172(5) 0.009(2) Uani 0.112(4) 1 d D U P B 2
C806 C -0.0227(5) 0.8322(5) 0.0575(5) 0.0097(18) Uani 0.112(4) 1 d D U P B 2
C807 C 0.0622(5) 0.8923(5) 0.1561(4) 0.0092(19) Uani 0.112(4) 1 d D U P B 2
C808 C 0.1164(5) 0.9419(6) 0.1730(5) 0.009(2) Uani 0.112(4) 1 d D U P B 2
C809 C 0.1661(5) 0.9441(5) 0.1353(5) 0.009(2) Uani 0.112(4) 1 d D U P B 2
C810 C 0.1597(4) 0.8966(6) 0.0803(5) 0.0092(18) Uani 0.112(4) 1 d D U P B 2
C811 C 0.1665(7) 0.9201(7) 0.0133(6) 0.009(2) Uani 0.112(4) 1 d D U P B 2
C812 C 0.1152(6) 0.8835(8) -0.0457(5) 0.010(2) Uani 0.112(4) 1 d D U P B 2
C813 C -0.0620(5) 0.8747(6) 0.0909(5) 0.010(2) Uani 0.112(4) 1 d D U P B 2
C814 C -0.0109(5) 0.9111(6) 0.1506(5) 0.009(2) Uani 0.112(4) 1 d D U P B 2
C815 C -0.0247(6) 0.9795(7) 0.1661(9) 0.008(2) Uani 0.112(4) 1 d D U P B 2
C816 C 0.0311(8) 1.0302(7) 0.1830(17) 0.008(2) Uani 0.112(4) 1 d D U P B 2
C817 C 0.1007(6) 1.0124(6) 0.1880(8) 0.008(2) Uani 0.112(4) 1 d D U P B 2
C818 C 0.1430(13) 1.0578(6) 0.1616(14) 0.008(2) Uani 0.112(4) 1 d D U P B 2
C819 C 0.1819(8) 1.0165(6) 0.1266(8) 0.009(2) Uani 0.112(4) 1 d D U P B 2
C820 C 0.1889(19) 1.0383(7) 0.0627(12) 0.009(3) Uani 0.112(4) 1 d D U P B 2
C821 C 0.1821(17) 0.9902(9) 0.0059(8) 0.009(2) Uani 0.112(4) 1 d D U P B 2
C822 C 0.0788(9) 0.9159(14) -0.1139(7) 0.008(2) Uani 0.112(4) 1 d D U P B 2
C823 C 0.0032(8) 0.9069(17) -0.1511(11) 0.008(3) Uani 0.112(4) 1 d D U P B 2
C824 C -0.0354(6) 0.8623(11) -0.1253(5) 0.008(2) Uani 0.112(4) 1 d D U P B 2
C825 C -0.1086(7) 0.8784(17) -0.1294(8) 0.007(2) Uani 0.112(4) 1 d D U P B 2
C826 C -0.1167(5) 0.8574(10) -0.0627(5) 0.008(2) Uani 0.112(4) 1 d D U P B 2
C827 C -0.1547(10) 0.8977(16) -0.0307(7) 0.009(3) Uani 0.112(4) 1 d D U P B 2
C828 C -0.1287(5) 0.9057(9) 0.0462(7) 0.009(2) Uani 0.112(4) 1 d D U P B 2
C829 C -0.1433(12) 0.9760(12) 0.0642(14) 0.007(3) Uani 0.112(4) 1 d D U P B 2
C830 C -0.0956(9) 1.0100(9) 0.1208(16) 0.008(3) Uani 0.112(4) 1 d D U P B 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C101 Ni1 C302 133.65(16) . .
C101 Ni1 C301 104.29(15) . .
C302 Ni1 C301 40.32(12) . .
C202 Ni1 C402 140.2(2) . .
C202 Ni1 C401 107.4(2) . .
C402 Ni1 C401 40.17(13) . .
C202 Ni1 C201 40.41(13) . .
C402 Ni1 C201 111.8(2) . .
C401 Ni1 C201 101.9(2) . .
C101 Ni1 C102 40.34(12) . .
C302 Ni1 C102 111.05(15) . .
C301 Ni1 C102 108.26(16) . .
C101 Ni1 P1 119.64(16) . .
C202 Ni1 P1 115.79(19) . .
C302 Ni1 P1 91.62(14) . .
C301 Ni1 P1 131.38(16) . .
C402 Ni1 P1 91.17(16) . .
C401 Ni1 P1 131.34(18) . .
C201 Ni1 P1 97.00(18) . .
C102 Ni1 P1 93.99(15) . .
C101 Ni1 P2 93.51(15) . .
C202 Ni1 P2 92.00(17) . .
C302 Ni1 P2 115.28(15) . .
C301 Ni1 P2 96.99(15) . .
C402 Ni1 P2 112.57(18) . .
C401 Ni1 P2 99.95(17) . .
C201 Ni1 P2 131.79(18) . .
C102 Ni1 P2 130.93(15) . .
P1 Ni1 P2 99.89(6) . .
C11 P1 C12 100.6(6) . .
C11 P1 C13 99.0(6) . .
C12 P1 C13 101.1(5) . .
C11 P1 Ni1 115.9(4) . .
C12 P1 Ni1 116.1(4) . .
C13 P1 Ni1 120.7(4) . .
C14 P2 C15 102.2(5) . .
C14 P2 C16 96.9(6) . .
C15 P2 C16 101.5(5) . .
C14 P2 Ni1 115.0(4) . .
C15 P2 Ni1 114.6(4) . .
C16 P2 Ni1 123.2(4) . .
C802 Ni2 C601 101.7(3) . .
C501 Ni2 C701 101.59(15) . .
C501 Ni2 C702 135.17(15) . .
C701 Ni2 C702 40.34(11) . .
C802 Ni2 C602 135.8(3) . .
C601 Ni2 C602 40.39(14) . .
C501 Ni2 C502 40.43(11) . .
C701 Ni2 C502 107.02(15) . .
C702 Ni2 C502 115.68(12) . .
C802 Ni2 C801 40.25(17) . .
C601 Ni2 C801 106.4(3) . .
C602 Ni2 C801 115.9(3) . .
C802 Ni2 P4 95.0(3) . .
C501 Ni2 P4 120.65(15) . .
C601 Ni2 P4 104.4(2) . .
C701 Ni2 P4 130.94(15) . .
C702 Ni2 P4 90.61(14) . .
C602 Ni2 P4 113.4(2) . .
C502 Ni2 P4 92.26(14) . .
C801 Ni2 P4 129.6(3) . .
C802 Ni2 P3 119.0(3) . .
C501 Ni2 P3 93.95(15) . .
C601 Ni2 P3 129.5(2) . .
C701 Ni2 P3 99.91(15) . .
C702 Ni2 P3 112.08(15) . .
C602 Ni2 P3 89.36(19) . .
C502 Ni2 P3 130.16(15) . .
C801 Ni2 P3 89.3(3) . .
P4 Ni2 P3 100.76(7) . .
C22 P3 C21 100.6(5) . .
C22 P3 C23 100.7(6) . .
C21 P3 C23 98.8(6) . .
C22 P3 Ni2 116.9(4) . .
C21 P3 Ni2 121.4(4) . .
C23 P3 Ni2 114.9(5) . .
C24 P4 C26 97.2(6) . .
C24 P4 C25 101.7(5) . .
C26 P4 C25 103.6(6) . .
C24 P4 Ni2 122.8(4) . .
C26 P4 Ni2 115.1(4) . .
C25 P4 Ni2 113.5(4) . .
C102 C101 C106 117.2(3) . .
C102 C101 C107 117.9(3) . .
C106 C101 C107 104.6(3) . .
C102 C101 Ni1 71.5(2) . .
C106 C101 Ni1 120.3(3) . .
C107 C101 Ni1 123.2(3) . .
C101 C102 C110 118.0(3) . .
C101 C102 C103 117.6(3) . .
C110 C102 C103 104.9(3) . .
C101 C102 Ni1 68.2(2) . .
C110 C102 Ni1 124.1(3) . .
C103 C102 Ni1 121.0(3) . .
C104 C103 C112 119.4(3) . .
C104 C103 C102 122.9(3) . .
C112 C103 C102 108.3(3) . .
C103 C104 C105 119.5(3) . .
C103 C104 C124 120.2(4) . .
C105 C104 C124 108.2(3) . .
C106 C105 C126 120.3(4) . .
C106 C105 C104 120.1(3) . .
C126 C105 C104 108.1(3) . .
C105 C106 C113 120.0(3) . .
C105 C106 C101 122.3(3) . .
C113 C106 C101 108.6(3) . .
C108 C107 C114 120.1(3) . .
C108 C107 C101 121.3(3) . .
C114 C107 C101 108.6(3) . .
C107 C108 C109 120.7(3) . .
C107 C108 C117 119.7(4) . .
C109 C108 C117 108.5(3) . .
C110 C109 C108 120.4(3) . .
C110 C109 C119 120.2(4) . .
C108 C109 C119 107.9(3) . .
C109 C110 C111 119.5(3) . .
C109 C110 C102 121.3(3) . .
C111 C110 C102 109.1(3) . .
C121 C111 C112 120.9(4) . .
C121 C111 C110 119.5(4) . .
C112 C111 C110 108.3(3) . .
C122 C112 C111 121.3(4) . .
C122 C112 C103 119.0(4) . .
C111 C112 C103 108.8(3) . .
C128 C113 C114 121.0(4) . .
C128 C113 C106 119.2(4) . .
C114 C113 C106 108.9(3) . .
C115 C114 C113 120.8(4) . .
C115 C114 C107 119.3(4) . .
C113 C114 C107 108.5(3) . .
C114 C115 C116 120.2(4) . .
C114 C115 C130 117.4(4) . .
C116 C115 C130 110.2(4) . .
C117 C116 C115 120.5(3) . .
C117 C116 C123 118.5(5) . 3_667
C115 C116 C123 107.2(4) . 3_667
C116 C117 C118 121.0(4) . .
C116 C117 C108 120.1(4) . .
C118 C117 C108 107.6(3) . .
C125 C118 C117 120.9(5) 3_667 .
C125 C118 C119 119.0(5) 3_667 .
C117 C118 C119 108.7(3) . .
C120 C119 C118 121.2(4) . .
C120 C119 C109 119.9(4) . .
C118 C119 C109 107.3(3) . .
C119 C120 C121 120.4(3) . .
C119 C120 C127 119.6(5) . 3_667
C121 C120 C127 107.7(6) . 3_667
C111 C121 C120 120.5(4) . .
C111 C121 C129 118.2(5) . 3_667
C120 C121 C129 109.3(6) . 3_667
C123 C122 C112 120.5(4) . .
C123 C122 C130 109.4(6) . 3_667
C112 C122 C130 116.9(5) . 3_667
C124 C123 C122 120.9(4) . .
C124 C123 C116 120.1(5) . 3_667
C122 C123 C116 108.7(6) . 3_667
C123 C124 C125 121.7(4) . .
C123 C124 C104 119.9(4) . .
C125 C124 C104 106.6(3) . .
C118 C125 C126 119.7(5) 3_667 .
C118 C125 C124 117.7(5) 3_667 .
C126 C125 C124 109.7(3) . .
C127 C126 C125 121.3(4) . .
C127 C126 C105 119.7(4) . .
C125 C126 C105 107.4(3) . .
C126 C127 C128 120.5(3) . .
C126 C127 C120 119.2(5) . 3_667
C128 C127 C120 107.8(5) . 3_667
C113 C128 C127 120.2(4) . .
C113 C128 C129 117.6(4) . .
C127 C128 C129 109.7(4) . .
C130 C129 C128 121.3(4) . .
C130 C129 C121 121.0(7) . 3_667
C128 C129 C121 105.5(5) . 3_667
C129 C130 C115 121.7(4) . .
C129 C130 C122 121.8(7) . 3_667
C115 C130 C122 104.4(5) . 3_667
C202 C201 C206 117.3(3) . .
C202 C201 C207 117.8(3) . .
C206 C201 C207 104.6(3) . .
C202 C201 Ni1 68.4(3) . .
C206 C201 Ni1 123.5(3) . .
C207 C201 Ni1 122.2(3) . .
C201 C202 C210 118.1(3) . .
C201 C202 C203 117.6(3) . .
C210 C202 C203 104.9(3) . .
C201 C202 Ni1 71.1(3) . .
C210 C202 Ni1 120.9(3) . .
C203 C202 Ni1 121.9(3) . .
C204 C203 C212 119.4(3) . .
C204 C203 C202 122.8(3) . .
C212 C203 C202 108.3(3) . .
C203 C204 C205 119.5(3) . .
C203 C204 C224 120.2(4) . .
C205 C204 C224 108.1(3) . .
C206 C205 C226 120.2(4) . .
C206 C205 C204 120.1(3) . .
C226 C205 C204 108.2(3) . .
C205 C206 C213 120.1(3) . .
C205 C206 C201 122.3(3) . .
C213 C206 C201 108.6(3) . .
C208 C207 C214 120.2(3) . .
C208 C207 C201 121.3(3) . .
C214 C207 C201 108.7(3) . .
C207 C208 C209 120.8(3) . .
C207 C208 C217 119.7(4) . .
C209 C208 C217 108.5(3) . .
C210 C209 C208 120.3(3) . .
C210 C209 C219 120.1(4) . .
C208 C209 C219 107.9(3) . .
C209 C210 C211 119.5(3) . .
C209 C210 C202 121.4(3) . .
C211 C210 C202 109.1(3) . .
C221 C211 C212 120.7(4) . .
C221 C211 C210 119.6(4) . .
C212 C211 C210 108.3(3) . .
C222 C212 C211 121.2(4) . .
C222 C212 C203 119.0(4) . .
C211 C212 C203 108.8(3) . .
C228 C213 C214 121.0(4) . .
C228 C213 C206 119.2(4) . .
C214 C213 C206 108.9(3) . .
C215 C214 C213 120.8(4) . .
C215 C214 C207 119.2(4) . .
C213 C214 C207 108.4(3) . .
C214 C215 C216 120.3(4) . .
C214 C215 C230 117.5(4) . .
C216 C215 C230 110.3(4) . .
C217 C216 C215 120.6(3) . .
C217 C216 C223 120.4(7) . 3_667
C215 C216 C223 107.3(6) . 3_667
C216 C217 C218 121.1(4) . .
C216 C217 C208 120.1(4) . .
C218 C217 C208 107.6(3) . .
C225 C218 C217 118.6(7) 3_667 .
C225 C218 C219 120.9(7) 3_667 .
C217 C218 C219 108.7(3) . .
C220 C219 C218 121.2(4) . .
C220 C219 C209 119.9(4) . .
C218 C219 C209 107.3(3) . .
C219 C220 C221 120.4(3) . .
C219 C220 C227 117.8(7) . 3_667
C221 C220 C227 109.4(9) . 3_667
C211 C221 C220 120.4(4) . .
C211 C221 C229 118.7(7) . 3_667
C220 C221 C229 107.8(9) . 3_667
C223 C222 C212 120.5(4) . .
C223 C222 C230 109.3(9) . 3_667
C212 C222 C230 117.0(7) . 3_667
C224 C223 C222 120.9(4) . .
C224 C223 C216 116.9(7) . 3_667
C222 C223 C216 108.3(9) . 3_667
C223 C224 C225 121.8(4) . .
C223 C224 C204 119.9(4) . .
C225 C224 C204 106.7(3) . .
C218 C225 C226 118.3(7) 3_667 .
C218 C225 C224 121.1(7) 3_667 .
C226 C225 C224 109.7(3) . .
C227 C226 C225 121.4(4) . .
C227 C226 C205 119.8(4) . .
C225 C226 C205 107.3(4) . .
C226 C227 C228 120.6(3) . .
C226 C227 C220 120.3(7) . 3_667
C228 C227 C220 106.3(6) . 3_667
C213 C228 C227 120.1(4) . .
C213 C228 C229 117.6(4) . .
C227 C228 C229 109.7(4) . .
C230 C229 C221 121.8(11) . 3_667
C230 C229 C228 121.4(4) . .
C221 C229 C228 106.8(7) 3_667 .
C229 C230 C215 121.6(4) . .
C229 C230 C222 120.6(11) . 3_667
C215 C230 C222 104.9(7) . 3_667
C302 C301 C306 117.1(3) . .
C302 C301 C307 117.8(3) . .
C306 C301 C307 104.6(3) . .
C302 C301 Ni1 69.8(2) . .
C306 C301 Ni1 123.4(3) . .
C307 C301 Ni1 121.5(3) . .
C301 C302 C310 118.1(3) . .
C301 C302 C303 117.7(3) . .
C310 C302 C303 104.9(3) . .
C301 C302 Ni1 69.9(2) . .
C310 C302 Ni1 121.0(3) . .
C303 C302 Ni1 122.7(3) . .
C304 C303 C312 119.4(3) . .
C304 C303 C302 122.8(3) . .
C312 C303 C302 108.3(3) . .
C303 C304 C305 119.4(3) . .
C303 C304 C324 120.2(4) . .
C305 C304 C324 108.2(3) . .
C306 C305 C326 120.3(4) . .
C306 C305 C304 120.2(3) . .
C326 C305 C304 108.1(3) . .
C305 C306 C313 120.0(3) . .
C305 C306 C301 122.3(3) . .
C313 C306 C301 108.6(3) . .
C308 C307 C314 120.1(3) . .
C308 C307 C301 121.3(3) . .
C314 C307 C301 108.7(3) . .
C307 C308 C309 120.8(3) . .
C307 C308 C317 119.7(3) . .
C309 C308 C317 108.5(3) . .
C310 C309 C308 120.3(3) . .
C310 C309 C319 120.2(4) . .
C308 C309 C319 107.9(3) . .
C309 C310 C311 119.5(3) . .
C309 C310 C302 121.4(3) . .
C311 C310 C302 109.1(3) . .
C321 C311 C312 120.8(4) . .
C321 C311 C310 119.5(4) . .
C312 C311 C310 108.3(3) . .
C322 C312 C311 121.2(4) . .
C322 C312 C303 119.1(4) . .
C311 C312 C303 108.8(3) . .
C328 C313 C314 121.1(4) . .
C328 C313 C306 119.2(4) . .
C314 C313 C306 108.9(3) . .
C315 C314 C313 120.7(4) . .
C315 C314 C307 119.2(4) . .
C313 C314 C307 108.4(3) . .
C314 C315 C316 120.2(4) . .
C314 C315 C330 117.5(4) . .
C316 C315 C330 110.2(4) . .
C317 C316 C315 120.5(3) . .
C317 C316 C323 119.8(5) . 3_657
C315 C316 C323 107.2(5) . 3_657
C316 C317 C318 121.2(4) . .
C316 C317 C308 120.2(4) . .
C318 C317 C308 107.6(3) . .
C325 C318 C317 119.2(5) 3_657 .
C325 C318 C319 118.7(6) 3_657 .
C317 C318 C319 108.6(3) . .
C320 C319 C318 121.2(4) . .
C320 C319 C309 119.8(4) . .
C318 C319 C309 107.3(3) . .
C319 C320 C321 120.5(3) . .
C319 C320 C327 120.0(6) . 3_657
C321 C320 C327 107.2(7) . 3_657
C311 C321 C320 120.4(4) . .
C311 C321 C329 118.1(6) . 3_657
C320 C321 C329 109.9(7) . 3_657
C323 C322 C312 120.5(4) . .
C323 C322 C330 109.7(7) . 3_657
C312 C322 C330 116.7(5) . 3_657
C324 C323 C322 120.9(3) . .
C324 C323 C316 119.2(5) . 3_657
C322 C323 C316 108.5(7) . 3_657
C323 C324 C325 121.8(4) . .
C323 C324 C304 119.9(4) . .
C325 C324 C304 106.6(3) . .
C318 C325 C326 119.6(5) 3_657 .
C318 C325 C324 118.7(5) 3_657 .
C326 C325 C324 109.7(3) . .
C327 C326 C325 121.5(4) . .
C327 C326 C305 119.7(4) . .
C325 C326 C305 107.4(3) . .
C326 C327 C328 120.6(3) . .
C326 C327 C320 119.0(5) . 3_657
C328 C327 C320 107.4(5) . 3_657
C313 C328 C327 120.1(4) . .
C313 C328 C329 117.6(4) . .
C327 C328 C329 109.6(4) . .
C330 C329 C321 121.7(7) . 3_657
C330 C329 C328 121.3(4) . .
C321 C329 C328 106.0(5) 3_657 .
C329 C330 C315 121.7(4) . .
C329 C330 C322 121.4(8) . 3_657
C315 C330 C322 104.4(5) . 3_657
C402 C401 C406 117.2(3) . .
C402 C401 C407 117.8(3) . .
C406 C401 C407 104.6(3) . .
C402 C401 Ni1 69.8(3) . .
C406 C401 Ni1 123.4(3) . .
C407 C401 Ni1 121.3(3) . .
C401 C402 C410 118.1(3) . .
C401 C402 C403 117.7(3) . .
C410 C402 C403 104.9(3) . .
C401 C402 Ni1 70.0(3) . .
C410 C402 Ni1 120.9(3) . .
C403 C402 Ni1 122.8(3) . .
C404 C403 C412 119.4(3) . .
C404 C403 C402 122.8(3) . .
C412 C403 C402 108.3(3) . .
C403 C404 C405 119.5(3) . .
C403 C404 C424 120.3(4) . .
C405 C404 C424 108.1(3) . .
C406 C405 C426 120.2(4) . .
C406 C405 C404 120.1(3) . .
C426 C405 C404 108.2(3) . .
C405 C406 C413 120.0(3) . .
C405 C406 C401 122.3(3) . .
C413 C406 C401 108.6(3) . .
C408 C407 C414 120.1(3) . .
C408 C407 C401 121.3(3) . .
C414 C407 C401 108.7(3) . .
C407 C408 C409 120.8(3) . .
C407 C408 C417 119.7(4) . .
C409 C408 C417 108.5(3) . .
C410 C409 C408 120.3(3) . .
C410 C409 C419 120.1(4) . .
C408 C409 C419 107.9(3) . .
C409 C410 C411 119.5(3) . .
C409 C410 C402 121.4(3) . .
C411 C410 C402 109.1(3) . .
C421 C411 C412 120.8(4) . .
C421 C411 C410 119.6(4) . .
C412 C411 C410 108.3(3) . .
C422 C412 C411 121.2(4) . .
C422 C412 C403 119.0(4) . .
C411 C412 C403 108.8(3) . .
C428 C413 C414 121.0(4) . .
C428 C413 C406 119.2(4) . .
C414 C413 C406 108.9(3) . .
C415 C414 C413 120.8(4) . .
C415 C414 C407 119.2(4) . .
C413 C414 C407 108.4(3) . .
C414 C415 C416 120.3(4) . .
C414 C415 C430 117.5(4) . .
C416 C415 C430 110.2(4) . .
C417 C416 C415 120.5(3) . .
C417 C416 C423 119.3(7) . 3_657
C415 C416 C423 106.8(7) . 3_657
C416 C417 C418 121.2(4) . .
C416 C417 C408 120.1(4) . .
C418 C417 C408 107.6(3) . .
C425 C418 C417 119.8(7) 3_657 .
C425 C418 C419 121.8(7) 3_657 .
C417 C418 C419 108.6(3) . .
C420 C419 C418 121.2(4) . .
C420 C419 C409 119.9(4) . .
C418 C419 C409 107.3(3) . .
C419 C420 C421 120.4(3) . .
C419 C420 C427 117.0(7) . 3_657
C421 C420 C427 109.0(9) . 3_657
C411 C421 C420 120.4(4) . .
C411 C421 C429 118.0(7) . 3_657
C420 C421 C429 108.2(9) . 3_657
C423 C422 C412 120.5(4) . .
C423 C422 C430 109.1(9) . 3_657
C412 C422 C430 116.9(7) . 3_657
C424 C423 C422 120.9(4) . .
C424 C423 C416 118.8(7) . 3_657
C422 C423 C416 109.3(9) . 3_657
C423 C424 C425 121.8(4) . .
C423 C424 C404 119.8(4) . .
C425 C424 C404 106.7(3) . .
C418 C425 C426 117.5(7) 3_657 .
C418 C425 C424 119.1(7) 3_657 .
C426 C425 C424 109.7(3) . .
C427 C426 C425 121.4(4) . .
C427 C426 C405 119.8(4) . .
C425 C426 C405 107.3(3) . .
C426 C427 C428 120.5(3) . .
C426 C427 C420 121.1(7) . 3_657
C428 C427 C420 106.9(6) . 3_657
C413 C428 C427 120.2(4) . .
C413 C428 C429 117.7(4) . .
C427 C428 C429 109.8(4) . .
C430 C429 C428 121.4(4) . .
C430 C429 C421 121.1(10) . 3_657
C428 C429 C421 106.1(7) . 3_657
C429 C430 C415 121.7(4) . .
C429 C430 C422 121.9(10) . 3_657
C415 C430 C422 104.5(7) . 3_657
C502 C501 C506 117.3(3) . .
C502 C501 C507 117.9(3) . .
C506 C501 C507 104.7(3) . .
C502 C501 Ni2 72.1(2) . .
C506 C501 Ni2 120.8(3) . .
C507 C501 Ni2 122.1(3) . .
C501 C502 C510 118.1(3) . .
C501 C502 C503 117.5(3) . .
C510 C502 C503 104.9(3) . .
C501 C502 Ni2 67.5(2) . .
C510 C502 Ni2 123.5(3) . .
C503 C502 Ni2 122.1(3) . .
C504 C503 C512 119.4(3) . .
C504 C503 C502 122.8(3) . .
C512 C503 C502 108.3(3) . .
C503 C504 C505 119.6(3) . .
C503 C504 C524 120.2(4) . .
C505 C504 C524 108.2(3) . .
C506 C505 C526 120.3(4) . .
C506 C505 C504 120.0(3) . .
C526 C505 C504 108.1(3) . .
C505 C506 C513 120.0(3) . .
C505 C506 C501 122.3(3) . .
C513 C506 C501 108.5(3) . .
C508 C507 C514 120.1(3) . .
C508 C507 C501 121.3(3) . .
C514 C507 C501 108.7(3) . .
C507 C508 C509 120.8(3) . .
C507 C508 C517 119.8(3) . .
C509 C508 C517 108.5(3) . .
C510 C509 C508 120.3(3) . .
C510 C509 C519 120.2(4) . .
C508 C509 C519 107.9(3) . .
C509 C510 C511 119.5(3) . .
C509 C510 C502 121.4(3) . .
C511 C510 C502 109.1(3) . .
C521 C511 C512 120.8(4) . .
C521 C511 C510 119.6(4) . .
C512 C511 C510 108.3(3) . .
C522 C512 C511 121.1(4) . .
C522 C512 C503 119.0(3) . .
C511 C512 C503 108.8(3) . .
C528 C513 C514 120.9(4) . .
C528 C513 C506 119.2(4) . .
C514 C513 C506 109.0(3) . .
C515 C514 C513 120.8(3) . .
C515 C514 C507 119.2(4) . .
C513 C514 C507 108.4(3) . .
C514 C515 C516 120.3(4) . .
C514 C515 C530 117.5(4) . .
C516 C515 C530 110.1(4) . .
C517 C516 C515 120.6(3) . .
C517 C516 C523 119.4(5) . 3_565
C515 C516 C523 106.6(5) . 3_565
C516 C517 C518 120.9(4) . .
C516 C517 C508 120.1(4) . .
C518 C517 C508 107.6(3) . .
C525 C518 C517 120.0(5) 3_565 .
C525 C518 C519 119.3(5) 3_565 .
C517 C518 C519 108.6(3) . .
C520 C519 C518 121.2(4) . .
C520 C519 C509 119.9(4) . .
C518 C519 C509 107.3(3) . .
C519 C520 C521 120.4(3) . .
C519 C520 C527 119.4(5) . 3_565
C521 C520 C527 107.6(6) . 3_565
C511 C521 C520 120.4(4) . .
C511 C521 C529 117.0(5) . 3_565
C520 C521 C529 109.4(6) . 3_565
C523 C522 C512 120.5(4) . .
C523 C522 C530 109.7(6) . 3_565
C512 C522 C530 117.8(5) . 3_565
C524 C523 C522 120.9(3) . .
C524 C523 C516 119.3(5) . 3_565
C522 C523 C516 108.7(6) . 3_565
C523 C524 C525 121.8(4) . .
C523 C524 C504 119.9(4) . .
C525 C524 C504 106.7(3) . .
C518 C525 C526 119.6(5) 3_565 .
C518 C525 C524 118.5(5) 3_565 .
C526 C525 C524 109.7(3) . .
C527 C526 C525 121.2(4) . .
C527 C526 C505 119.8(4) . .
C525 C526 C505 107.3(3) . .
C526 C527 C528 120.5(3) . .
C526 C527 C520 119.4(5) . 3_565
C528 C527 C520 107.3(5) . 3_565
C513 C528 C527 120.2(4) . .
C513 C528 C529 117.7(4) . .
C527 C528 C529 109.8(4) . .
C530 C529 C521 123.2(6) . 3_565
C530 C529 C528 121.3(4) . .
C521 C529 C528 105.7(5) 3_565 .
C529 C530 C522 120.0(7) . 3_565
C529 C530 C515 121.6(4) . .
C522 C530 C515 104.8(5) 3_565 .
C602 C601 C606 117.2(3) . .
C602 C601 C607 117.9(3) . .
C606 C601 C607 104.6(3) . .
C602 C601 Ni2 71.9(3) . .
C606 C601 Ni2 125.1(3) . .
C607 C601 Ni2 118.2(3) . .
C601 C602 C610 118.1(3) . .
C601 C602 C603 117.6(3) . .
C610 C602 C603 104.9(3) . .
C601 C602 Ni2 67.7(3) . .
C610 C602 Ni2 119.4(3) . .
C603 C602 Ni2 125.9(3) . .
C604 C603 C612 119.4(3) . .
C604 C603 C602 122.8(3) . .
C612 C603 C602 108.3(3) . .
C603 C604 C605 119.5(3) . .
C603 C604 C624 120.2(4) . .
C605 C604 C624 108.2(3) . .
C606 C605 C626 120.3(4) . .
C606 C605 C604 120.1(3) . .
C626 C605 C604 108.1(3) . .
C605 C606 C613 120.1(3) . .
C605 C606 C601 122.3(3) . .
C613 C606 C601 108.6(3) . .
C608 C607 C614 120.1(3) . .
C608 C607 C601 121.3(3) . .
C614 C607 C601 108.7(3) . .
C607 C608 C609 120.8(3) . .
C607 C608 C617 119.7(4) . .
C609 C608 C617 108.5(3) . .
C610 C609 C608 120.3(3) . .
C610 C609 C619 120.2(4) . .
C608 C609 C619 107.9(3) . .
C609 C610 C611 119.5(3) . .
C609 C610 C602 121.3(3) . .
C611 C610 C602 109.1(3) . .
C621 C611 C612 120.8(4) . .
C621 C611 C610 119.5(4) . .
C612 C611 C610 108.3(3) . .
C622 C612 C611 121.2(4) . .
C622 C612 C603 119.0(4) . .
C611 C612 C603 108.8(3) . .
C628 C613 C614 121.0(4) . .
C628 C613 C606 119.1(4) . .
C614 C613 C606 108.9(3) . .
C615 C614 C613 120.8(4) . .
C615 C614 C607 119.2(4) . .
C613 C614 C607 108.4(3) . .
C614 C615 C616 120.2(4) . .
C614 C615 C630 117.4(4) . .
C616 C615 C630 110.2(4) . .
C617 C616 C615 120.6(3) . .
C617 C616 C623 120.4(9) . 3_565
C615 C616 C623 108.1(9) . 3_565
C616 C617 C618 121.2(4) . .
C616 C617 C608 120.1(4) . .
C618 C617 C608 107.6(3) . .
C617 C618 C625 118.7(9) . 3_565
C617 C618 C619 108.7(3) . .
C625 C618 C619 118.6(9) 3_565 .
C620 C619 C618 121.2(4) . .
C620 C619 C609 119.8(4) . .
C618 C619 C609 107.3(3) . .
C619 C620 C621 120.5(3) . .
C619 C620 C627 120.1(9) . 3_565
C621 C620 C627 106.9(11) . 3_565
C611 C621 C620 120.4(4) . .
C611 C621 C629 117.5(8) . 3_565
C620 C621 C629 110.4(11) . 3_565
C623 C622 C612 120.5(4) . .
C623 C622 C630 111.0(13) . 3_565
C612 C622 C630 117.1(8) . 3_565
C624 C623 C622 120.9(4) . .
C624 C623 C616 118.8(9) . 3_565
C622 C623 C616 107.1(13) . 3_565
C623 C624 C625 121.9(4) . .
C623 C624 C604 119.9(4) . .
C625 C624 C604 106.7(3) . .
C618 C625 C626 119.4(9) 3_565 .
C618 C625 C624 119.0(9) 3_565 .
C626 C625 C624 109.7(3) . .
C627 C626 C625 121.4(4) . .
C627 C626 C605 119.7(4) . .
C625 C626 C605 107.3(3) . .
C626 C627 C628 120.6(3) . .
C626 C627 C620 119.3(9) . 3_565
C628 C627 C620 107.5(8) . 3_565
C627 C628 C613 120.2(4) . .
C627 C628 C629 109.7(4) . .
C613 C628 C629 117.6(4) . .
C630 C629 C621 123.2(14) . 3_565
C630 C629 C628 121.3(4) . .
C621 C629 C628 105.5(8) 3_565 .
C629 C630 C615 121.6(4) . .
C629 C630 C622 120.0(14) . 3_565
C615 C630 C622 103.6(8) . 3_565
C702 C701 C706 117.2(3) . .
C702 C701 C707 117.8(3) . .
C706 C701 C707 104.6(3) . .
C702 C701 Ni2 70.6(2) . .
C706 C701 Ni2 123.9(3) . .
C707 C701 Ni2 120.3(3) . .
C701 C702 C710 118.1(3) . .
C701 C702 C703 117.7(3) . .
C710 C702 C703 104.9(3) . .
C701 C702 Ni2 69.0(2) . .
C710 C702 Ni2 120.5(2) . .
C703 C702 Ni2 123.8(3) . .
C704 C703 C712 119.3(3) . .
C704 C703 C702 122.8(3) . .
C712 C703 C702 108.2(3) . .
C703 C704 C705 119.4(3) . .
C703 C704 C724 120.2(3) . .
C705 C704 C724 108.1(3) . .
C706 C705 C726 120.3(4) . .
C706 C705 C704 120.1(3) . .
C726 C705 C704 108.2(3) . .
C705 C706 C713 120.0(3) . .
C705 C706 C701 122.3(3) . .
C713 C706 C701 108.6(3) . .
C708 C707 C714 120.2(3) . .
C708 C707 C701 121.3(3) . .
C714 C707 C701 108.6(3) . .
C707 C708 C709 120.8(3) . .
C707 C708 C717 119.7(3) . .
C709 C708 C717 108.5(3) . .
C710 C709 C708 120.2(3) . .
C710 C709 C719 120.2(3) . .
C708 C709 C719 107.9(3) . .
C709 C710 C711 119.5(3) . .
C709 C710 C702 121.4(3) . .
C711 C710 C702 109.1(3) . .
C721 C711 C712 120.9(4) . .
C721 C711 C710 119.6(4) . .
C712 C711 C710 108.3(3) . .
C722 C712 C711 121.3(4) . .
C722 C712 C703 119.0(3) . .
C711 C712 C703 108.8(3) . .
C728 C713 C714 121.1(3) . .
C728 C713 C706 119.2(4) . .
C714 C713 C706 108.9(3) . .
C715 C714 C713 120.7(3) . .
C715 C714 C707 119.1(4) . .
C713 C714 C707 108.4(3) . .
C714 C715 C716 120.3(3) . .
C714 C715 C730 117.5(4) . .
C716 C715 C730 110.2(4) . .
C717 C716 C715 120.6(3) . .
C717 C716 C723 119.4(5) . 3_575
C715 C716 C723 107.7(4) . 3_575
C716 C717 C718 121.2(4) . .
C716 C717 C708 120.1(4) . .
C718 C717 C708 107.7(3) . .
C725 C718 C717 119.6(5) 3_575 .
C725 C718 C719 119.2(5) 3_575 .
C717 C718 C719 108.6(3) . .
C720 C719 C718 121.1(4) . .
C720 C719 C709 119.9(4) . .
C718 C719 C709 107.3(3) . .
C719 C720 C721 120.5(3) . .
C719 C720 C727 119.7(5) . 3_575
C721 C720 C727 107.2(5) . 3_575
C711 C721 C720 120.4(4) . .
C711 C721 C729 118.5(5) . 3_575
C720 C721 C729 109.9(5) . 3_575
C723 C722 C712 120.5(4) . .
C723 C722 C730 110.7(6) . 3_575
C712 C722 C730 116.4(5) . 3_575
C724 C723 C722 121.0(3) . .
C724 C723 C716 119.0(5) . 3_575
C722 C723 C716 107.4(6) . 3_575
C723 C724 C725 121.7(4) . .
C723 C724 C704 119.9(4) . .
C725 C724 C704 106.7(3) . .
C718 C725 C726 119.4(5) 3_575 .
C718 C725 C724 118.9(5) 3_575 .
C726 C725 C724 109.7(3) . .
C727 C726 C725 121.4(4) . .
C727 C726 C705 119.8(4) . .
C725 C726 C705 107.3(3) . .
C726 C727 C728 120.6(3) . .
C726 C727 C720 119.2(5) . 3_575
C728 C727 C720 107.8(4) . 3_575
C713 C728 C727 120.2(4) . .
C713 C728 C729 117.6(4) . .
C727 C728 C729 109.7(3) . .
C730 C729 C721 120.5(6) . 3_575
C730 C729 C728 121.3(4) . .
C721 C729 C728 105.4(5) 3_575 .
C729 C730 C715 121.7(4) . .
C729 C730 C722 122.5(6) . 3_575
C715 C730 C722 104.0(5) . 3_575
C802 C801 C806 117.2(3) . .
C802 C801 C807 117.8(3) . .
C806 C801 C807 104.6(3) . .
C802 C801 Ni2 66.7(4) . .
C806 C801 Ni2 123.8(4) . .
C807 C801 Ni2 123.0(4) . .
C801 C802 C810 118.1(3) . .
C801 C802 C803 117.7(3) . .
C810 C802 C803 104.9(3) . .
C801 C802 Ni2 73.1(4) . .
C810 C802 Ni2 120.3(4) . .
C803 C802 Ni2 121.1(5) . .
C804 C803 C812 119.4(3) . .
C804 C803 C802 122.8(3) . .
C812 C803 C802 108.3(3) . .
C803 C804 C805 119.5(3) . .
C803 C804 C824 120.2(4) . .
C805 C804 C824 108.1(3) . .
C806 C805 C826 120.3(4) . .
C806 C805 C804 120.1(3) . .
C826 C805 C804 108.2(3) . .
C805 C806 C813 120.0(3) . .
C805 C806 C801 122.3(3) . .
C813 C806 C801 108.6(3) . .
C808 C807 C814 120.1(3) . .
C808 C807 C801 121.3(3) . .
C814 C807 C801 108.7(3) . .
C807 C808 C809 120.8(3) . .
C807 C808 C817 119.7(4) . .
C809 C808 C817 108.5(3) . .
C810 C809 C808 120.3(3) . .
C810 C809 C819 120.2(4) . .
C808 C809 C819 107.9(3) . .
C809 C810 C811 119.5(3) . .
C809 C810 C802 121.4(3) . .
C811 C810 C802 109.1(3) . .
C821 C811 C812 120.8(4) . .
C821 C811 C810 119.6(4) . .
C812 C811 C810 108.3(3) . .
C822 C812 C811 121.2(4) . .
C822 C812 C803 119.0(4) . .
C811 C812 C803 108.8(3) . .
C828 C813 C814 121.0(4) . .
C828 C813 C806 119.2(4) . .
C814 C813 C806 108.9(3) . .
C815 C814 C813 120.8(4) . .
C815 C814 C807 119.2(4) . .
C813 C814 C807 108.4(3) . .
C814 C815 C816 120.2(4) . .
C814 C815 C830 117.4(4) . .
C816 C815 C830 110.2(4) . .
C817 C816 C815 120.5(4) . .
C817 C816 C823 122.9(14) . 3_575
C815 C816 C823 106.6(13) . 3_575
C816 C817 C818 121.1(4) . .
C816 C817 C808 120.1(4) . .
C818 C817 C808 107.6(3) . .
C817 C818 C825 116.4(14) . 3_575
C817 C818 C819 108.6(3) . .
C825 C818 C819 120.6(15) 3_575 .
C820 C819 C818 121.1(4) . .
C820 C819 C809 119.9(4) . .
C818 C819 C809 107.3(4) . .
C819 C820 C821 120.4(3) . .
C819 C820 C827 118.2(15) . 3_575
C821 C820 C827 109(2) . 3_575
C811 C821 C820 120.4(4) . .
C811 C821 C829 117.9(13) . 3_575
C820 C821 C829 108.4(19) . 3_575
C823 C822 C812 120.5(4) . .
C823 C822 C830 107.4(19) . 3_575
C812 C822 C830 117.4(13) . 3_575
C824 C823 C822 120.9(4) . .
C824 C823 C816 117.6(15) . 3_575
C822 C823 C816 111(2) . 3_575
C823 C824 C825 121.7(4) . .
C823 C824 C804 119.8(4) . .
C825 C824 C804 106.6(3) . .
C818 C825 C826 116.8(14) 3_575 .
C818 C825 C824 120.3(15) 3_575 .
C826 C825 C824 109.7(3) . .
C827 C826 C825 121.4(4) . .
C827 C826 C805 119.8(4) . .
C825 C826 C805 107.3(4) . .
C826 C827 C828 120.6(4) . .
C826 C827 C820 121.9(15) . 3_575
C828 C827 C820 107.4(13) . 3_575
C813 C828 C827 120.1(4) . .
C813 C828 C829 117.6(4) . .
C827 C828 C829 109.7(4) . .
C830 C829 C828 121.4(4) . .
C830 C829 C821 122(3) . 3_575
C828 C829 C821 105.4(13) . 3_575
C829 C830 C815 121.7(4) . .
C829 C830 C822 121(3) . 3_575
C815 C830 C822 104.3(12) . 3_575
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 C101 2.095(5) .
Ni1 C202 2.095(6) .
Ni1 C302 2.118(5) .
Ni1 C301 2.120(5) .
Ni1 C402 2.125(6) .
Ni1 C401 2.128(5) .
Ni1 C201 2.132(6) .
Ni1 C102 2.140(5) .
Ni1 P1 2.265(3) .
Ni1 P2 2.288(3) .
P1 C11 1.809(11) .
P1 C12 1.819(9) .
P1 C13 1.819(11) .
P2 C14 1.838(11) .
P2 C15 1.842(9) .
P2 C16 1.850(11) .
Ni2 C802 2.076(9) .
Ni2 C501 2.080(4) .
Ni2 C601 2.086(6) .
Ni2 C701 2.107(4) .
Ni2 C702 2.129(4) .
Ni2 C602 2.142(7) .
Ni2 C502 2.143(4) .
Ni2 C801 2.162(9) .
Ni2 P4 2.274(3) .
Ni2 P3 2.285(3) .
P3 C22 1.804(9) .
P3 C21 1.818(11) .
P3 C23 1.820(12) .
P4 C24 1.833(11) .
P4 C26 1.840(13) .
P4 C25 1.843(9) .
C101 C102 1.461(4) .
C101 C106 1.485(4) .
C101 C107 1.486(5) .
C102 C110 1.477(4) .
C102 C103 1.478(4) .
C103 C104 1.374(5) .
C103 C112 1.462(5) .
C104 C105 1.458(5) .
C104 C124 1.465(5) .
C105 C106 1.378(5) .
C105 C126 1.455(5) .
C106 C113 1.450(5) .
C107 C108 1.384(5) .
C107 C114 1.454(5) .
C108 C109 1.437(5) .
C108 C117 1.453(5) .
C109 C110 1.395(5) .
C109 C119 1.458(5) .
C110 C111 1.452(5) .
C111 C121 1.412(5) .
C111 C112 1.415(5) .
C112 C122 1.414(5) .
C113 C128 1.418(5) .
C113 C114 1.420(5) .
C114 C115 1.408(5) .
C115 C116 1.420(6) .
C115 C130 1.475(6) .
C116 C117 1.385(5) .
C116 C123 1.471(9) 3_667
C117 C118 1.438(6) .
C118 C125 1.408(9) 3_667
C118 C119 1.452(6) .
C119 C120 1.387(6) .
C120 C121 1.425(6) .
C120 C127 1.465(10) 3_667
C121 C129 1.468(10) 3_667
C122 C123 1.407(6) .
C122 C130 1.489(10) 3_667
C123 C124 1.370(6) .
C123 C116 1.471(9) 3_667
C124 C125 1.452(6) .
C125 C118 1.408(9) 3_667
C125 C126 1.445(6) .
C126 C127 1.388(6) .
C127 C128 1.418(6) .
C127 C120 1.465(10) 3_667
C128 C129 1.462(5) .
C129 C130 1.336(6) .
C129 C121 1.468(10) 3_667
C130 C122 1.489(10) 3_667
C201 C202 1.461(4) .
C201 C206 1.485(4) .
C201 C207 1.486(5) .
C202 C210 1.477(4) .
C202 C203 1.478(4) .
C203 C204 1.374(5) .
C203 C212 1.462(5) .
C204 C205 1.458(5) .
C204 C224 1.465(5) .
C205 C206 1.378(5) .
C205 C226 1.455(5) .
C206 C213 1.450(5) .
C207 C208 1.383(5) .
C207 C214 1.454(5) .
C208 C209 1.437(5) .
C208 C217 1.453(5) .
C209 C210 1.395(5) .
C209 C219 1.459(5) .
C210 C211 1.452(5) .
C211 C221 1.413(5) .
C211 C212 1.416(5) .
C212 C222 1.414(5) .
C213 C228 1.418(5) .
C213 C214 1.420(5) .
C214 C215 1.408(5) .
C215 C216 1.420(6) .
C215 C230 1.475(6) .
C216 C217 1.385(6) .
C216 C223 1.500(15) 3_667
C217 C218 1.437(6) .
C218 C225 1.385(14) 3_667
C218 C219 1.452(6) .
C219 C220 1.387(6) .
C220 C221 1.425(6) .
C220 C227 1.466(15) 3_667
C221 C229 1.451(15) 3_667
C222 C223 1.407(6) .
C222 C230 1.508(15) 3_667
C223 C224 1.370(6) .
C223 C216 1.500(15) 3_667
C224 C225 1.452(6) .
C225 C218 1.385(14) 3_667
C225 C226 1.444(6) .
C226 C227 1.388(6) .
C227 C228 1.418(6) .
C227 C220 1.466(15) 3_667
C228 C229 1.462(5) .
C229 C230 1.337(6) .
C229 C221 1.451(15) 3_667
C230 C222 1.508(15) 3_667
C301 C302 1.461(4) .
C301 C306 1.485(4) .
C301 C307 1.486(5) .
C302 C310 1.476(4) .
C302 C303 1.478(4) .
C303 C304 1.374(5) .
C303 C312 1.462(5) .
C304 C305 1.458(5) .
C304 C324 1.465(5) .
C305 C306 1.378(5) .
C305 C326 1.455(5) .
C306 C313 1.450(5) .
C307 C308 1.383(5) .
C307 C314 1.455(5) .
C308 C309 1.437(5) .
C308 C317 1.453(5) .
C309 C310 1.395(5) .
C309 C319 1.459(5) .
C310 C311 1.452(5) .
C311 C321 1.413(5) .
C311 C312 1.415(5) .
C312 C322 1.414(5) .
C313 C328 1.418(5) .
C313 C314 1.420(5) .
C314 C315 1.409(5) .
C315 C316 1.420(6) .
C315 C330 1.475(6) .
C316 C317 1.385(5) .
C316 C323 1.474(10) 3_657
C317 C318 1.437(6) .
C318 C325 1.435(10) 3_657
C318 C319 1.452(6) .
C319 C320 1.387(6) .
C320 C321 1.425(6) .
C320 C327 1.479(10) 3_657
C321 C329 1.447(11) 3_657
C322 C323 1.407(6) .
C322 C330 1.485(11) 3_657
C323 C324 1.370(6) .
C323 C316 1.474(10) 3_657
C324 C325 1.452(6) .
C325 C318 1.434(10) 3_657
C325 C326 1.444(6) .
C326 C327 1.387(6) .
C327 C328 1.419(6) .
C327 C320 1.479(10) 3_657
C328 C329 1.462(5) .
C329 C330 1.336(6) .
C329 C321 1.447(11) 3_657
C330 C322 1.485(11) 3_657
C401 C402 1.461(4) .
C401 C406 1.485(4) .
C401 C407 1.486(5) .
C402 C410 1.476(4) .
C402 C403 1.478(4) .
C403 C404 1.374(5) .
C403 C412 1.462(5) .
C404 C405 1.458(5) .
C404 C424 1.465(5) .
C405 C406 1.378(5) .
C405 C426 1.455(5) .
C406 C413 1.450(5) .
C407 C408 1.383(5) .
C407 C414 1.455(5) .
C408 C409 1.437(5) .
C408 C417 1.453(5) .
C409 C410 1.395(5) .
C409 C419 1.459(5) .
C410 C411 1.452(5) .
C411 C421 1.413(5) .
C411 C412 1.416(5) .
C412 C422 1.414(5) .
C413 C428 1.418(5) .
C413 C414 1.421(5) .
C414 C415 1.408(5) .
C415 C416 1.420(6) .
C415 C430 1.475(6) .
C416 C417 1.385(5) .
C416 C423 1.457(15) 3_657
C417 C418 1.437(6) .
C418 C425 1.375(14) 3_657
C418 C419 1.452(6) .
C419 C420 1.387(6) .
C420 C421 1.425(6) .
C420 C427 1.462(14) 3_657
C421 C429 1.462(14) 3_657
C422 C423 1.407(6) .
C422 C430 1.478(15) 3_657
C423 C424 1.370(6) .
C423 C416 1.457(15) 3_657
C424 C425 1.452(6) .
C425 C418 1.375(14) 3_657
C425 C426 1.444(6) .
C426 C427 1.388(6) .
C427 C428 1.418(6) .
C427 C420 1.462(14) 3_657
C428 C429 1.461(5) .
C429 C430 1.337(6) .
C429 C421 1.462(14) 3_657
C430 C422 1.478(15) 3_657
C501 C502 1.460(4) .
C501 C506 1.485(4) .
C501 C507 1.486(5) .
C502 C510 1.477(4) .
C502 C503 1.478(4) .
C503 C504 1.374(5) .
C503 C512 1.462(5) .
C504 C505 1.458(5) .
C504 C524 1.464(5) .
C505 C506 1.379(5) .
C505 C526 1.455(5) .
C506 C513 1.450(5) .
C507 C508 1.384(5) .
C507 C514 1.454(5) .
C508 C509 1.437(5) .
C508 C517 1.453(5) .
C509 C510 1.394(5) .
C509 C519 1.459(5) .
C510 C511 1.452(5) .
C511 C521 1.412(5) .
C511 C512 1.415(5) .
C512 C522 1.415(5) .
C513 C528 1.418(5) .
C513 C514 1.421(5) .
C514 C515 1.408(5) .
C515 C516 1.420(6) .
C515 C530 1.475(5) .
C516 C517 1.385(5) .
C516 C523 1.473(9) 3_565
C517 C518 1.438(6) .
C518 C525 1.412(9) 3_565
C518 C519 1.452(6) .
C519 C520 1.387(6) .
C520 C521 1.425(6) .
C520 C527 1.472(9) 3_565
C521 C529 1.456(9) 3_565
C522 C523 1.407(6) .
C522 C530 1.467(9) 3_565
C523 C524 1.370(6) .
C523 C516 1.473(9) 3_565
C524 C525 1.451(5) .
C525 C518 1.412(9) 3_565
C525 C526 1.445(6) .
C526 C527 1.388(6) .
C527 C528 1.418(6) .
C527 C520 1.472(9) 3_565
C528 C529 1.462(5) .
C529 C530 1.337(6) .
C529 C521 1.457(9) 3_565
C530 C522 1.467(9) 3_565
C601 C602 1.461(4) .
C601 C606 1.485(4) .
C601 C607 1.486(5) .
C602 C610 1.477(4) .
C602 C603 1.478(4) .
C603 C604 1.374(5) .
C603 C612 1.462(5) .
C604 C605 1.458(5) .
C604 C624 1.465(5) .
C605 C606 1.378(5) .
C605 C626 1.455(5) .
C606 C613 1.449(5) .
C607 C608 1.383(5) .
C607 C614 1.454(5) .
C608 C609 1.437(5) .
C608 C617 1.453(5) .
C609 C610 1.395(5) .
C609 C619 1.459(5) .
C610 C611 1.452(5) .
C611 C621 1.413(5) .
C611 C612 1.415(5) .
C612 C622 1.414(5) .
C613 C628 1.418(5) .
C613 C614 1.420(5) .
C614 C615 1.408(5) .
C615 C616 1.420(6) .
C615 C630 1.475(6) .
C616 C617 1.385(6) .
C616 C623 1.48(2) 3_565
C617 C618 1.437(6) .
C618 C625 1.441(19) 3_565
C618 C619 1.452(6) .
C619 C620 1.387(6) .
C620 C621 1.425(6) .
C620 C627 1.471(19) 3_565
C621 C629 1.442(18) 3_565
C622 C623 1.407(6) .
C622 C630 1.489(19) 3_565
C623 C624 1.370(6) .
C623 C616 1.48(2) 3_565
C624 C625 1.451(6) .
C625 C618 1.442(19) 3_565
C625 C626 1.445(6) .
C626 C627 1.388(6) .
C627 C628 1.418(6) .
C627 C620 1.471(19) 3_565
C628 C629 1.462(5) .
C629 C630 1.337(6) .
C629 C621 1.442(18) 3_565
C630 C622 1.489(19) 3_565
C701 C702 1.460(4) .
C701 C706 1.485(4) .
C701 C707 1.486(4) .
C702 C710 1.476(4) .
C702 C703 1.478(4) .
C703 C704 1.375(5) .
C703 C712 1.462(5) .
C704 C705 1.458(5) .
C704 C724 1.465(5) .
C705 C706 1.378(5) .
C705 C726 1.454(5) .
C706 C713 1.449(5) .
C707 C708 1.383(5) .
C707 C714 1.455(5) .
C708 C709 1.437(5) .
C708 C717 1.453(5) .
C709 C710 1.395(5) .
C709 C719 1.459(5) .
C710 C711 1.452(5) .
C711 C721 1.413(5) .
C711 C712 1.415(5) .
C712 C722 1.414(5) .
C713 C728 1.418(5) .
C713 C714 1.421(5) .
C714 C715 1.408(5) .
C715 C716 1.420(6) .
C715 C730 1.475(5) .
C716 C717 1.384(5) .
C716 C723 1.480(9) 3_575
C717 C718 1.437(6) .
C718 C725 1.414(8) 3_575
C718 C719 1.452(6) .
C719 C720 1.387(6) .
C720 C721 1.424(6) .
C720 C727 1.469(9) 3_575
C721 C729 1.459(9) 3_575
C722 C723 1.407(6) .
C722 C730 1.485(9) 3_575
C723 C724 1.370(6) .
C723 C716 1.480(9) 3_575
C724 C725 1.452(5) .
C725 C718 1.414(8) 3_575
C725 C726 1.444(6) .
C726 C727 1.388(6) .
C727 C728 1.419(6) .
C727 C720 1.469(9) 3_575
C728 C729 1.462(5) .
C729 C730 1.336(6) .
C729 C721 1.459(9) 3_575
C730 C722 1.485(9) 3_575
C801 C802 1.461(4) .
C801 C806 1.485(4) .
C801 C807 1.486(5) .
C802 C810 1.476(4) .
C802 C803 1.478(4) .
C803 C804 1.374(5) .
C803 C812 1.462(5) .
C804 C805 1.458(5) .
C804 C824 1.465(5) .
C805 C806 1.378(5) .
C805 C826 1.455(5) .
C806 C813 1.450(5) .
C807 C808 1.383(5) .
C807 C814 1.454(5) .
C808 C809 1.437(5) .
C808 C817 1.453(5) .
C809 C810 1.395(5) .
C809 C819 1.459(5) .
C810 C811 1.452(5) .
C811 C821 1.413(5) .
C811 C812 1.415(5) .
C812 C822 1.415(5) .
C813 C828 1.418(5) .
C813 C814 1.421(5) .
C814 C815 1.408(5) .
C815 C816 1.420(6) .
C815 C830 1.475(6) .
C816 C817 1.385(6) .
C816 C823 1.42(3) 3_575
C817 C818 1.437(6) .
C818 C825 1.44(3) 3_575
C818 C819 1.452(6) .
C819 C820 1.387(6) .
C820 C821 1.425(6) .
C820 C827 1.44(3) 3_575
C821 C829 1.46(3) 3_575
C822 C823 1.407(6) .
C822 C830 1.49(3) 3_575
C823 C824 1.370(6) .
C823 C816 1.42(3) 3_575
C824 C825 1.452(6) .
C825 C818 1.44(3) 3_575
C825 C826 1.445(6) .
C826 C827 1.388(6) .
C827 C828 1.418(6) .
C827 C820 1.44(3) 3_575
C828 C829 1.462(5) .
C829 C830 1.336(6) .
C829 C821 1.46(3) 3_575
C830 C822 1.49(3) 3_575
