#------------------------------------------------------------------------------
#$Date: 2016-08-07 10:51:13 +0200 (dom 07 de ago de 2016) $
#$Revision: 185356 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/94/7039415.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_7039415
loop_
_publ_author_name
'Li, Teng'
'Wang, Yanyan'
'Qin, Lei'
'Han, Tian'
'Ding, You-Song'
'Hu, Yue-Qiao'
'Zheng, Yan-Zhen'
_publ_section_title
;
 Construction of magnet-type coordination polymers using high-spin
 {Ni4}-citrate cubane as secondary building units.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10798
_journal_page_last               10806
_journal_paper_doi               10.1039/c6dt01405d
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C48 H66 K8 Ni12 O73'
_chemical_formula_weight         2828.32
_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
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-05-25 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;
_cell_angle_alpha                101.7960(10)
_cell_angle_beta                 106.0770(10)
_cell_angle_gamma                96.1090(10)
_cell_formula_units_Z            2
_cell_length_a                   13.0462(6)
_cell_length_b                   14.7766(7)
_cell_length_c                   22.3880(11)
_cell_measurement_reflns_used    13991
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.52
_cell_volume                     3998.1(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0223
_diffrn_reflns_av_unetI/netI     0.0347
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            28840
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.521
_exptl_absorpt_coefficient_mu    3.312
_exptl_absorpt_correction_T_max  0.608
_exptl_absorpt_correction_T_min  0.385
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2852
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.150
_exptl_transmission_factor_max   0.6313
_exptl_transmission_factor_min   0.4932
_refine_diff_density_max         2.550
_refine_diff_density_min         -2.210
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1258
_refine_ls_number_reflns         13978
_refine_ls_number_restraints     76
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0505
_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)+(0.0605P)²+25.1736P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1262
_refine_ls_wR_factor_ref         0.1321
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11901
_reflns_number_total             13978
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt01405d2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7039413--7039415.cif.'
_cod_database_code               7039415
_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.
;
_shelx_estimated_absorpt_t_min   0.493
_shelx_estimated_absorpt_t_max   0.631
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_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.23246(5) 0.79110(5) -0.13215(3) 0.00686(15) Uani 1 1 d . . . . .
Ni2 Ni 0.25612(5) 0.65541(5) -0.03509(3) 0.00672(15) Uani 1 1 d . . . . .
Ni3 Ni 0.22157(5) 0.84961(5) 0.01046(3) 0.00627(15) Uani 1 1 d . . . . .
Ni4 Ni 0.03617(5) 0.71635(5) -0.10762(3) 0.00672(15) Uani 1 1 d . . . . .
Ni5 Ni 0.33887(5) 1.25522(5) 0.08879(3) 0.00827(15) Uani 1 1 d . . . . .
Ni6 Ni 0.44419(5) 0.75916(5) 0.20430(3) 0.00936(16) Uani 1 1 d . . . . .
Ni7 Ni 0.72441(5) 0.79272(5) 0.36567(3) 0.00718(15) Uani 1 1 d . . . . .
Ni8 Ni 0.75315(5) 0.65982(5) 0.46606(3) 0.00703(15) Uani 1 1 d . . . . .
Ni11 Ni 0.72686(5) 0.85098(5) 0.51453(3) 0.00698(15) Uani 1 1 d . . . . .
Ni10 Ni 0.53411(5) 0.72162(5) 0.39289(3) 0.00655(15) Uani 1 1 d . . . . .
Ni9 Ni 0.92100(11) 0.75376(6) 0.66811(12) 0.0101(5) Uani 0.855(8) 1 d . . P A 1
Ni9' Ni 0.9460(7) 0.7494(4) 0.7037(8) 0.018(3) Uani 0.145(8) 1 d . . P A 2
Ni12 Ni 0.84673(5) 1.25521(5) 0.59162(3) 0.00846(15) Uani 1 1 d . . . . .
K1 K 0.77492(10) 0.77541(8) 0.07488(6) 0.0143(3) Uani 1 1 d . . . . .
K2 K 0.38740(12) 0.47617(10) 0.03948(7) 0.0239(3) Uani 1 1 d . . . . .
K3 K 0.22360(11) 0.90102(9) 0.19382(6) 0.0201(3) Uani 1 1 d . U . . .
K4 K -0.03953(11) 0.74634(10) 0.21340(7) 0.0248(3) Uani 1 1 d . U . . .
K5 K 0.48106(10) 0.11266(9) 0.27456(6) 0.0193(3) Uani 1 1 d . . . . .
K6 K 0.79454(11) 0.10000(10) 0.27827(6) 0.0219(3) Uani 1 1 d . U . . .
K7 K 0.72766(10) 0.22518(8) 0.42402(6) 0.0118(2) Uani 1 1 d . . . . .
K8 K 0.86634(11) 0.46666(10) 0.53360(7) 0.0231(3) Uani 1 1 d . . . . .
C1 C 0.0925(4) 0.6762(4) -0.2589(3) 0.0144(12) Uani 1 1 d . . . . .
C2 C 0.1461(5) 0.5972(4) -0.2401(3) 0.0137(12) Uani 1 1 d . . . . .
H2A H 0.2237 0.6112 -0.2367 0.016 Uiso 1 1 calc R U . . .
H2B H 0.1132 0.5392 -0.2745 0.016 Uiso 1 1 calc R U . . .
C3 C 0.1372(4) 0.5787(4) -0.1759(2) 0.0088(11) Uani 1 1 d . . . . .
C4 C 0.2108(5) 0.5065(4) -0.1598(3) 0.0123(11) Uani 1 1 d . . . . .
H4A H 0.1953 0.4548 -0.1987 0.015 Uiso 1 1 calc R U . . .
H4B H 0.2871 0.5372 -0.1491 0.015 Uiso 1 1 calc R U . . .
C5 C 0.1992(4) 0.4645(4) -0.1050(3) 0.0122(12) Uani 1 1 d . . . . .
C6 C 0.0198(4) 0.5338(4) -0.1841(3) 0.0108(11) Uani 1 1 d . . . . .
C7 C 0.2537(4) 0.6681(4) 0.0977(2) 0.0081(11) Uani 1 1 d . . . . .
C8 C 0.1326(4) 0.6341(4) 0.0687(2) 0.0072(10) Uani 1 1 d . . . . .
H8A H 0.1006 0.6324 0.1038 0.009 Uiso 1 1 calc R U . . .
H8B H 0.1199 0.5691 0.0423 0.009 Uiso 1 1 calc R U . . .
C9 C 0.0730(4) 0.6954(4) 0.0265(2) 0.0068(10) Uani 1 1 d . . . . .
C10 C -0.0426(4) 0.6390(4) -0.0072(2) 0.0082(11) Uani 1 1 d . . . . .
H10A H -0.0385 0.5818 -0.0378 0.010 Uiso 1 1 calc R U . . .
H10B H -0.0712 0.6186 0.0255 0.010 Uiso 1 1 calc R U . . .
C11 C -0.1218(4) 0.6919(4) -0.0429(2) 0.0077(11) Uani 1 1 d . U . . .
C12 C 0.0662(4) 0.7909(4) 0.0690(3) 0.0089(11) Uani 1 1 d . . . . .
C13 C 0.4521(4) 0.7978(4) -0.1310(3) 0.0095(11) Uani 1 1 d . . . . .
C14 C 0.4707(4) 0.8602(4) -0.0657(2) 0.0069(10) Uani 1 1 d . . . . .
H14A H 0.4307 0.9130 -0.0699 0.008 Uiso 1 1 calc R U . . .
H14B H 0.5488 0.8868 -0.0465 0.008 Uiso 1 1 calc R U . . .
C15 C 0.4336(4) 0.8067(4) -0.0209(3) 0.0089(11) Uani 1 1 d . . . . .
C16 C 0.4755(4) 0.7112(4) -0.0292(2) 0.0095(11) Uani 1 1 d . . . . .
C17 C 0.4826(4) 0.8679(4) 0.0480(2) 0.0091(11) Uani 1 1 d . . . . .
H17A H 0.5613 0.8665 0.0620 0.011 Uiso 1 1 calc R U . . .
H17B H 0.4741 0.9336 0.0475 0.011 Uiso 1 1 calc R U . . .
C18 C 0.4345(4) 0.8397(4) 0.0969(2) 0.0087(11) Uani 1 1 d . . . . .
C19 C 0.2269(4) 1.0446(4) 0.0071(2) 0.0087(11) Uani 1 1 d . . . . .
C20 C 0.1119(4) 1.0065(4) -0.0364(2) 0.0093(11) Uani 1 1 d . . . . .
H20A H 0.0787 1.0593 -0.0496 0.011 Uiso 1 1 calc R U . . .
H20B H 0.0697 0.9800 -0.0115 0.011 Uiso 1 1 calc R U . . .
C21 C 0.1019(4) 0.9305(4) -0.0970(3) 0.0108(11) Uani 1 1 d . . . . .
C22 C -0.0168(4) 0.9154(4) -0.1394(3) 0.0146(12) Uani 1 1 d . U . . .
H22A H -0.0649 0.9047 -0.1133 0.018 Uiso 1 1 calc R U . . .
H22B H -0.0304 0.9733 -0.1538 0.018 Uiso 1 1 calc R U . . .
C23 C -0.0459(4) 0.8339(4) -0.1976(3) 0.0126(11) Uani 1 1 d . U . . .
C24 C 0.1794(4) 0.9707(4) -0.1308(3) 0.0108(11) Uani 1 1 d . . . . .
C25 C 0.5857(4) 0.6643(4) 0.2399(3) 0.0106(11) Uani 1 1 d . . . . .
C26 C 0.6479(4) 0.5924(4) 0.2623(2) 0.0091(11) Uani 1 1 d . . . . .
H26A H 0.7256 0.6124 0.2679 0.011 Uiso 1 1 calc R U . . .
H26B H 0.6224 0.5321 0.2293 0.011 Uiso 1 1 calc R U . . .
C27 C 0.6347(4) 0.5779(4) 0.3260(2) 0.0085(11) Uani 1 1 d . . . . .
C28 C 0.7052(4) 0.5050(4) 0.3445(3) 0.0094(11) Uani 1 1 d . . . . .
H28A H 0.6894 0.4518 0.3064 0.011 Uiso 1 1 calc R U . . .
H28B H 0.7822 0.5339 0.3554 0.011 Uiso 1 1 calc R U . . .
C29 C 0.6908(4) 0.4665(4) 0.3997(3) 0.0108(11) Uani 1 1 d . . . . .
C30 C 0.5150(4) 0.5364(4) 0.3165(2) 0.0104(11) Uani 1 1 d . . . . .
C31 C 0.9390(4) 0.7908(4) 0.3619(3) 0.0106(11) Uani 1 1 d . . . . .
C32 C 0.9623(4) 0.8585(4) 0.4250(3) 0.0101(11) Uani 1 1 d . . . . .
H32A H 0.9210 0.9103 0.4195 0.012 Uiso 1 1 calc R U . . .
H32B H 1.0404 0.8857 0.4414 0.012 Uiso 1 1 calc R U . . .
C33 C 0.9313(4) 0.8108(4) 0.4743(3) 0.0110(11) Uani 1 1 d . . . . .
C34 C 0.9719(4) 0.7159(4) 0.4702(2) 0.0100(11) Uani 1 1 d . . . . .
C35 C 0.9853(4) 0.8779(4) 0.5402(3) 0.0131(12) Uani 1 1 d . . . . .
H35A H 1.0649 0.8853 0.5497 0.016 Uiso 1 1 calc R U . . .
H35B H 0.9646 0.9402 0.5394 0.016 Uiso 1 1 calc R U . . .
C36 C 0.9542(4) 0.8440(4) 0.5921(3) 0.0132(12) Uani 1 1 d . . . . .
C37 C 0.7389(4) 0.6625(4) 0.5981(3) 0.0108(11) Uani 1 1 d . . . . .
C38 C 0.6199(4) 0.6313(4) 0.5654(3) 0.0102(11) Uani 1 1 d . . . . .
H38A H 0.5834 0.6267 0.5983 0.012 Uiso 1 1 calc R U . . .
H38B H 0.6076 0.5678 0.5370 0.012 Uiso 1 1 calc R U . . .
C39 C 0.5672(4) 0.6972(4) 0.5255(3) 0.0086(11) Uani 1 1 d . . . . .
C40 C 0.5636(4) 0.7933(4) 0.5685(2) 0.0092(11) Uani 1 1 d . . . . .
C41 C 0.4515(4) 0.6432(4) 0.4907(3) 0.0086(11) Uani 1 1 d . . . . .
H41A H 0.4549 0.5869 0.4591 0.010 Uiso 1 1 calc R U . . .
H41B H 0.4216 0.6215 0.5224 0.010 Uiso 1 1 calc R U . . .
C42 C 0.3747(4) 0.6990(4) 0.4562(2) 0.0080(11) Uani 1 1 d . U . . .
C43 C 0.7387(4) 1.0464(4) 0.5133(2) 0.0081(11) Uani 1 1 d . . . . .
C44 C 0.6219(4) 1.0116(4) 0.4728(3) 0.0102(11) Uani 1 1 d . . . . .
H44A H 0.5894 1.0662 0.4622 0.012 Uiso 1 1 calc R U . . .
H44B H 0.5824 0.9849 0.4989 0.012 Uiso 1 1 calc R U . . .
C45 C 0.6033(4) 0.9371(4) 0.4097(3) 0.0092(11) Uani 1 1 d . . . . .
C46 C 0.6732(4) 0.9745(4) 0.3710(2) 0.0082(11) Uani 1 1 d . . . . .
C47 C 0.4813(4) 0.9263(4) 0.3739(3) 0.0092(10) Uani 1 1 d . U . . .
H47A H 0.4386 0.9076 0.4011 0.011 Uiso 1 1 calc R U . . .
H47B H 0.4648 0.9875 0.3661 0.011 Uiso 1 1 calc R U . . .
C48 C 0.4485(4) 0.8543(4) 0.3111(2) 0.0082(10) Uani 1 1 d . U . . .
O1 O 0.1329(3) 0.7592(3) -0.22771(18) 0.0119(8) Uani 1 1 d . . . . .
O2 O 0.0075(3) 0.6552(3) -0.30732(19) 0.0192(9) Uani 1 1 d . . . . .
O3 O -0.0321(3) 0.5789(3) -0.15214(18) 0.0118(8) Uani 1 1 d . . . . .
O4 O -0.0147(3) 0.4531(3) -0.22062(19) 0.0148(8) Uani 1 1 d . . . . .
O5 O 0.1885(4) 0.3768(3) -0.1144(2) 0.0248(10) Uani 1 1 d . . . . .
O6 O 0.2038(3) 0.5179(3) -0.05195(18) 0.0116(8) Uani 1 1 d . . . . .
O7 O 0.1688(3) 0.6623(3) -0.12733(17) 0.0091(8) Uani 1 1 d . . . . .
O8 O 0.2889(3) 0.7086(3) 0.15757(18) 0.0104(8) Uani 1 1 d . . . . .
O9 O 0.3136(3) 0.6547(3) 0.06311(17) 0.0090(8) Uani 1 1 d . . . . .
O10 O 0.0114(3) 0.7892(3) 0.10630(19) 0.0165(9) Uani 1 1 d . . . . .
O11 O 0.1174(3) 0.8649(3) 0.06315(17) 0.0098(8) Uani 1 1 d . . . . .
O12 O 0.1280(3) 0.7119(2) -0.01767(17) 0.0079(7) Uani 1 1 d . . . . .
O13 O -0.2171(3) 0.6828(2) -0.03991(17) 0.0080(7) Uani 1 1 d . . . . .
O14 O -0.0882(3) 0.7433(3) -0.07496(17) 0.0098(8) Uani 1 1 d . . . . .
O15 O 0.5313(3) 0.7765(3) -0.14905(18) 0.0119(8) Uani 1 1 d . . . . .
O16 O 0.3555(3) 0.7645(3) -0.16669(17) 0.0098(8) Uani 1 1 d . . . . .
O17 O 0.3189(3) 0.7895(2) -0.03843(17) 0.0074(7) Uani 1 1 d . . . . .
O18 O 0.5736(3) 0.7130(3) -0.02694(18) 0.0107(8) Uani 1 1 d . . . . .
O19 O 0.4094(3) 0.6375(3) -0.03857(18) 0.0117(8) Uani 1 1 d . . . . .
O20 O 0.4973(3) 0.8097(3) 0.14078(18) 0.0113(8) Uani 1 1 d . . . . .
O21 O 0.3398(3) 0.8502(3) 0.09485(17) 0.0090(8) Uani 1 1 d . . . . .
O22 O 0.2849(3) 0.9876(3) 0.02780(17) 0.0100(8) Uani 1 1 d . . . . .
O23 O 0.2589(3) 1.1322(3) 0.02013(18) 0.0121(8) Uani 1 1 d . . . . .
O24 O 0.1305(3) 0.8464(2) -0.08223(17) 0.0075(7) Uani 1 1 d . . . . .
O25 O 0.2549(3) 0.9258(3) -0.13893(18) 0.0110(8) Uani 1 1 d . . . . .
O26 O 0.1669(3) 1.0453(3) -0.1467(2) 0.0197(9) Uani 1 1 d . . . . .
O27 O -0.0513(3) 0.7512(3) -0.19148(17) 0.0104(8) Uani 1 1 d . U . . .
O28 O -0.0646(3) 0.8535(3) -0.25229(19) 0.0176(9) Uani 1 1 d . U . . .
O29 O 0.5777(4) 0.6152(4) 0.0819(2) 0.0317(11) Uani 1 1 d . . . . .
H29A H 0.6326 0.6100 0.1211 0.038 Uiso 1 1 calc R U . . .
H29B H 0.5640 0.6804 0.0848 0.038 Uiso 1 1 calc R U . . .
O30 O 0.4971(3) 0.6375(3) 0.19434(18) 0.0147(8) Uani 1 1 d . . . . .
O31 O 0.6185(3) 0.7514(3) 0.26662(18) 0.0098(8) Uani 1 1 d . . . . .
O32 O 0.6666(3) 0.6639(2) 0.37336(16) 0.0068(7) Uani 1 1 d . . . . .
O33 O 0.4777(3) 0.4568(3) 0.28157(18) 0.0149(9) Uani 1 1 d . . . . .
O34 O 0.4628(3) 0.5872(3) 0.34617(18) 0.0117(8) Uani 1 1 d . . . . .
O35 O 0.6742(4) 0.3802(3) 0.3937(2) 0.0273(11) Uani 1 1 d . . . . .
O36 O 0.6986(3) 0.5242(3) 0.45228(17) 0.0097(8) Uani 1 1 d . . . . .
O37 O 1.0180(3) 0.7636(3) 0.34466(18) 0.0139(8) Uani 1 1 d . . . . .
O38 O 0.8425(3) 0.7595(3) 0.32792(18) 0.0111(8) Uani 1 1 d . . . . .
O39 O 0.8171(3) 0.7935(3) 0.46020(17) 0.0083(8) Uani 1 1 d . . . . .
O40 O 0.8610(3) 0.8456(3) 0.59764(18) 0.0118(8) Uani 1 1 d . . . . .
O41 O 1.0227(3) 0.8073(3) 0.6280(2) 0.0247(10) Uani 1 1 d . . . . .
O42 O 1.0696(3) 0.7130(3) 0.47175(18) 0.0110(8) Uani 1 1 d . . . . .
O43 O 0.9072(3) 0.6440(3) 0.46681(18) 0.0123(8) Uani 1 1 d . . . . .
O44 O 0.8053(3) 0.6560(3) 0.56652(18) 0.0101(8) Uani 1 1 d . . . . .
O45 O 0.7720(3) 0.6953(3) 0.65872(18) 0.0160(9) Uani 1 1 d . . . . .
O46 O 0.6248(3) 0.7142(2) 0.48255(17) 0.0074(7) Uani 1 1 d . . . . .
O47 O 0.4091(3) 0.7517(3) 0.42553(17) 0.0098(8) Uani 1 1 d . . . . .
O48 O 0.2786(3) 0.6890(3) 0.45840(17) 0.0093(8) Uani 1 1 d . . . . .
O49 O 0.6319(3) 0.8642(3) 0.57118(18) 0.0106(8) Uani 1 1 d . . . . .
O50 O 0.4951(3) 0.7967(3) 0.59744(18) 0.0132(8) Uani 1 1 d . . . . .
O51 O 0.7923(3) 0.9879(3) 0.53487(18) 0.0116(8) Uani 1 1 d . . . . .
O52 O 0.7764(3) 1.1319(3) 0.52241(18) 0.0115(8) Uani 1 1 d . . . . .
O53 O 0.6300(3) 0.8512(2) 0.42192(17) 0.0080(7) Uani 1 1 d . . . . .
O54 O 0.7407(3) 0.9247(3) 0.35624(18) 0.0116(8) Uani 1 1 d . . . . .
O55 O 0.6623(3) 1.0509(3) 0.35757(18) 0.0119(8) Uani 1 1 d . . . . .
O56 O 0.4459(3) 0.7672(3) 0.30932(18) 0.0102(8) Uani 1 1 d . U . . .
O57 O 0.4285(3) 0.8813(3) 0.25938(17) 0.0114(8) Uani 1 1 d . U . . .
O58 O 0.2613(3) 1.2176(3) 0.14944(18) 0.0127(8) Uani 1 1 d . . . . .
H58B H 0.3128 1.2256 0.1909 0.015 Uiso 1 1 d R U . . .
H58C H 0.2078 1.2565 0.1530 0.015 Uiso 1 1 d R U . . .
O59 O 0.3947(3) 1.3923(3) 0.14493(18) 0.0134(8) Uani 1 1 d . . . . .
H59A H 0.4690 1.4006 0.1746 0.016 Uiso 1 1 calc R U . . .
H59B H 0.3452 1.4146 0.1689 0.016 Uiso 1 1 calc R U . . .
O60 O 0.1605(3) 0.6934(3) 0.23200(19) 0.0215(10) Uani 1 1 d . . . . .
H60B H 0.1901 0.7108 0.2059 0.026 Uiso 1 1 d R U . . .
H60C H 0.1533 0.6340 0.2250 0.026 Uiso 1 1 d R U . . .
O61 O 0.2599(4) 1.0653(3) 0.2979(2) 0.0265(10) Uani 1 1 d . . . . .
H61A H 0.2653 1.0515 0.3400 0.032 Uiso 1 1 d R U . . .
H61B H 0.2103 1.1104 0.2886 0.032 Uiso 1 1 d R U . . .
O62 O 0.1023(4) 0.9129(4) 0.2896(2) 0.0354(8) Uani 1 1 d . U . . .
O63 O 0.3727(3) 0.2780(3) 0.27143(19) 0.0189(9) Uani 1 1 d . . . . .
H63B H 0.4200 0.3275 0.2821 0.023 Uiso 1 1 d R U . . .
H63C H 0.3370 0.2827 0.2981 0.023 Uiso 1 1 d R U . . .
O64 O 0.3182(4) 0.0440(3) 0.1632(2) 0.0370(9) Uani 1 1 d . . . . .
H64C H 0.2697 0.0898 0.1538 0.044 Uiso 1 1 d R U . . .
H64D H 0.3457 0.0233 0.1265 0.044 Uiso 1 1 d R U . . .
O65 O 0.5950(4) 0.0129(4) 0.1969(2) 0.0354(8) Uani 1 1 d . . . . .
H65C H 0.5822 -0.0556 0.1927 0.043 Uiso 1 1 d R U . . .
H65D H 0.5802 0.0264 0.1540 0.043 Uiso 1 1 d R U . . .
O66 O 0.9190(4) -0.0163(3) 0.3132(2) 0.0370(9) Uani 1 1 d . U . . .
H66B H 0.9277 -0.0153 0.3573 0.044 Uiso 1 1 d R U . . .
H66C H 0.8867 -0.0783 0.2870 0.044 Uiso 1 1 d R U . . .
O67 O 0.6702(3) 0.2395(3) 0.29485(19) 0.0195(9) Uani 1 1 d . . . . .
H67A H 0.6926 0.2756 0.3324 0.023 Uiso 1 1 d R U . . .
H67B H 0.6641 0.2714 0.2669 0.023 Uiso 1 1 d R U . . .
O68 O 1.0603(4) 0.5936(3) 0.5753(2) 0.0324(11) Uani 1 1 d . . . . .
H68A H 1.0588 0.6296 0.5500 0.039 Uiso 1 1 d R U . . .
H68B H 1.0691 0.6259 0.6129 0.039 Uiso 1 1 d R U . . .
O69 O 0.7669(3) 1.2116(3) 0.64895(18) 0.0132(8) Uani 1 1 d . . . . .
H69A H 0.7725 1.1548 0.6491 0.016 Uiso 1 1 d R U . . .
H69B H 0.7005 1.2161 0.6351 0.016 Uiso 1 1 d R U . . .
O70 O 0.8942(3) 1.3947(3) 0.64540(18) 0.0136(8) Uani 1 1 d . . . . .
H70A H 0.9701 1.4086 0.6737 0.016 Uiso 1 1 d R U . . .
H70B H 0.8448 1.4147 0.6701 0.016 Uiso 1 1 d R U . . .
O71 O 0.7681(4) 0.8149(3) 0.1981(2) 0.0258(10) Uani 1 1 d . . . . .
O1S O 0.2446(4) 0.4914(3) 0.1697(2) 0.0269(10) Uiso 1 1 d . . . . .
O2S O 0.7431(4) 0.4919(4) 0.6666(2) 0.0343(12) Uiso 1 1 d . . . . .
H2SA H 0.6767 0.4664 0.6516 0.041 Uiso 1 1 d R U . . .
H2SB H 0.7610 0.5486 0.6884 0.041 Uiso 1 1 d R U . . .
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'
O O 0.0106 0.0060 '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'
K K 0.2009 0.2494 '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
O16 Ni1 O25 91.27(15) . .
O16 Ni1 O7 102.71(15) . .
O25 Ni1 O7 164.54(15) . .
O16 Ni1 O24 166.56(15) . .
O25 Ni1 O24 79.83(14) . .
O7 Ni1 O24 87.47(14) . .
O16 Ni1 O17 93.80(14) . .
O25 Ni1 O17 107.17(15) . .
O7 Ni1 O17 78.78(14) . .
O24 Ni1 O17 79.43(14) . .
O16 Ni1 O1 87.16(15) . .
O25 Ni1 O1 86.36(15) . .
O7 Ni1 O1 87.77(15) . .
O24 Ni1 O1 102.16(14) . .
O17 Ni1 O1 166.40(14) . .
O16 Ni1 Ni4 147.64(11) . .
O25 Ni1 Ni4 119.04(11) . .
O7 Ni1 Ni4 46.00(10) . .
O24 Ni1 Ni4 44.59(10) . .
O17 Ni1 Ni4 88.03(10) . .
O1 Ni1 Ni4 83.99(10) . .
O16 Ni1 K6 71.94(11) . 2_665
O25 Ni1 K6 48.00(11) . 2_665
O7 Ni1 K6 130.38(11) . 2_665
O24 Ni1 K6 108.20(10) . 2_665
O17 Ni1 K6 149.09(10) . 2_665
O1 Ni1 K6 43.51(10) . 2_665
Ni4 Ni1 K6 118.86(3) . 2_665
O6 Ni2 O12 102.44(15) . .
O6 Ni2 O19 93.36(15) . .
O12 Ni2 O19 163.20(15) . .
O6 Ni2 O17 166.10(15) . .
O12 Ni2 O17 86.40(14) . .
O19 Ni2 O17 79.21(14) . .
O6 Ni2 O7 93.40(15) . .
O12 Ni2 O7 79.02(14) . .
O19 Ni2 O7 105.97(14) . .
O17 Ni2 O7 77.61(14) . .
O6 Ni2 O9 86.65(15) . .
O12 Ni2 O9 88.82(14) . .
O19 Ni2 O9 86.43(14) . .
O17 Ni2 O9 104.43(14) . .
O7 Ni2 O9 167.57(14) . .
O6 Ni2 K2 50.44(11) . .
O12 Ni2 K2 126.50(10) . .
O19 Ni2 K2 60.72(11) . .
O17 Ni2 K2 131.52(10) . .
O7 Ni2 K2 136.38(10) . .
O9 Ni2 K2 50.79(10) . .
O11 Ni3 O22 97.83(15) . .
O11 Ni3 O17 160.70(15) . .
O22 Ni3 O17 100.29(14) . .
O11 Ni3 O24 105.24(14) . .
O22 Ni3 O24 92.06(14) . .
O17 Ni3 O24 80.79(14) . .
O11 Ni3 O21 87.07(14) . .
O22 Ni3 O21 85.88(14) . .
O17 Ni3 O21 87.63(14) . .
O24 Ni3 O21 167.69(14) . .
O11 Ni3 O12 78.40(14) . .
O22 Ni3 O12 169.26(14) . .
O17 Ni3 O12 84.89(14) . .
O24 Ni3 O12 79.41(14) . .
O21 Ni3 O12 103.83(14) . .
O14 Ni4 O24 102.18(15) . .
O14 Ni4 O3 94.03(15) . .
O24 Ni4 O3 162.69(15) . .
O14 Ni4 O12 90.73(14) . .
O24 Ni4 O12 81.83(14) . .
O3 Ni4 O12 104.23(15) . .
O14 Ni4 O7 164.99(15) . .
O24 Ni4 O7 86.82(14) . .
O3 Ni4 O7 78.70(14) . .
O12 Ni4 O7 78.55(14) . .
O14 Ni4 O27 86.13(15) . .
O24 Ni4 O27 87.58(14) . .
O3 Ni4 O27 87.48(15) . .
O12 Ni4 O27 168.07(15) . .
O7 Ni4 O27 106.44(14) . .
O14 Ni4 Ni1 147.51(11) . .
O24 Ni4 Ni1 45.77(10) . .
O3 Ni4 Ni1 117.37(11) . .
O12 Ni4 Ni1 89.43(10) . .
O7 Ni4 Ni1 44.13(10) . .
O27 Ni4 Ni1 87.08(10) . .
O15 Ni5 O58 83.66(15) 2_675 .
O15 Ni5 O13 167.45(15) 2_675 2_575
O58 Ni5 O13 96.39(15) . 2_575
O15 Ni5 O23 107.33(15) 2_675 .
O58 Ni5 O23 89.83(15) . .
O13 Ni5 O23 85.22(14) 2_575 .
O15 Ni5 O59 85.20(15) 2_675 .
O58 Ni5 O59 93.19(15) . .
O13 Ni5 O59 82.26(15) 2_575 .
O23 Ni5 O59 167.37(15) . .
O15 Ni5 O18 92.96(15) 2_675 2_675
O58 Ni5 O18 175.93(15) . 2_675
O13 Ni5 O18 87.40(14) 2_575 2_675
O23 Ni5 O18 89.02(15) . 2_675
O59 Ni5 O18 88.77(15) . 2_675
O15 Ni5 K1 137.96(11) 2_675 2_675
O58 Ni5 K1 125.81(11) . 2_675
O13 Ni5 K1 50.84(10) 2_575 2_675
O23 Ni5 K1 51.60(11) . 2_675
O59 Ni5 K1 117.71(11) . 2_675
O18 Ni5 K1 55.88(10) 2_675 2_675
O15 Ni5 K2 115.63(11) 2_675 1_565
O58 Ni5 K2 133.16(11) . 1_565
O13 Ni5 K2 55.78(10) 2_575 1_565
O23 Ni5 K2 119.99(11) . 1_565
O59 Ni5 K2 50.44(11) . 1_565
O18 Ni5 K2 50.50(10) 2_675 1_565
K1 Ni5 K2 68.47(3) 2_675 1_565
O20 Ni6 O8 103.39(15) . .
O20 Ni6 O30 99.40(16) . .
O8 Ni6 O30 97.27(16) . .
O20 Ni6 O57 99.22(15) . .
O8 Ni6 O57 99.18(15) . .
O30 Ni6 O57 151.48(15) . .
O20 Ni6 O56 150.70(14) . .
O8 Ni6 O56 100.72(14) . .
O30 Ni6 O56 93.78(15) . .
O57 Ni6 O56 60.36(14) . .
O20 Ni6 O31 93.51(14) . .
O8 Ni6 O31 154.36(14) . .
O30 Ni6 O31 60.54(14) . .
O57 Ni6 O31 96.92(14) . .
O56 Ni6 O31 70.45(13) . .
O20 Ni6 C25 100.48(16) . .
O8 Ni6 C25 125.62(17) . .
O30 Ni6 C25 30.44(17) . .
O57 Ni6 C25 124.10(17) . .
O56 Ni6 C25 78.27(15) . .
O31 Ni6 C25 30.38(15) . .
O20 Ni6 C48 124.66(16) . .
O8 Ni6 C48 105.62(16) . .
O30 Ni6 C48 121.96(16) . .
O57 Ni6 C48 30.43(16) . .
O56 Ni6 C48 30.43(15) . .
O31 Ni6 C48 79.25(15) . .
C25 Ni6 C48 99.33(17) . .
O20 Ni6 K3 93.61(11) . .
O8 Ni6 K3 55.52(11) . .
O30 Ni6 K3 152.11(12) . .
O57 Ni6 K3 46.45(11) . .
O56 Ni6 K3 86.45(9) . .
O31 Ni6 K3 143.37(9) . .
C25 Ni6 K3 164.64(12) . .
C48 Ni6 K3 67.25(12) . .
O54 Ni7 O38 94.32(15) . .
O54 Ni7 O32 164.64(15) . .
O38 Ni7 O32 99.35(15) . .
O54 Ni7 O53 79.35(14) . .
O38 Ni7 O53 166.48(15) . .
O32 Ni7 O53 88.65(14) . .
O54 Ni7 O39 108.05(15) . .
O38 Ni7 O39 93.72(15) . .
O32 Ni7 O39 78.16(14) . .
O53 Ni7 O39 77.18(14) . .
O54 Ni7 O31 87.49(15) . .
O38 Ni7 O31 85.19(14) . .
O32 Ni7 O31 86.70(14) . .
O53 Ni7 O31 106.26(14) . .
O39 Ni7 O31 164.46(14) . .
O54 Ni7 Ni10 117.44(11) . .
O38 Ni7 Ni10 145.59(11) . .
O32 Ni7 Ni10 47.69(10) . .
O53 Ni7 Ni10 45.56(10) . .
O39 Ni7 Ni10 88.88(10) . .
O31 Ni7 Ni10 83.44(10) . .
O36 Ni8 O46 100.02(15) . .
O36 Ni8 O43 95.50(15) . .
O46 Ni8 O43 162.47(15) . .
O36 Ni8 O32 93.65(15) . .
O46 Ni8 O32 79.50(14) . .
O43 Ni8 O32 107.73(14) . .
O36 Ni8 O39 166.82(15) . .
O46 Ni8 O39 87.97(14) . .
O43 Ni8 O39 78.38(14) . .
O32 Ni8 O39 77.39(14) . .
O36 Ni8 O44 83.43(15) . .
O46 Ni8 O44 87.59(14) . .
O43 Ni8 O44 86.12(14) . .
O32 Ni8 O44 166.08(14) . .
O39 Ni8 O44 107.55(14) . .
O36 Ni8 Ni11 146.44(11) . .
O46 Ni8 Ni11 48.08(10) . .
O43 Ni8 Ni11 114.96(11) . .
O32 Ni8 Ni11 90.26(10) . .
O39 Ni8 Ni11 44.67(10) . .
O44 Ni8 Ni11 84.88(10) . .
O49 Ni11 O51 97.44(15) . .
O49 Ni11 O39 161.12(15) . .
O51 Ni11 O39 100.09(15) . .
O49 Ni11 O53 106.81(15) . .
O51 Ni11 O53 93.20(15) . .
O39 Ni11 O53 79.20(14) . .
O49 Ni11 O46 78.25(14) . .
O51 Ni11 O46 167.53(14) . .
O39 Ni11 O46 85.94(14) . .
O53 Ni11 O46 77.11(13) . .
O49 Ni11 O40 88.71(15) . .
O51 Ni11 O40 84.96(15) . .
O39 Ni11 O40 85.93(14) . .
O53 Ni11 O40 164.48(14) . .
O46 Ni11 O40 106.47(14) . .
O49 Ni11 Ni8 114.95(11) . .
O51 Ni11 Ni8 145.14(11) . .
O39 Ni11 Ni8 46.44(10) . .
O53 Ni11 Ni8 89.57(10) . .
O46 Ni11 Ni8 44.11(9) . .
O40 Ni11 Ni8 83.33(10) . .
O47 Ni10 O34 94.49(15) . .
O47 Ni10 O53 100.41(15) . .
O34 Ni10 O53 163.87(15) . .
O47 Ni10 O46 91.19(14) . .
O34 Ni10 O46 105.14(15) . .
O53 Ni10 O46 80.86(14) . .
O47 Ni10 O32 164.90(14) . .
O34 Ni10 O32 78.56(14) . .
O53 Ni10 O32 88.30(14) . .
O46 Ni10 O32 77.94(14) . .
O47 Ni10 O56 84.32(14) . .
O34 Ni10 O56 88.95(15) . .
O53 Ni10 O56 86.43(14) . .
O46 Ni10 O56 165.54(14) . .
O32 Ni10 O56 108.71(14) . .
O47 Ni10 Ni7 147.02(11) . .
O34 Ni10 Ni7 116.50(11) . .
O53 Ni10 Ni7 47.71(10) . .
O46 Ni10 Ni7 91.24(10) . .
O32 Ni10 Ni7 45.16(10) . .
O56 Ni10 Ni7 85.22(10) . .
O45 Ni9 O41 148.0(2) . .
O45 Ni9 O2 102.39(18) . 1_656
O41 Ni9 O2 94.56(18) . 1_656
O45 Ni9 O28 94.91(17) . 1_656
O41 Ni9 O28 105.03(18) . 1_656
O2 Ni9 O28 109.1(2) 1_656 1_656
O45 Ni9 O40 92.82(17) . .
O41 Ni9 O40 61.11(17) . .
O2 Ni9 O40 149.92(17) 1_656 .
O28 Ni9 O40 95.08(15) 1_656 .
O45 Ni9 C36 120.2(2) . .
O41 Ni9 C36 30.93(18) . .
O2 Ni9 C36 122.72(18) 1_656 .
O28 Ni9 C36 103.71(17) 1_656 .
O40 Ni9 C36 30.31(16) . .
O45 Ni9 C37 30.12(17) . .
O41 Ni9 C37 119.2(2) . .
O2 Ni9 C37 104.33(17) 1_656 .
O28 Ni9 C37 121.02(17) 1_656 .
O40 Ni9 C37 76.52(17) . .
C36 Ni9 C37 96.8(2) . .
O45 Ni9 K6 167.09(14) . 2_766
O41 Ni9 K6 42.09(13) . 2_766
O2 Ni9 K6 81.09(13) 1_656 2_766
O28 Ni9 K6 72.26(12) 1_656 2_766
O40 Ni9 K6 89.85(10) . 2_766
C36 Ni9 K6 65.92(13) . 2_766
C37 Ni9 K6 161.32(15) . 2_766
O2 Ni9' O28 151.9(10) 1_656 1_656
O2 Ni9' O45 105.4(4) 1_656 .
O28 Ni9' O45 97.6(3) 1_656 .
O2 Ni9' C23 122.8(9) 1_656 1_656
O28 Ni9' C23 33.8(3) 1_656 1_656
O45 Ni9' C23 102.9(3) . 1_656
O2 Ni9' O27 96.3(7) 1_656 1_656
O28 Ni9' O27 64.7(5) 1_656 1_656
O45 Ni9' O27 96.5(3) . 1_656
C23 Ni9' O27 31.5(3) 1_656 1_656
O2 Ni9' C1 32.1(3) 1_656 1_656
O28 Ni9' C1 119.9(8) 1_656 1_656
O45 Ni9' C1 132.2(4) . 1_656
C23 Ni9' C1 94.9(6) 1_656 1_656
O27 Ni9' C1 76.5(5) 1_656 1_656
O2 Ni9' K6 88.2(3) 1_656 2_766
O28 Ni9' K6 77.6(2) 1_656 2_766
O45 Ni9' K6 153.6(6) . 2_766
C23 Ni9' K6 87.5(3) 1_656 2_766
O27 Ni9' K6 104.4(4) 1_656 2_766
C1 Ni9' K6 69.5(2) 1_656 2_766
O37 Ni12 O69 85.69(15) 2_776 .
O37 Ni12 O48 164.54(16) 2_776 2_676
O69 Ni12 O48 95.39(15) . 2_676
O37 Ni12 O52 110.21(16) 2_776 .
O69 Ni12 O52 89.59(16) . .
O48 Ni12 O52 85.23(15) 2_676 .
O37 Ni12 O70 83.19(16) 2_776 .
O69 Ni12 O70 95.59(16) . .
O48 Ni12 O70 81.36(15) 2_676 .
O52 Ni12 O70 166.02(15) . .
O37 Ni12 O42 93.21(15) 2_776 2_776
O69 Ni12 O42 174.46(15) . 2_776
O48 Ni12 O42 87.12(14) 2_676 2_776
O52 Ni12 O42 85.70(15) . 2_776
O70 Ni12 O42 89.66(15) . 2_776
O37 Ni12 K7 140.71(11) 2_776 1_565
O69 Ni12 K7 123.61(11) . 1_565
O48 Ni12 K7 49.27(10) 2_676 1_565
O52 Ni12 K7 51.76(11) . 1_565
O70 Ni12 K7 115.24(11) . 1_565
O42 Ni12 K7 54.95(10) 2_776 1_565
O37 Ni12 K8 116.67(12) 2_776 1_565
O69 Ni12 K8 133.38(11) . 1_565
O48 Ni12 K8 52.54(10) 2_676 1_565
O52 Ni12 K8 115.90(11) . 1_565
O70 Ni12 K8 51.93(11) . 1_565
O42 Ni12 K8 51.78(10) 2_776 1_565
K7 Ni12 K8 64.27(3) 1_565 1_565
O5 K1 O13 87.36(13) 2_665 1_655
O5 K1 O26 126.88(13) 2_665 2_675
O13 K1 O26 136.26(12) 1_655 2_675
O5 K1 O23 150.07(13) 2_665 2_675
O13 K1 O23 62.74(11) 1_655 2_675
O26 K1 O23 80.45(12) 2_675 2_675
O5 K1 O71 74.97(14) 2_665 .
O13 K1 O71 162.10(13) 1_655 .
O26 K1 O71 60.26(13) 2_675 .
O23 K1 O71 134.81(13) 2_675 .
O5 K1 O18 103.17(13) 2_665 .
O13 K1 O18 62.65(11) 1_655 .
O26 K1 O18 121.81(12) 2_675 .
O23 K1 O18 63.39(11) 2_675 .
O71 K1 O18 118.12(13) . .
O5 K1 O10 76.50(13) 2_665 1_655
O13 K1 O10 81.57(11) 1_655 1_655
O26 K1 O10 81.63(12) 2_675 1_655
O23 K1 O10 98.77(12) 2_675 1_655
O71 K1 O10 96.75(13) . 1_655
O18 K1 O10 144.10(11) . 1_655
O5 K1 C11 86.76(14) 2_665 1_655
O13 K1 C11 20.41(12) 1_655 1_655
O26 K1 C11 123.17(13) 2_675 1_655
O23 K1 C11 65.73(12) 2_675 1_655
O71 K1 C11 154.79(14) . 1_655
O18 K1 C11 82.52(12) . 1_655
O10 K1 C11 61.58(12) 1_655 1_655
O5 K1 O29 56.68(13) 2_665 .
O13 K1 O29 95.20(11) 1_655 .
O26 K1 O29 125.15(12) 2_675 .
O23 K1 O29 121.22(12) 2_675 .
O71 K1 O29 72.86(13) . .
O18 K1 O29 58.28(11) . .
O10 K1 O29 133.19(12) 1_655 .
C11 K1 O29 111.46(12) 1_655 .
O5 K1 Ni5 116.28(10) 2_665 2_675
O13 K1 Ni5 36.80(8) 1_655 2_675
O26 K1 Ni5 116.58(10) 2_675 2_675
O23 K1 Ni5 36.85(8) 2_675 2_675
O71 K1 Ni5 152.90(11) . 2_675
O18 K1 Ni5 37.54(7) . 2_675
O10 K1 Ni5 109.67(8) 1_655 2_675
C11 K1 Ni5 51.74(9) 1_655 2_675
O29 K1 Ni5 92.41(9) . 2_675
O5 K1 K4 49.48(10) 2_665 1_655
O13 K1 K4 118.53(9) 1_655 1_655
O26 K1 K4 79.24(10) 2_675 1_655
O23 K1 K4 145.80(9) 2_675 1_655
O71 K1 K4 50.87(10) . 1_655
O18 K1 K4 150.35(9) . 1_655
O10 K1 K4 51.18(8) 1_655 1_655
C11 K1 K4 103.99(10) 1_655 1_655
O29 K1 K4 92.98(9) . 1_655
Ni5 K1 K4 155.22(5) 2_675 1_655
O5 K1 C19 162.87(14) 2_665 2_675
O13 K1 C19 78.05(11) 1_655 2_675
O26 K1 C19 62.66(12) 2_675 2_675
O23 K1 C19 18.07(11) 2_675 2_675
O71 K1 C19 119.86(13) . 2_675
O18 K1 C19 78.16(12) . 2_675
O10 K1 C19 92.36(12) 1_655 2_675
C11 K1 C19 76.42(12) 1_655 2_675
O29 K1 C19 132.92(12) . 2_675
Ni5 K1 C19 54.92(9) 2_675 2_675
K4 K1 C19 131.45(10) 1_655 2_675
O29 K2 O18 114.64(13) . 2_665
O29 K2 O59 105.35(13) . 1_545
O18 K2 O59 61.66(11) 2_665 1_545
O29 K2 O9 74.53(12) . .
O18 K2 O9 168.16(11) 2_665 .
O59 K2 O9 109.61(11) 1_545 .
O29 K2 O6 114.97(13) . .
O18 K2 O6 119.90(12) 2_665 .
O59 K2 O6 129.97(12) 1_545 .
O9 K2 O6 58.28(10) . .
O29 K2 O29 95.58(14) . 2_665
O18 K2 O29 63.59(12) 2_665 2_665
O59 K2 O29 125.23(13) 1_545 2_665
O9 K2 O29 124.73(12) . 2_665
O6 K2 O29 79.94(12) . 2_665
O29 K2 O13 160.26(12) . 2_565
O18 K2 O13 58.39(10) 2_665 2_565
O59 K2 O13 54.91(10) 1_545 2_565
O9 K2 O13 110.40(11) . 2_565
O6 K2 O13 82.48(11) . 2_565
O29 K2 O13 96.65(13) 2_665 2_565
O29 K2 O19 59.93(12) . .
O18 K2 O19 135.43(11) 2_665 .
O59 K2 O19 159.69(11) 1_545 .
O9 K2 O19 55.03(10) . .
O6 K2 O19 56.93(10) . .
O29 K2 O19 72.72(12) 2_665 .
O13 K2 O19 139.01(10) 2_565 .
O29 K2 O19 73.70(12) . 2_665
O18 K2 O19 41.75(10) 2_665 2_665
O59 K2 O19 79.44(11) 1_545 2_665
O9 K2 O19 148.22(11) . 2_665
O6 K2 O19 138.59(11) . 2_665
O29 K2 O19 58.67(11) 2_665 2_665
O13 K2 O19 99.75(10) 2_565 2_665
O19 K2 O19 106.98(9) . 2_665
O29 K2 C5 118.60(14) . .
O18 K2 C5 102.75(13) 2_665 .
O59 K2 C5 135.50(13) 1_545 .
O9 K2 C5 77.67(12) . .
O6 K2 C5 20.95(12) . .
O29 K2 C5 59.65(13) 2_665 .
O13 K2 C5 81.04(12) 2_565 .
O19 K2 C5 59.17(12) . .
O19 K2 C5 117.95(12) 2_665 .
O29 K2 C16 94.71(14) . 2_665
O18 K2 C16 20.46(12) 2_665 2_665
O59 K2 C16 69.68(12) 1_545 2_665
O9 K2 C16 168.77(13) . 2_665
O6 K2 C16 131.24(12) . 2_665
O29 K2 C16 58.44(13) 2_665 2_665
O13 K2 C16 78.70(12) 2_565 2_665
O19 K2 C16 122.43(12) . 2_665
O19 K2 C16 21.31(11) 2_665 2_665
C5 K2 C16 110.99(13) . 2_665
O29 K2 Ni5 129.17(10) . 1_545
O18 K2 Ni5 34.70(7) 2_665 1_545
O59 K2 Ni5 34.12(8) 1_545 1_545
O9 K2 Ni5 133.79(8) . 1_545
O6 K2 Ni5 115.82(9) . 1_545
O29 K2 Ni5 94.92(10) 2_665 1_545
O13 K2 Ni5 34.14(7) 2_565 1_545
O19 K2 Ni5 166.19(8) . 1_545
O19 K2 Ni5 70.11(7) 2_665 1_545
C5 K2 Ni5 109.54(10) . 1_545
C16 K2 Ni5 51.44(9) 2_665 1_545
O64 K3 O57 86.46(14) 1_565 .
O64 K3 O11 78.39(14) 1_565 .
O57 K3 O11 131.07(12) . .
O64 K3 O61 72.35(14) 1_565 .
O57 K3 O61 84.25(13) . .
O11 K3 O61 132.19(13) . .
O64 K3 O62 126.23(15) 1_565 .
O57 K3 O62 104.84(13) . .
O11 K3 O62 121.69(13) . .
O61 K3 O62 57.34(13) . .
O64 K3 C12 103.47(15) 1_565 .
O57 K3 C12 131.99(13) . .
O11 K3 C12 25.09(13) . .
O61 K3 C12 143.69(15) . .
O62 K3 C12 105.97(14) . .
O64 K3 O10 120.19(14) 1_565 .
O57 K3 O10 141.83(12) . .
O11 K3 O10 45.20(11) . .
O61 K3 O10 127.66(13) . .
O62 K3 O10 81.99(13) . .
C12 K3 O10 24.01(12) . .
O64 K3 O21 64.37(13) 1_565 .
O57 K3 O21 73.28(11) . .
O11 K3 O21 58.15(10) . .
O61 K3 O21 131.82(12) . .
O62 K3 O21 169.36(13) . .
C12 K3 O21 69.68(12) . .
O10 K3 O21 93.14(11) . .
O64 K3 O8 118.16(14) 1_565 .
O57 K3 O8 63.15(11) . .
O11 K3 O8 83.73(11) . .
O61 K3 O8 143.60(13) . .
O62 K3 O8 113.59(13) . .
C12 K3 O8 71.08(12) . .
O10 K3 O8 79.54(11) . .
O21 K3 O8 56.01(10) . .
O64 K3 O60 165.19(14) 1_565 .
O57 K3 O60 81.03(11) . .
O11 K3 O60 103.99(11) . .
O61 K3 O60 113.91(12) . .
O62 K3 O60 65.31(12) . .
C12 K3 O60 79.53(13) . .
O10 K3 O60 67.67(11) . .
O21 K3 O60 104.10(10) . .
O8 K3 O60 48.60(10) . .
O64 K3 Ni6 97.82(12) 1_565 .
O57 K3 Ni6 32.40(8) . .
O11 K3 Ni6 104.02(8) . .
O61 K3 Ni6 116.60(10) . .
O62 K3 Ni6 119.79(11) . .
C12 K3 Ni6 99.71(11) . .
O10 K3 Ni6 111.62(9) . .
O21 K3 Ni6 53.32(7) . .
O8 K3 Ni6 32.22(7) . .
O60 K3 Ni6 67.38(8) . .
O64 K3 K5 41.36(11) 1_565 1_565
O57 K3 K5 54.91(8) . 1_565
O11 K3 K5 119.10(9) . 1_565
O61 K3 K5 49.76(9) . 1_565
O62 K3 K5 104.68(10) . 1_565
C12 K3 K5 143.71(11) . 1_565
O10 K3 K5 160.61(9) . 1_565
O21 K3 K5 82.99(8) . 1_565
O8 K3 K5 113.02(8) . 1_565
O60 K3 K5 131.70(8) . 1_565
Ni6 K3 K5 81.25(3) . 1_565
O64 K3 H60B 155.0 1_565 .
O57 K3 H60B 77.8 . .
O11 K3 H60B 97.4 . .
O61 K3 H60B 124.3 . .
O62 K3 H60B 77.1 . .
C12 K3 H60B 74.3 . .
O10 K3 H60B 67.1 . .
O21 K3 H60B 92.3 . .
O8 K3 H60B 37.0 . .
O60 K3 H60B 11.9 . .
Ni6 K3 H60B 58.9 . .
K5 K3 H60B 131.9 1_565 .
O5 K4 O60 110.63(14) 2_565 .
O5 K4 O71 73.37(14) 2_565 1_455
O60 K4 O71 175.24(14) . 1_455
O5 K4 O37 132.01(14) 2_565 1_455
O60 K4 O37 80.85(12) . 1_455
O71 K4 O37 98.42(13) 1_455 1_455
O5 K4 O62 161.49(15) 2_565 .
O60 K4 O62 77.31(14) . .
O71 K4 O62 98.11(15) 1_455 .
O37 K4 O62 64.63(13) 1_455 .
O5 K4 O10 77.53(13) 2_565 .
O60 K4 O10 80.11(13) . .
O71 K4 O10 98.57(13) 1_455 .
O37 K4 O10 149.35(13) 1_455 .
O62 K4 O10 87.82(13) . .
O5 K4 O4 73.39(12) 2_565 2_565
O60 K4 O4 53.01(12) . 2_565
O71 K4 O4 131.57(13) 1_455 2_565
O37 K4 O4 79.22(11) 1_455 2_565
O62 K4 O4 122.51(13) . 2_565
O10 K4 O4 107.42(12) . 2_565
O5 K4 O38 101.81(13) 2_565 1_455
O60 K4 O38 120.00(12) . 1_455
O71 K4 O38 60.54(11) 1_455 1_455
O37 K4 O38 41.26(10) 1_455 1_455
O62 K4 O38 87.42(12) . 1_455
O10 K4 O38 157.60(12) . 1_455
O4 K4 O38 93.55(10) 2_565 1_455
O5 K4 C31 122.13(15) 2_565 1_455
O60 K4 C31 102.28(13) . 1_455
O71 K4 C31 77.07(13) 1_455 1_455
O37 K4 C31 21.42(12) 1_455 1_455
O62 K4 C31 69.97(14) . 1_455
O10 K4 C31 156.22(13) . 1_455
O4 K4 C31 92.14(12) 2_565 1_455
O38 K4 C31 21.71(11) 1_455 1_455
O5 K4 K1 47.93(9) 2_565 1_455
O60 K4 K1 130.68(10) . 1_455
O71 K4 K1 49.92(9) 1_455 1_455
O37 K4 K1 148.34(9) 1_455 1_455
O62 K4 K1 114.00(11) . 1_455
O10 K4 K1 54.12(9) . 1_455
O4 K4 K1 119.76(8) 2_565 1_455
O38 K4 K1 108.68(8) 1_455 1_455
C31 K4 K1 126.96(10) 1_455 1_455
O64 K5 O67 126.98(14) . .
O64 K5 O50 137.75(14) . 2_666
O67 K5 O50 83.11(12) . 2_666
O64 K5 O65 79.69(15) . .
O67 K5 O65 75.55(13) . .
O50 K5 O65 141.58(14) 2_666 .
O64 K5 O55 139.47(14) . 1_545
O67 K5 O55 71.99(11) . 1_545
O50 K5 O55 72.24(11) 2_666 1_545
O65 K5 O55 70.93(13) . 1_545
O64 K5 O63 80.57(14) . .
O67 K5 O63 84.96(12) . .
O50 K5 O63 72.76(11) 2_666 .
O65 K5 O63 134.93(14) . .
O55 K5 O63 139.88(11) 1_545 .
O64 K5 O61 68.14(14) . 1_545
O67 K5 O61 150.33(13) . 1_545
O50 K5 O61 72.66(11) 2_666 1_545
O65 K5 O61 134.07(14) . 1_545
O55 K5 O61 114.74(12) 1_545 1_545
O63 K5 O61 71.86(12) . 1_545
O64 K5 O57 74.36(13) . 1_545
O67 K5 O57 133.56(11) . 1_545
O50 K5 O57 107.83(11) 2_666 1_545
O65 K5 O57 68.40(12) . 1_545
O55 K5 O57 69.25(10) 1_545 1_545
O63 K5 O57 141.47(11) . 1_545
O61 K5 O57 71.84(11) 1_545 1_545
O64 K5 K7 174.12(12) . .
O67 K5 K7 47.13(8) . .
O50 K5 K7 45.98(8) 2_666 .
O65 K5 K7 97.63(11) . .
O55 K5 K7 42.54(8) 1_545 .
O63 K5 K7 97.96(8) . .
O61 K5 K7 116.93(9) 1_545 .
O57 K5 K7 109.65(7) 1_545 .
O64 K5 K3 40.09(11) . 1_545
O67 K5 K3 162.64(9) . 1_545
O50 K5 K3 114.20(9) 2_666 1_545
O65 K5 K3 89.03(11) . 1_545
O55 K5 K3 110.83(8) 1_545 1_545
O63 K5 K3 100.97(9) . 1_545
O61 K5 K3 45.37(9) 1_545 1_545
O57 K5 K3 42.29(7) 1_545 1_545
K7 K5 K3 145.54(5) . 1_545
O64 K5 K6 119.82(12) . .
O67 K5 K6 42.74(9) . .
O50 K5 K6 102.42(9) 2_666 .
O65 K5 K6 41.73(10) . .
O55 K5 K6 45.79(8) 1_545 .
O63 K5 K6 126.96(9) . .
O61 K5 K6 159.10(10) 1_545 .
O57 K5 K6 91.14(7) 1_545 .
K7 K5 K6 56.63(3) . .
K3 K5 K6 126.65(4) 1_545 .
O66 K6 O41 69.72(15) . 2_766
O66 K6 O65 112.98(16) . .
O41 K6 O65 171.62(15) 2_766 .
O66 K6 O1 119.75(15) . 2_665
O41 K6 O1 76.95(13) 2_766 2_665
O65 K6 O1 107.22(14) . 2_665
O66 K6 O67 156.00(15) . .
O41 K6 O67 96.42(13) 2_766 .
O65 K6 O67 78.18(14) . .
O1 K6 O67 73.40(12) 2_665 .
O66 K6 O55 90.33(14) . 1_545
O41 K6 O55 99.45(13) 2_766 1_545
O65 K6 O55 72.88(13) . 1_545
O1 K6 O55 144.75(12) 2_665 1_545
O67 K6 O55 72.21(11) . 1_545
O66 K6 O25 108.27(14) . 2_665
O41 K6 O25 128.41(13) 2_766 2_665
O65 K6 O25 59.09(13) . 2_665
O1 K6 O25 59.19(11) 2_665 2_665
O67 K6 O25 95.71(12) . 2_665
O55 K6 O25 131.96(11) 1_545 2_665
O66 K6 C24 87.19(15) . 2_665
O41 K6 C24 115.81(14) 2_766 2_665
O65 K6 C24 72.52(14) . 2_665
O1 K6 C24 64.29(12) 2_665 2_665
O67 K6 C24 116.76(13) . 2_665
O55 K6 C24 141.11(13) 1_545 2_665
O25 K6 C24 21.97(12) 2_665 2_665
O66 K6 Ni9' 83.4(2) . 2_766
O41 K6 Ni9' 40.9(3) 2_766 2_766
O65 K6 Ni9' 145.8(3) . 2_766
O1 K6 Ni9' 41.5(2) 2_665 2_766
O67 K6 Ni9' 98.98(14) . 2_766
O55 K6 Ni9' 139.4(3) 1_545 2_766
O25 K6 Ni9' 87.7(3) 2_665 2_766
C24 K6 Ni9' 78.8(2) 2_665 2_766
O66 K6 K7 107.65(12) . .
O41 K6 K7 69.38(10) 2_766 .
O65 K6 K7 102.32(11) . .
O1 K6 K7 105.27(9) 2_665 .
O67 K6 K7 48.36(9) . .
O55 K6 K7 43.62(8) 1_545 .
O25 K6 K7 143.83(9) 2_665 .
C24 K6 K7 165.05(10) 2_665 .
Ni9' K6 K7 100.55(19) 2_766 .
O66 K6 Ni9 76.56(12) . 2_766
O41 K6 Ni9 29.35(11) 2_766 2_766
O65 K6 Ni9 157.64(12) . 2_766
O1 K6 Ni9 52.45(9) 2_665 2_766
O67 K6 Ni9 101.22(9) . 2_766
O55 K6 Ni9 128.64(9) 1_545 2_766
O25 K6 Ni9 99.06(9) 2_665 2_766
C24 K6 Ni9 88.37(10) 2_665 2_766
K7 K6 Ni9 93.22(4) . 2_766
O66 K6 Ni1 127.56(12) . 2_665
O41 K6 Ni1 108.12(11) 2_766 2_665
O65 K6 Ni1 76.86(11) . 2_665
O1 K6 Ni1 31.51(8) 2_665 2_665
O67 K6 Ni1 74.69(9) . 2_665
O55 K6 Ni1 138.75(8) 1_545 2_665
O25 K6 Ni1 30.77(7) 2_665 2_665
C24 K6 Ni1 44.89(9) 2_665 2_665
Ni9' K6 Ni1 69.6(3) 2_766 2_665
K7 K6 Ni1 120.68(4) . 2_665
Ni9 K6 Ni1 81.41(5) 2_766 2_665
O66 K6 H66B 17.3 . .
O41 K6 H66B 62.8 2_766 .
O65 K6 H66B 117.3 . .
O1 K6 H66B 128.1 2_665 .
O67 K6 H66B 138.7 . .
O55 K6 H66B 76.5 1_545 .
O25 K6 H66B 125.4 2_665 .
C24 K6 H66B 104.5 2_665 .
Ni9' K6 H66B 87.5 2_766 .
K7 K6 H66B 90.3 . .
Ni9 K6 H66B 78.1 2_766 .
Ni1 K6 H66B 143.6 2_665 .
O66 K6 H66C 17.4 . .
O41 K6 H66C 87.1 2_766 .
O65 K6 H66C 95.9 . .
O1 K6 H66C 126.1 2_665 .
O67 K6 H66C 160.4 . .
O55 K6 H66C 88.2 1_545 .
O25 K6 H66C 97.1 2_665 .
C24 K6 H66C 78.2 2_665 .
Ni9' K6 H66C 96.3 2_766 .
K7 K6 H66C 116.6 . .
Ni9 K6 H66C 91.3 2_766 .
Ni1 K6 H66C 122.6 2_665 .
H66B K6 H66C 30.0 . .
O55 K7 O35 129.69(14) 1_545 .
O55 K7 O48 131.20(12) 1_545 2_666
O35 K7 O48 84.12(12) . 2_666
O55 K7 O50 77.81(12) 1_545 2_666
O35 K7 O50 75.45(14) . 2_666
O48 K7 O50 79.59(11) 2_666 2_666
O55 K7 O52 79.72(11) 1_545 1_545
O35 K7 O52 145.19(13) . 1_545
O48 K7 O52 61.08(11) 2_666 1_545
O50 K7 O52 97.37(12) 2_666 1_545
O55 K7 O67 76.28(12) 1_545 .
O35 K7 O67 58.90(12) . .
O48 K7 O67 142.14(12) 2_666 .
O50 K7 O67 83.14(12) 2_666 .
O52 K7 O67 155.34(12) 1_545 .
O55 K7 O42 122.81(12) 1_545 2_766
O35 K7 O42 104.61(13) . 2_766
O48 K7 O42 61.46(11) 2_666 2_766
O50 K7 O42 140.57(11) 2_666 2_766
O52 K7 O42 59.64(11) 1_545 2_766
O67 K7 O42 131.59(12) . 2_766
O55 K7 C42 118.30(13) 1_545 2_666
O35 K7 C42 81.82(13) . 2_666
O48 K7 C42 20.58(12) 2_666 2_666
O50 K7 C42 59.15(12) 2_666 2_666
O52 K7 C42 65.92(12) 1_545 2_666
O67 K7 C42 131.82(13) . 2_666
O42 K7 C42 81.62(12) 2_766 2_666
O55 K7 Ni12 115.13(9) 1_545 1_545
O35 K7 Ni12 112.90(10) . 1_545
O48 K7 Ni12 35.31(8) 2_666 1_545
O50 K7 Ni12 106.15(9) 2_666 1_545
O52 K7 Ni12 35.48(8) 1_545 1_545
O67 K7 Ni12 166.27(9) . 1_545
O42 K7 Ni12 36.38(7) 2_766 1_545
C42 K7 Ni12 51.16(9) 2_666 1_545
O55 K7 K6 50.73(9) 1_545 .
O35 K7 K6 102.67(10) . .
O48 K7 K6 168.20(9) 2_666 .
O50 K7 K6 111.30(9) 2_666 .
O52 K7 K6 111.52(9) 1_545 .
O67 K7 K6 47.17(9) . .
O42 K7 K6 107.14(8) 2_766 .
C42 K7 K6 168.45(10) 2_666 .
Ni12 K7 K6 133.42(4) 1_545 .
O55 K7 K8 170.60(10) 1_545 .
O35 K7 K8 58.61(10) . .
O48 K7 K8 48.88(8) 2_666 .
O50 K7 K8 110.33(9) 2_666 .
O52 K7 K8 94.25(8) 1_545 .
O67 K7 K8 108.76(9) . .
O42 K7 K8 47.88(8) 2_766 .
C42 K7 K8 64.66(9) 2_666 .
Ni12 K7 K8 58.85(3) 1_545 .
K6 K7 K8 126.79(4) . .
O55 K7 K5 49.31(9) 1_545 .
O35 K7 K5 81.80(11) . .
O48 K7 K5 126.37(9) 2_666 .
O50 K7 K5 46.79(8) 2_666 .
O52 K7 K5 118.33(9) 1_545 .
O67 K7 K5 46.37(9) . .
O42 K7 K5 170.92(8) 2_766 .
C42 K7 K5 105.92(10) 2_666 .
Ni12 K7 K5 146.86(4) 1_545 .
K6 K7 K5 64.73(3) . .
K8 K7 K5 139.80(4) . .
O55 K7 H67A 90.6 1_545 .
O35 K7 H67A 45.7 . .
O48 K7 H67A 129.8 2_666 .
O50 K7 H67A 85.3 2_666 .
O52 K7 H67A 169.1 1_545 .
O67 K7 H67A 14.3 . .
O42 K7 H67A 123.6 2_766 .
C42 K7 H67A 123.9 2_666 .
Ni12 K7 H67A 153.3 1_545 .
K6 K7 H67A 57.9 . .
K8 K7 H67A 94.7 . .
K5 K7 H67A 56.6 . .
O36 K8 O68 113.36(13) . .
O36 K8 O42 130.98(12) . 2_766
O68 K8 O42 104.62(13) . 2_766
O36 K8 O70 135.72(12) . 1_545
O68 K8 O70 98.17(13) . 1_545
O42 K8 O70 62.39(11) 2_766 1_545
O36 K8 O68 87.18(13) . 2_766
O68 K8 O68 82.15(16) . 2_766
O42 K8 O68 68.10(12) 2_766 2_766
O70 K8 O68 128.87(13) 1_545 2_766
O36 K8 O48 91.72(11) . 2_666
O68 K8 O48 153.65(13) . 2_666
O42 K8 O48 60.09(11) 2_766 2_666
O70 K8 O48 56.24(11) 1_545 2_666
O68 K8 O48 108.15(13) 2_766 2_666
O36 K8 O44 57.39(10) . .
O68 K8 O44 74.70(12) . .
O42 K8 O44 168.67(12) 2_766 .
O70 K8 O44 106.36(11) 1_545 .
O68 K8 O44 122.49(13) 2_766 .
O48 K8 O44 115.80(11) 2_666 .
O36 K8 O35 41.03(11) . .
O68 K8 O35 134.81(13) . .
O42 K8 O35 90.08(11) 2_766 .
O70 K8 O35 126.03(12) 1_545 .
O68 K8 O35 63.91(13) 2_766 .
O48 K8 O35 69.85(11) 2_666 .
O44 K8 O35 98.33(11) . .
O36 K8 O43 57.60(10) . .
O68 K8 O43 57.15(12) . .
O42 K8 O43 135.51(11) 2_766 .
O70 K8 O43 149.88(11) 1_545 .
O68 K8 O43 69.24(12) 2_766 .
O48 K8 O43 148.99(11) 2_666 .
O44 K8 O43 53.85(10) . .
O35 K8 O43 82.32(10) . .
O36 K8 Ni12 125.96(9) . 1_545
O68 K8 Ni12 120.61(11) . 1_545
O42 K8 Ni12 35.45(8) 2_766 1_545
O70 K8 Ni12 35.14(8) 1_545 1_545
O68 K8 Ni12 102.03(10) 2_766 1_545
O48 K8 Ni12 34.58(7) 2_666 1_545
O44 K8 Ni12 135.12(8) . 1_545
O35 K8 Ni12 96.11(8) . 1_545
O43 K8 Ni12 170.95(8) . 1_545
O36 K8 K7 82.26(8) . .
O68 K8 K7 142.34(11) . .
O42 K8 K7 49.09(8) 2_766 .
O70 K8 K7 91.44(8) 1_545 .
O68 K8 K7 63.92(11) 2_766 .
O48 K8 K7 44.93(8) 2_666 .
O44 K8 K7 136.83(8) . .
O35 K8 K7 42.44(7) . .
O43 K8 K7 118.59(8) . .
Ni12 K8 K7 56.89(3) 1_545 .
O36 K8 K8 103.06(9) . 2_766
O68 K8 K8 41.81(10) . 2_766
O42 K8 K8 85.06(8) 2_766 2_766
O70 K8 K8 121.01(9) 1_545 2_766
O68 K8 K8 40.34(11) 2_766 2_766
O48 K8 K8 142.67(9) 2_666 2_766
O44 K8 K8 100.90(9) . 2_766
O35 K8 K8 99.47(9) . 2_766
O43 K8 K8 53.63(7) . 2_766
Ni12 K8 K8 118.23(5) 1_545 2_766
K7 K8 K8 102.79(5) . 2_766
O1 C1 O2 122.9(6) . .
O1 C1 C2 119.7(5) . .
O2 C1 C2 117.4(5) . .
O1 C1 Ni9' 80.8(4) . 1_454
O2 C1 Ni9' 44.7(4) . 1_454
C2 C1 Ni9' 155.5(4) . 1_454
C1 C2 C3 114.2(4) . .
C1 C2 H2A 108.7 . .
C3 C2 H2A 108.7 . .
C1 C2 H2B 108.7 . .
C3 C2 H2B 108.7 . .
H2A C2 H2B 107.6 . .
O7 C3 C4 111.6(4) . .
O7 C3 C6 110.0(4) . .
C4 C3 C6 107.7(4) . .
O7 C3 C2 110.8(4) . .
C4 C3 C2 106.4(4) . .
C6 C3 C2 110.2(4) . .
C5 C4 C3 115.4(4) . .
C5 C4 H4A 108.4 . .
C3 C4 H4A 108.4 . .
C5 C4 H4B 108.4 . .
C3 C4 H4B 108.4 . .
H4A C4 H4B 107.5 . .
O5 C5 O6 123.0(5) . .
O5 C5 C4 117.2(5) . .
O6 C5 C4 119.8(5) . .
O5 C5 K2 87.1(3) . .
O6 C5 K2 55.1(3) . .
C4 C5 K2 129.6(3) . .
O4 C6 O3 125.0(5) . .
O4 C6 C3 116.9(5) . .
O3 C6 C3 118.0(5) . .
O9 C7 O8 123.5(5) . .
O9 C7 C8 119.4(5) . .
O8 C7 C8 117.1(5) . .
C7 C8 C9 114.2(4) . .
C7 C8 H8A 108.7 . .
C9 C8 H8A 108.7 . .
C7 C8 H8B 108.7 . .
C9 C8 H8B 108.7 . .
H8A C8 H8B 107.6 . .
O12 C9 C10 112.3(4) . .
O12 C9 C8 110.0(4) . .
C10 C9 C8 105.1(4) . .
O12 C9 C12 109.7(4) . .
C10 C9 C12 108.9(4) . .
C8 C9 C12 110.6(4) . .
C11 C10 C9 114.7(4) . .
C11 C10 H10A 108.6 . .
C9 C10 H10A 108.6 . .
C11 C10 H10B 108.6 . .
C9 C10 H10B 108.6 . .
H10A C10 H10B 107.6 . .
O13 C11 O14 123.2(5) . .
O13 C11 C10 119.1(5) . .
O14 C11 C10 117.8(4) . .
O13 C11 K1 48.2(2) . 1_455
O14 C11 K1 122.8(3) . 1_455
C10 C11 K1 98.3(3) . 1_455
O10 C12 O11 124.7(5) . .
O10 C12 C9 117.8(5) . .
O11 C12 C9 117.5(4) . .
O10 C12 K3 78.0(3) . .
O11 C12 K3 68.2(3) . .
C9 C12 K3 128.3(3) . .
O15 C13 O16 120.7(5) . .
O15 C13 C14 120.1(5) . .
O16 C13 C14 119.2(5) . .
C13 C14 C15 111.9(4) . .
C13 C14 H14A 109.2 . .
C15 C14 H14A 109.2 . .
C13 C14 H14B 109.2 . .
C15 C14 H14B 109.2 . .
H14A C14 H14B 107.9 . .
O17 C15 C17 110.7(4) . .
O17 C15 C14 109.9(4) . .
C17 C15 C14 107.5(4) . .
O17 C15 C16 109.4(4) . .
C17 C15 C16 111.8(4) . .
C14 C15 C16 107.4(4) . .
O19 C16 O18 124.2(5) . .
O19 C16 C15 118.1(5) . .
O18 C16 C15 117.7(5) . .
O19 C16 K2 71.8(3) . 2_665
O18 C16 K2 52.4(3) . 2_665
C15 C16 K2 170.0(3) . 2_665
C18 C17 C15 115.5(4) . .
C18 C17 H17A 108.4 . .
C15 C17 H17A 108.4 . .
C18 C17 H17B 108.4 . .
C15 C17 H17B 108.4 . .
H17A C17 H17B 107.5 . .
O21 C18 O20 123.5(5) . .
O21 C18 C17 120.0(5) . .
O20 C18 C17 116.4(5) . .
O22 C19 O23 124.0(5) . .
O22 C19 C20 118.6(5) . .
O23 C19 C20 117.4(5) . .
O22 C19 K1 141.9(3) . 2_675
O23 C19 K1 41.8(3) . 2_675
C20 C19 K1 86.8(3) . 2_675
C19 C20 C21 114.9(4) . .
C19 C20 H20A 108.5 . .
C21 C20 H20A 108.5 . .
C19 C20 H20B 108.5 . .
C21 C20 H20B 108.5 . .
H20A C20 H20B 107.5 . .
O24 C21 C20 111.9(4) . .
O24 C21 C22 111.5(4) . .
C20 C21 C22 106.1(4) . .
O24 C21 C24 109.8(4) . .
C20 C21 C24 107.0(4) . .
C22 C21 C24 110.4(4) . .
C23 C22 C21 113.7(5) . .
C23 C22 H22A 108.8 . .
C21 C22 H22A 108.8 . .
C23 C22 H22B 108.8 . .
C21 C22 H22B 108.8 . .
H22A C22 H22B 107.7 . .
O27 C23 O28 122.5(5) . .
O27 C23 C22 120.5(5) . .
O28 C23 C22 117.0(5) . .
O27 C23 Ni9' 76.8(4) . 1_454
O28 C23 Ni9' 47.2(4) . 1_454
C22 C23 Ni9' 159.3(5) . 1_454
O26 C24 O25 123.5(5) . .
O26 C24 C21 118.8(5) . .
O25 C24 C21 117.7(5) . .
O26 C24 K6 83.6(3) . 2_665
O25 C24 K6 59.4(3) . 2_665
C21 C24 K6 132.4(3) . 2_665
O30 C25 O31 120.0(5) . .
O30 C25 C26 119.0(5) . .
O31 C25 C26 121.1(5) . .
O30 C25 Ni6 52.3(3) . .
O31 C25 Ni6 68.5(3) . .
C26 C25 Ni6 166.2(4) . .
C25 C26 C27 111.4(4) . .
C25 C26 H26A 109.3 . .
C27 C26 H26A 109.3 . .
C25 C26 H26B 109.3 . .
C27 C26 H26B 109.3 . .
H26A C26 H26B 108.0 . .
O32 C27 C28 112.0(4) . .
O32 C27 C26 110.5(4) . .
C28 C27 C26 106.0(4) . .
O32 C27 C30 109.8(4) . .
C28 C27 C30 108.2(4) . .
C26 C27 C30 110.2(4) . .
C29 C28 C27 115.8(4) . .
C29 C28 H28A 108.3 . .
C27 C28 H28A 108.3 . .
C29 C28 H28B 108.3 . .
C27 C28 H28B 108.3 . .
H28A C28 H28B 107.4 . .
O35 C29 O36 121.5(5) . .
O35 C29 C28 119.9(5) . .
O36 C29 C28 118.6(5) . .
O33 C30 O34 124.7(5) . .
O33 C30 C27 118.1(5) . .
O34 C30 C27 117.2(5) . .
O38 C31 O37 121.7(5) . .
O38 C31 C32 119.6(5) . .
O37 C31 C32 118.7(5) . .
O38 C31 K4 77.8(3) . 1_655
O37 C31 K4 52.9(3) . 1_655
C32 C31 K4 148.4(3) . 1_655
C31 C32 C33 111.5(4) . .
C31 C32 H32A 109.3 . .
C33 C32 H32A 109.3 . .
C31 C32 H32B 109.3 . .
C33 C32 H32B 109.3 . .
H32A C32 H32B 108.0 . .
O39 C33 C35 111.1(4) . .
O39 C33 C32 109.9(4) . .
C35 C33 C32 106.8(4) . .
O39 C33 C34 108.5(4) . .
C35 C33 C34 111.3(4) . .
C32 C33 C34 109.3(4) . .
O43 C34 O42 122.1(5) . .
O43 C34 C33 118.6(5) . .
O42 C34 C33 119.3(5) . .
C36 C35 C33 112.5(5) . .
C36 C35 H35A 109.1 . .
C33 C35 H35A 109.1 . .
C36 C35 H35B 109.1 . .
C33 C35 H35B 109.1 . .
H35A C35 H35B 107.8 . .
O40 C36 O41 120.9(5) . .
O40 C36 C35 121.3(5) . .
O41 C36 C35 117.6(5) . .
O40 C36 Ni9 68.3(3) . .
O41 C36 Ni9 53.0(3) . .
C35 C36 Ni9 165.8(4) . .
O44 C37 O45 120.6(5) . .
O44 C37 C38 120.9(5) . .
O45 C37 C38 118.5(5) . .
O44 C37 Ni9 70.9(3) . .
O45 C37 Ni9 51.1(3) . .
C38 C37 Ni9 163.9(4) . .
C37 C38 C39 113.9(4) . .
C37 C38 H38A 108.8 . .
C39 C38 H38A 108.8 . .
C37 C38 H38B 108.8 . .
C39 C38 H38B 108.8 . .
H38A C38 H38B 107.7 . .
O46 C39 C41 112.7(4) . .
O46 C39 C38 110.6(4) . .
C41 C39 C38 103.2(4) . .
O46 C39 C40 108.5(4) . .
C41 C39 C40 109.8(4) . .
C38 C39 C40 112.0(4) . .
O50 C40 O49 124.2(5) . .
O50 C40 C39 118.5(5) . .
O49 C40 C39 117.3(4) . .
C42 C41 C39 114.7(4) . .
C42 C41 H41A 108.6 . .
C39 C41 H41A 108.6 . .
C42 C41 H41B 108.6 . .
C39 C41 H41B 108.6 . .
H41A C41 H41B 107.6 . .
O48 C42 O47 123.2(5) . .
O48 C42 C41 118.4(5) . .
O47 C42 C41 118.4(5) . .
O48 C42 K7 49.0(3) . 2_666
O47 C42 K7 123.9(3) . 2_666
C41 C42 K7 97.0(3) . 2_666
O51 C43 O52 124.3(5) . .
O51 C43 C44 118.0(5) . .
O52 C43 C44 117.8(5) . .
C43 C44 C45 115.7(4) . .
C43 C44 H44A 108.3 . .
C45 C44 H44A 108.3 . .
C43 C44 H44B 108.3 . .
C45 C44 H44B 108.3 . .
H44A C44 H44B 107.4 . .
O53 C45 C44 111.1(4) . .
O53 C45 C47 111.0(4) . .
C44 C45 C47 104.5(4) . .
O53 C45 C46 110.3(4) . .
C44 C45 C46 109.0(4) . .
C47 C45 C46 110.8(4) . .
O55 C46 O54 123.9(5) . .
O55 C46 C45 118.9(5) . .
O54 C46 C45 117.2(5) . .
C48 C47 C45 111.6(4) . .
C48 C47 H47A 109.3 . .
C45 C47 H47A 109.3 . .
C48 C47 H47B 109.3 . .
C45 C47 H47B 109.3 . .
H47A C47 H47B 108.0 . .
O57 C48 O56 119.9(5) . .
O57 C48 C47 119.1(5) . .
O56 C48 C47 120.9(5) . .
O57 C48 Ni6 54.1(3) . .
O56 C48 Ni6 67.2(3) . .
C47 C48 Ni6 163.0(4) . .
C1 O1 Ni1 121.9(4) . .
C1 O1 K6 125.0(3) . 2_665
Ni1 O1 K6 104.98(15) . 2_665
C1 O2 Ni9' 103.1(6) . 1_454
C1 O2 Ni9 120.8(4) . 1_454
C6 O3 Ni4 115.8(3) . .
C6 O4 K4 134.2(3) . 2_565
C5 O5 K1 151.4(4) . 2_665
C5 O5 K4 125.1(4) . 2_565
K1 O5 K4 82.59(12) 2_665 2_565
C5 O6 Ni2 119.3(4) . .
C5 O6 K2 104.0(3) . .
Ni2 O6 K2 97.52(14) . .
C3 O7 Ni1 127.9(3) . .
C3 O7 Ni2 117.7(3) . .
Ni1 O7 Ni2 102.76(16) . .
C3 O7 Ni4 112.5(3) . .
Ni1 O7 Ni4 89.88(14) . .
Ni2 O7 Ni4 99.63(15) . .
C7 O8 Ni6 123.3(3) . .
C7 O8 K3 114.8(3) . .
Ni6 O8 K3 92.26(13) . .
C7 O9 Ni2 120.1(3) . .
C7 O9 K2 119.9(3) . .
Ni2 O9 K2 94.73(13) . .
C12 O10 K4 155.2(4) . .
C12 O10 K1 127.1(3) . 1_455
K4 O10 K1 74.70(10) . 1_455
C12 O10 K3 78.0(3) . .
K4 O10 K3 89.45(12) . .
K1 O10 K3 144.09(14) 1_455 .
C12 O11 Ni3 117.7(3) . .
C12 O11 K3 86.7(3) . .
Ni3 O11 K3 112.02(15) . .
C9 O12 Ni2 128.2(3) . .
C9 O12 Ni4 117.8(3) . .
Ni2 O12 Ni4 102.75(15) . .
C9 O12 Ni3 112.4(3) . .
Ni2 O12 Ni3 90.64(14) . .
Ni4 O12 Ni3 98.21(15) . .
C11 O13 Ni5 124.7(3) . 2_575
C11 O13 K1 111.4(3) . 1_455
Ni5 O13 K1 92.35(13) 2_575 1_455
C11 O13 K2 136.9(3) . 2_565
Ni5 O13 K2 90.09(12) 2_575 2_565
K1 O13 K2 88.93(11) 1_455 2_565
C11 O14 Ni4 120.5(3) . .
C13 O15 Ni5 121.1(3) . 2_675
C13 O16 Ni1 119.0(3) . .
C15 O17 Ni3 128.1(3) . .
C15 O17 Ni2 112.9(3) . .
Ni3 O17 Ni2 91.67(14) . .
C15 O17 Ni1 117.6(3) . .
Ni3 O17 Ni1 100.09(15) . .
Ni2 O17 Ni1 100.80(15) . .
C16 O18 Ni5 132.8(3) . 2_675
C16 O18 K2 107.1(3) . 2_665
Ni5 O18 K2 94.81(13) 2_675 2_665
C16 O18 K1 133.5(3) . .
Ni5 O18 K1 86.58(12) 2_675 .
K2 O18 K1 89.37(11) 2_665 .
C16 O19 Ni2 116.1(3) . .
C16 O19 K2 135.2(3) . .
Ni2 O19 K2 85.79(12) . .
C16 O19 K2 86.9(3) . 2_665
Ni2 O19 K2 156.35(17) . 2_665
K2 O19 K2 73.02(9) . 2_665
C18 O20 Ni6 121.8(3) . .
C18 O21 Ni3 122.8(3) . .
C18 O21 K3 135.1(3) . .
Ni3 O21 K3 101.75(13) . .
C19 O22 Ni3 120.8(3) . .
C19 O23 Ni5 148.3(4) . .
C19 O23 K1 120.2(3) . 2_675
Ni5 O23 K1 91.55(13) . 2_675
C21 O24 Ni4 128.8(3) . .
C21 O24 Ni3 119.1(3) . .
Ni4 O24 Ni3 100.45(15) . .
C21 O24 Ni1 112.2(3) . .
Ni4 O24 Ni1 89.64(14) . .
Ni3 O24 Ni1 99.57(15) . .
C24 O25 Ni1 114.8(3) . .
C24 O25 K6 98.6(3) . 2_665
Ni1 O25 K6 101.22(14) . 2_665
C24 O26 K1 130.0(4) . 2_675
C23 O27 Ni4 122.8(3) . .
C23 O27 Ni9' 71.7(3) . 1_454
Ni4 O27 Ni9' 142.8(3) . 1_454
C23 O28 Ni9' 99.0(7) . 1_454
C23 O28 Ni9 120.8(4) . 1_454
K2 O29 K2 84.42(14) . 2_665
K2 O29 K1 159.15(17) . .
K2 O29 K1 79.06(11) 2_665 .
K2 O29 H29A 114.6 . .
K2 O29 H29A 114.6 2_665 .
K1 O29 H29A 84.1 . .
K2 O29 H29B 114.6 . .
K2 O29 H29B 114.6 2_665 .
K1 O29 H29B 62.5 . .
H29A O29 H29B 111.7 . .
C25 O30 Ni6 97.3(3) . .
C25 O31 Ni7 118.7(3) . .
C25 O31 Ni6 81.2(3) . .
Ni7 O31 Ni6 141.07(17) . .
C27 O32 Ni7 128.6(3) . .
C27 O32 Ni8 117.1(3) . .
Ni7 O32 Ni8 104.11(15) . .
C27 O32 Ni10 113.2(3) . .
Ni7 O32 Ni10 87.15(13) . .
Ni8 O32 Ni10 99.23(14) . .
C30 O34 Ni10 118.1(3) . .
C29 O35 K7 152.6(4) . .
C29 O35 K8 74.7(3) . .
K7 O35 K8 78.95(12) . .
C29 O36 Ni8 120.4(3) . .
C29 O36 K8 99.4(3) . .
Ni8 O36 K8 102.90(15) . .
C31 O37 Ni12 122.0(3) . 2_776
C31 O37 K4 105.7(3) . 1_655
Ni12 O37 K4 132.30(17) 2_776 1_655
C31 O38 Ni7 118.1(3) . .
C31 O38 K4 80.4(3) . 1_655
Ni7 O38 K4 152.30(17) . 1_655
C33 O39 Ni11 127.8(3) . .
C33 O39 Ni8 114.4(3) . .
Ni11 O39 Ni8 88.90(14) . .
C33 O39 Ni7 116.5(3) . .
Ni11 O39 Ni7 102.87(15) . .
Ni8 O39 Ni7 100.33(15) . .
C36 O40 Ni11 119.4(3) . .
C36 O40 Ni9 81.4(3) . .
Ni11 O40 Ni9 142.78(18) . .
C36 O41 Ni9 96.1(4) . .
C36 O41 K6 126.2(4) . 2_766
Ni9 O41 K6 108.55(19) . 2_766
C34 O42 Ni12 130.5(3) . 2_776
C34 O42 K8 116.0(3) . 2_766
Ni12 O42 K8 92.77(13) 2_776 2_766
C34 O42 K7 131.8(3) . 2_766
Ni12 O42 K7 88.67(12) 2_776 2_766
K8 O42 K7 83.03(10) 2_766 2_766
C34 O43 Ni8 117.7(3) . .
C34 O43 K8 145.1(3) . .
Ni8 O43 K8 84.65(12) . .
C37 O44 Ni8 119.6(3) . .
C37 O44 K8 116.1(3) . .
Ni8 O44 K8 91.50(12) . .
C37 O45 Ni9 98.8(3) . .
C37 O45 Ni9' 117.2(5) . .
C39 O46 Ni8 129.2(3) . .
C39 O46 Ni10 116.8(3) . .
Ni8 O46 Ni10 103.33(16) . .
C39 O46 Ni11 112.8(3) . .
Ni8 O46 Ni11 87.81(13) . .
Ni10 O46 Ni11 99.89(15) . .
C42 O47 Ni10 118.8(3) . .
C42 O48 Ni12 126.5(3) . 2_676
C42 O48 K7 110.5(3) . 2_666
Ni12 O48 K7 95.41(13) 2_676 2_666
C42 O48 K8 133.3(3) . 2_666
Ni12 O48 K8 92.88(13) 2_676 2_666
K7 O48 K8 86.19(11) 2_666 2_666
C40 O49 Ni11 119.6(3) . .
C40 O50 K7 141.6(3) . 2_666
C40 O50 K5 129.4(3) . 2_666
K7 O50 K5 87.23(11) 2_666 2_666
C43 O51 Ni11 121.5(3) . .
C43 O52 Ni12 144.3(3) . .
C43 O52 K7 121.5(3) . 1_565
Ni12 O52 K7 92.76(13) . 1_565
C45 O53 Ni10 129.0(3) . .
C45 O53 Ni11 118.6(3) . .
Ni10 O53 Ni11 102.13(15) . .
C45 O53 Ni7 112.2(3) . .
Ni10 O53 Ni7 86.73(14) . .
Ni11 O53 Ni7 100.75(15) . .
C46 O54 Ni7 117.3(3) . .
C46 O55 K7 133.3(3) . 1_565
C46 O55 K5 132.1(3) . 1_565
K7 O55 K5 88.14(11) 1_565 1_565
C46 O55 K6 113.4(3) . 1_565
K7 O55 K6 85.65(11) 1_565 1_565
K5 O55 K6 88.47(11) 1_565 1_565
C48 O56 Ni10 120.7(3) . .
C48 O56 Ni6 82.3(3) . .
Ni10 O56 Ni6 139.39(17) . .
C48 O57 Ni6 95.5(3) . .
C48 O57 K3 122.2(3) . .
Ni6 O57 K3 101.15(14) . .
C48 O57 K5 116.3(3) . 1_565
Ni6 O57 K5 139.84(16) . 1_565
K3 O57 K5 82.80(10) . 1_565
Ni5 O58 H58B 109.4 . .
Ni5 O58 H58C 109.4 . .
H58B O58 H58C 109.5 . .
Ni5 O59 K2 95.44(14) . 1_565
Ni5 O59 H59A 112.7 . .
K2 O59 H59A 112.7 1_565 .
Ni5 O59 H59B 112.7 . .
K2 O59 H59B 112.7 1_565 .
H59A O59 H59B 110.1 . .
K4 O60 K3 82.27(12) . .
K4 O60 H60B 109.7 . .
K3 O60 H60B 44.1 . .
K4 O60 H60C 109.6 . .
K3 O60 H60C 151.9 . .
H60B O60 H60C 108.2 . .
K3 O61 K5 84.88(12) . 1_565
K3 O61 H61A 114.5 . .
K5 O61 H61A 114.5 1_565 .
K3 O61 H61B 114.5 . .
K5 O61 H61B 114.5 1_565 .
H61A O61 H61B 111.6 . .
K4 O62 K3 89.69(14) . .
K5 O63 H63B 109.7 . .
K5 O63 H63C 109.7 . .
H63B O63 H63C 108.2 . .
K3 O64 K5 98.55(17) 1_545 .
K3 O64 H64C 112.1 1_545 .
K5 O64 H64C 112.1 . .
K3 O64 H64D 112.0 1_545 .
K5 O64 H64D 112.0 . .
H64C O64 H64D 109.7 . .
K6 O65 K5 93.80(16) . .
K6 O65 H65C 112.9 . .
K5 O65 H65C 113.0 . .
K6 O65 H65D 113.0 . .
K5 O65 H65D 113.0 . .
H65C O65 H65D 110.4 . .
K6 O66 H66B 109.5 . .
K6 O66 H66C 109.1 . .
H66B O66 H66C 109.5 . .
K6 O67 K5 94.19(13) . .
K6 O67 K7 84.47(12) . .
K5 O67 K7 86.49(12) . .
K6 O67 H67A 112.8 . .
K5 O67 H67A 112.8 . .
K7 O67 H67A 41.3 . .
K6 O67 H67B 113.0 . .
K5 O67 H67B 113.0 . .
K7 O67 H67B 151.7 . .
H67A O67 H67B 110.4 . .
K8 O68 K8 97.85(16) . 2_766
K8 O68 H68A 109.7 . .
K8 O68 H68A 62.4 2_766 .
K8 O68 H68B 109.4 . .
K8 O68 H68B 152.5 2_766 .
H68A O68 H68B 109.8 . .
Ni12 O69 H69A 109.6 . .
Ni12 O69 H69B 109.3 . .
H69A O69 H69B 109.8 . .
Ni12 O70 K8 92.93(13) . 1_565
Ni12 O70 H70A 113.1 . .
K8 O70 H70A 113.1 1_565 .
Ni12 O70 H70B 113.1 . .
K8 O70 H70B 113.1 1_565 .
H70A O70 H70B 110.5 . .
K1 O71 K4 79.21(12) . 1_655
H2SA O2S H2SB 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O16 2.006(4) .
Ni1 O25 2.023(4) .
Ni1 O7 2.030(4) .
Ni1 O24 2.090(4) .
Ni1 O17 2.095(4) .
Ni1 O1 2.099(4) .
Ni1 Ni4 2.9161(9) .
Ni1 K6 3.8793(15) 2_665
Ni2 O6 1.997(4) .
Ni2 O12 2.041(4) .
Ni2 O19 2.065(4) .
Ni2 O17 2.086(4) .
Ni2 O7 2.093(4) .
Ni2 O9 2.120(4) .
Ni2 K2 3.7315(15) .
Ni3 O11 2.033(4) .
Ni3 O22 2.033(4) .
Ni3 O17 2.052(4) .
Ni3 O24 2.074(4) .
Ni3 O21 2.080(4) .
Ni3 O12 2.133(4) .
Ni4 O14 2.000(4) .
Ni4 O24 2.047(4) .
Ni4 O3 2.051(4) .
Ni4 O12 2.057(4) .
Ni4 O7 2.098(4) .
Ni4 O27 2.104(4) .
Ni5 O15 2.018(4) 2_675
Ni5 O58 2.031(4) .
Ni5 O13 2.077(4) 2_575
Ni5 O23 2.078(4) .
Ni5 O59 2.086(4) .
Ni5 O18 2.114(4) 2_675
Ni5 K1 3.4644(14) 2_675
Ni5 K2 3.7015(15) 1_565
Ni6 O20 1.982(4) .
Ni6 O8 1.985(4) .
Ni6 O30 1.986(4) .
Ni6 O57 2.032(4) .
Ni6 O56 2.323(4) .
Ni6 O31 2.344(4) .
Ni6 C25 2.490(5) .
Ni6 C48 2.497(5) .
Ni6 K3 3.7205(15) .
Ni7 O54 2.000(4) .
Ni7 O38 2.010(4) .
Ni7 O32 2.031(4) .
Ni7 O53 2.120(4) .
Ni7 O39 2.124(4) .
Ni7 O31 2.184(4) .
Ni7 Ni10 2.8606(9) .
Ni8 O36 1.985(4) .
Ni8 O46 2.023(4) .
Ni8 O43 2.044(4) .
Ni8 O32 2.086(4) .
Ni8 O39 2.105(4) .
Ni8 O44 2.176(4) .
Ni8 Ni11 2.9040(9) .
Ni11 O49 2.001(4) .
Ni11 O51 2.017(4) .
Ni11 O39 2.042(4) .
Ni11 O53 2.110(4) .
Ni11 O46 2.162(4) .
Ni11 O40 2.195(4) .
Ni10 O47 2.019(4) .
Ni10 O34 2.031(4) .
Ni10 O53 2.046(4) .
Ni10 O46 2.060(4) .
Ni10 O32 2.118(4) .
Ni10 O56 2.183(4) .
Ni9 O45 1.978(4) .
Ni9 O41 1.979(5) .
Ni9 O2 2.007(5) 1_656
Ni9 O28 2.016(4) 1_656
Ni9 O40 2.316(4) .
Ni9 C36 2.465(6) .
Ni9 C37 2.512(6) .
Ni9 K6 3.8272(17) 2_766
Ni9' O2 1.687(8) 1_656
Ni9' O28 1.691(8) 1_656
Ni9' O45 2.197(10) .
Ni9' C23 2.275(14) 1_656
Ni9' O27 2.333(16) 1_656
Ni9' C1 2.335(12) 1_656
Ni9' K6 3.721(6) 2_766
Ni12 O37 2.025(4) 2_776
Ni12 O69 2.021(4) .
Ni12 O48 2.064(4) 2_676
Ni12 O52 2.066(4) .
Ni12 O70 2.093(4) .
Ni12 O42 2.109(4) 2_776
Ni12 K7 3.5544(14) 1_565
Ni12 K8 3.6316(15) 1_565
K1 O5 2.622(4) 2_665
K1 O13 2.688(4) 1_655
K1 O26 2.709(4) 2_675
K1 O23 2.716(4) 2_675
K1 O71 2.728(4) .
K1 O18 2.873(4) .
K1 O10 2.942(4) 1_655
K1 C11 3.359(5) 1_655
K1 O29 3.366(5) .
K1 Ni5 3.4644(14) 2_675
K1 K4 3.5028(18) 1_655
K1 C19 3.526(5) 2_675
K2 O29 2.845(5) .
K2 O18 2.866(4) 2_665
K2 O59 2.867(4) 1_545
K2 O9 2.901(4) .
K2 O6 2.902(4) .
K2 O29 2.956(5) 2_665
K2 O13 3.061(4) 2_565
K2 O19 3.263(4) .
K2 O19 3.288(4) 2_665
K2 C5 3.435(5) .
K2 C16 3.456(5) 2_665
K2 Ni5 3.7015(15) 1_545
K3 O64 2.639(5) 1_565
K3 O57 2.748(4) .
K3 O11 2.779(4) .
K3 O61 2.895(5) .
K3 O62 2.985(5) .
K3 C12 2.988(5) .
K3 O10 2.989(4) .
K3 O21 3.032(4) .
K3 O8 3.069(4) .
K3 O60 3.427(5) .
K3 K5 4.0521(18) 1_565
K3 H60B 2.8780 .
K4 O5 2.685(4) 2_565
K4 O60 2.750(4) .
K4 O71 2.766(5) 1_455
K4 O37 2.774(4) 1_455
K4 O62 2.821(5) .
K4 O10 2.829(4) .
K4 O4 3.128(4) 2_565
K4 O38 3.320(4) 1_455
K4 C31 3.349(6) 1_455
K4 K1 3.5028(18) 1_455
K5 O64 2.708(5) .
K5 O67 2.803(4) .
K5 O50 2.820(4) 2_666
K5 O65 2.873(5) .
K5 O55 2.932(4) 1_545
K5 O63 2.953(4) .
K5 O61 3.105(5) 1_545
K5 O57 3.342(4) 1_545
K5 K7 3.8647(17) .
K5 K3 4.0521(18) 1_545
K5 K6 4.0925(18) .
K6 O66 2.577(5) .
K6 O41 2.706(4) 2_766
K6 O65 2.730(5) .
K6 O1 2.765(4) 2_665
K6 O67 2.785(4) .
K6 O55 2.934(4) 1_545
K6 O25 2.939(4) 2_665
K6 C24 3.376(5) 2_665
K6 Ni9' 3.721(6) 2_766
K6 K7 3.7794(18) .
K6 Ni9 3.8273(17) 2_766
K6 Ni1 3.8794(15) 2_665
K6 H66B 3.0350 .
K6 H66C 3.0296 .
K7 O55 2.615(4) 1_545
K7 O35 2.628(4) .
K7 O48 2.706(4) 2_666
K7 O50 2.783(4) 2_666
K7 O52 2.795(4) 1_545
K7 O67 2.838(4) .
K7 O42 2.911(4) 2_766
K7 C42 3.361(5) 2_666
K7 Ni12 3.5544(14) 1_545
K7 K8 3.8227(19) .
K7 H67A 2.2704 .
K8 O36 2.766(4) .
K8 O68 2.786(5) .
K8 O42 2.857(4) 2_766
K8 O70 2.863(4) 1_545
K8 O68 2.869(5) 2_766
K8 O48 2.886(4) 2_666
K8 O44 2.994(4) .
K8 O35 3.325(5) .
K8 O43 3.337(4) .
K8 Ni12 3.6316(15) 1_545
K8 K8 4.264(3) 2_766
C1 O1 1.256(7) .
C1 O2 1.275(7) .
C1 C2 1.496(8) .
C1 Ni9' 2.335(12) 1_454
C2 C3 1.549(7) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 O7 1.404(6) .
C3 C4 1.540(7) .
C3 C6 1.549(7) .
C4 C5 1.521(8) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 O5 1.256(7) .
C5 O6 1.266(7) .
C6 O4 1.255(7) .
C6 O3 1.259(7) .
C7 O9 1.248(6) .
C7 O8 1.279(6) .
C7 C8 1.517(7) .
C8 C9 1.553(7) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 O12 1.417(6) .
C9 C10 1.545(7) .
C9 C12 1.558(7) .
C10 C11 1.513(7) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 O13 1.259(6) .
C11 O14 1.269(6) .
C11 K1 3.359(5) 1_455
C12 O10 1.243(6) .
C12 O11 1.269(6) .
C13 O15 1.256(7) .
C13 O16 1.273(6) .
C13 C14 1.499(7) .
C14 C15 1.543(7) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 O17 1.418(6) .
C15 C17 1.538(7) .
C15 C16 1.561(7) .
C16 O19 1.258(7) .
C16 O18 1.264(6) .
C16 K2 3.456(5) 2_665
C17 C18 1.510(7) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 O21 1.251(6) .
C18 O20 1.282(6) .
C19 O22 1.263(7) .
C19 O23 1.265(6) .
C19 C20 1.517(7) .
C19 K1 3.526(5) 2_675
C20 C21 1.538(7) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 O24 1.412(6) .
C21 C22 1.542(7) .
C21 C24 1.558(7) .
C22 C23 1.509(8) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 O27 1.253(7) .
C23 O28 1.280(7) .
C23 Ni9' 2.275(14) 1_454
C24 O26 1.239(7) .
C24 O25 1.277(7) .
C24 K6 3.376(5) 2_665
C25 O30 1.272(7) .
C25 O31 1.275(7) .
C25 C26 1.489(7) .
C26 C27 1.538(7) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 O32 1.416(6) .
C27 C28 1.537(7) .
C27 C30 1.555(7) .
C28 C29 1.511(7) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 O35 1.243(7) .
C29 O36 1.276(7) .
C30 O33 1.234(7) .
C30 O34 1.274(7) .
C31 O38 1.257(7) .
C31 O37 1.271(7) .
C31 C32 1.487(8) .
C31 K4 3.349(6) 1_655
C32 C33 1.542(7) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 O39 1.419(6) .
C33 C35 1.528(7) .
C33 C34 1.544(8) .
C34 O43 1.260(7) .
C34 O42 1.271(6) .
C35 C36 1.491(8) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 O40 1.258(7) .
C36 O41 1.274(7) .
C37 O44 1.260(7) .
C37 O45 1.275(7) .
C37 C38 1.497(7) .
C38 C39 1.543(7) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 O46 1.417(6) .
C39 C41 1.536(7) .
C39 C40 1.557(7) .
C40 O50 1.241(6) .
C40 O49 1.281(7) .
C41 C42 1.512(7) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 O48 1.261(6) .
C42 O47 1.263(6) .
C42 K7 3.361(5) 2_666
C43 O51 1.258(6) .
C43 O52 1.259(6) .
C43 C44 1.513(7) .
C44 C45 1.544(7) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 O53 1.410(6) .
C45 C47 1.546(7) .
C45 C46 1.553(7) .
C46 O55 1.239(6) .
C46 O54 1.275(6) .
C47 C48 1.499(7) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 O57 1.271(6) .
C48 O56 1.276(6) .
O1 K6 2.765(4) 2_665
O2 Ni9' 1.687(8) 1_454
O2 Ni9 2.007(5) 1_454
O4 K4 3.128(4) 2_565
O5 K1 2.622(4) 2_665
O5 K4 2.685(4) 2_565
O10 K1 2.943(4) 1_455
O13 Ni5 2.077(4) 2_575
O13 K1 2.689(4) 1_455
O13 K2 3.061(4) 2_565
O15 Ni5 2.018(4) 2_675
O18 Ni5 2.114(4) 2_675
O18 K2 2.866(4) 2_665
O19 K2 3.288(4) 2_665
O23 K1 2.716(4) 2_675
O25 K6 2.939(4) 2_665
O26 K1 2.709(4) 2_675
O27 Ni9' 2.332(16) 1_454
O28 Ni9' 1.691(8) 1_454
O28 Ni9 2.016(4) 1_454
O29 K2 2.956(5) 2_665
O29 H29A 0.9900 .
O29 H29B 0.9900 .
O37 Ni12 2.025(4) 2_776
O37 K4 2.774(4) 1_655
O38 K4 3.320(4) 1_655
O41 K6 2.706(4) 2_766
O42 Ni12 2.109(4) 2_776
O42 K8 2.857(4) 2_766
O42 K7 2.911(4) 2_766
O48 Ni12 2.064(4) 2_676
O48 K7 2.706(4) 2_666
O48 K8 2.886(4) 2_666
O50 K7 2.783(4) 2_666
O50 K5 2.820(4) 2_666
O52 K7 2.795(4) 1_565
O55 K7 2.615(4) 1_565
O55 K5 2.932(4) 1_565
O55 K6 2.934(4) 1_565
O57 K5 3.342(4) 1_565
O58 H58B 0.9600 .
O58 H58C 0.9597 .
O59 K2 2.867(4) 1_565
O59 H59A 0.9900 .
O59 H59B 0.9900 .
O60 H60B 0.8501 .
O60 H60C 0.8500 .
O61 K5 3.105(5) 1_565
O61 H61A 0.9900 .
O61 H61B 0.9899 .
O63 H63B 0.8500 .
O63 H63C 0.8501 .
O64 K3 2.639(5) 1_545
O64 H64C 0.9900 .
O64 H64D 0.9900 .
O65 H65C 0.9899 .
O65 H65D 0.9900 .
O66 H66B 0.9599 .
O66 H66C 0.9600 .
O67 H67A 0.8500 .
O67 H67B 0.8500 .
O68 K8 2.869(5) 2_766
O68 H68A 0.8501 .
O68 H68B 0.8498 .
O69 H69A 0.8499 .
O69 H69B 0.8500 .
O70 K8 2.863(4) 1_565
O70 H70A 0.9900 .
O70 H70B 0.9901 .
O71 K4 2.766(5) 1_655
O2S H2SA 0.8500 .
O2S H2SB 0.8496 .
