# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1056702'
_audit_update_record             
;
2016-05-25 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H28 K4 Ni6 O36'
_chemical_formula_weight         1401.12

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'
K K 0.2009 0.2494 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   15.8990(9)
_cell_length_b                   18.8362(11)
_cell_length_c                   13.9557(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4179.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3679
_cell_measurement_theta_min      1.68
_cell_measurement_theta_max      24.99

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.227
_exptl_crystal_F_000             2816
_exptl_transmission_factor_min   0.4932
_exptl_transmission_factor_max   0.6313
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    3.166
_shelx_estimated_absorpt_T_min   0.493
_shelx_estimated_absorpt_T_max   0.631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.472
_exptl_absorpt_correction_T_max  0.603
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23331
_diffrn_reflns_av_unetI/netI     0.0161
_diffrn_reflns_av_R_equivalents  0.0142
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.676
_diffrn_reflns_theta_max         24.990
_diffrn_reflns_theta_full        24.990
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3679
_reflns_number_gt                3636
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.793
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0299P)²+3.8332P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.011(12)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         3679
_refine_ls_number_parameters     332
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0170
_refine_ls_R_factor_gt           0.0168
_refine_ls_wR_factor_ref         0.0471
_refine_ls_wR_factor_gt          0.0470
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.91218(3) 0.75118(2) 0.20858(3) 0.01469(11) Uani 1 1 d . . . . .
Ni2 Ni 1.0000 1.01906(3) 0.2500 0.01684(14) Uani 1 2 d S T P A .
Ni3 Ni 0.5000 0.86193(3) 0.2500 0.01890(14) Uani 1 2 d S T P . .
Ni4 Ni 0.53773(3) 0.87343(2) -0.15195(3) 0.01385(10) Uani 1 1 d . . . . .
K1 K 0.71970(5) 0.88103(4) 0.22412(7) 0.0316(2) Uani 1 1 d . . . . .
K2 K 0.62358(8) 1.0000 0.0000 0.0318(3) Uani 1 2 d S T P . .
K3 K 1.0074(4) 1.0000 0.5000 0.0637(11) Uani 0.546(5) 2 d S T P A 1
K3' K 1.0635(5) 1.0391(4) 0.5073(4) 0.080(3) Uani 0.227(2) 1 d . . P A 2
O1 O 0.90749(16) 0.86137(12) 0.23687(18) 0.0215(5) Uani 1 1 d . . . . .
O2 O 0.9460(2) 0.94620(14) 0.3391(2) 0.0327(7) Uani 1 1 d . . . . .
O3 O 0.96184(14) 0.73615(11) 0.34176(16) 0.0150(5) Uani 1 1 d . . . . .
O4 O 0.92079(16) 0.65466(14) 0.63106(18) 0.0238(6) Uani 1 1 d . . . . .
O5 O 0.97899(15) 0.62693(13) 0.49201(17) 0.0220(5) Uani 1 1 d . . . . .
O6 O 1.0312(2) 0.8310(2) 0.5479(3) 0.0552(10) Uani 1 1 d . . . . .
O7 O 1.09917(16) 0.77914(15) 0.43060(18) 0.0253(6) Uani 1 1 d . . . . .
O8 O 0.66777(16) 0.68835(14) 0.2318(3) 0.0389(8) Uani 1 1 d . . . . .
O9 O 0.78713(14) 0.74825(13) 0.23540(19) 0.0226(5) Uani 1 1 d . . . . .
O10 O 0.92034(13) 0.64078(11) 0.20718(17) 0.0142(4) Uani 1 1 d . . . . .
O11 O 0.83629(15) 0.59759(13) 0.35914(18) 0.0209(5) Uani 1 1 d . . . . .
O12 O 0.75529(16) 0.52374(13) 0.2756(2) 0.0303(7) Uani 1 1 d . . . . .
O13 O 1.01681(14) 0.51769(12) 0.14970(18) 0.0181(5) Uani 1 1 d . . . . .
O14 O 0.92392(15) 0.43262(12) 0.18565(18) 0.0208(5) Uani 1 1 d . . . . .
O15 O 0.4201(3) 0.78810(18) 0.1852(2) 0.0516(10) Uani 1 1 d . . . . .
H15A H 0.4240 0.7404 0.2110 0.062 Uiso 1 1 d R U . . .
H15B H 0.4212 0.7882 0.1157 0.062 Uiso 1 1 d R U . . .
O16 O 0.7754(2) 0.8879(2) 0.0270(3) 0.0545(9) Uani 1 1 d . . . . .
H16A H 0.7796 0.8401 0.0015 0.065 Uiso 1 1 d R U . . .
H16B H 0.7340 0.9134 -0.0107 0.065 Uiso 1 1 d R U . . .
O17 O 0.9406(2) 1.09255(15) 0.3343(2) 0.0364(7) Uani 1 1 d . . . . .
H17A H 0.9676 1.1251 0.3761 0.044 Uiso 1 1 d R U . A .
H17B H 0.9039 1.1211 0.3097 0.044 Uiso 1 1 d R U . . .
O18A O 0.9002(3) 0.9989(3) 0.1611(4) 0.0245(8) Uani 0.546(5) 1 d . . P A 1
O18B O 0.8992(4) 1.0439(3) 0.1538(4) 0.0245(8) Uani 0.454(5) 1 d . . P A 2
C1 C 0.9178(2) 0.88573(18) 0.3206(3) 0.0200(7) Uani 1 1 d . . . . .
C2 C 0.8912(2) 0.84063(18) 0.4049(3) 0.0213(7) Uani 1 1 d . . . . .
H2A H 0.8340 0.8246 0.3938 0.026 Uiso 1 1 calc R U . . .
H2B H 0.8904 0.8704 0.4616 0.026 Uiso 1 1 calc R U . . .
C3 C 0.9463(2) 0.77507(18) 0.4260(2) 0.0175(7) Uani 1 1 d . . . . .
C4 C 0.8956(2) 0.73222(19) 0.5008(3) 0.0208(8) Uani 1 1 d . . . . .
H4A H 0.8812 0.7641 0.5529 0.025 Uiso 1 1 calc R U . . .
H4B H 0.8432 0.7177 0.4710 0.025 Uiso 1 1 calc R U . . .
C5 C 0.9361(2) 0.66650(18) 0.5441(2) 0.0169(7) Uani 1 1 d . . . . .
C6 C 1.0319(2) 0.7979(2) 0.4712(3) 0.0238(8) Uani 1 1 d . . . . .
C7 C 0.7425(2) 0.69724(18) 0.2062(3) 0.0212(7) Uani 1 1 d . . . . .
C8 C 0.7806(2) 0.64360(19) 0.1373(3) 0.0210(7) Uani 1 1 d . . . . .
H8A H 0.8049 0.6685 0.0831 0.025 Uiso 1 1 calc R U . . .
H8B H 0.7366 0.6126 0.1134 0.025 Uiso 1 1 calc R U . . .
C9 C 0.8491(2) 0.59845(18) 0.1865(3) 0.0159(7) Uani 1 1 d . . . . .
C10 C 0.8718(2) 0.53834(19) 0.1168(3) 0.0187(7) Uani 1 1 d . . . . .
H10A H 0.8227 0.5087 0.1068 0.022 Uiso 1 1 calc R U . . .
H10B H 0.8874 0.5587 0.0555 0.022 Uiso 1 1 calc R U . . .
C11 C 0.9431(2) 0.49297(17) 0.1532(2) 0.0166(7) Uani 1 1 d . . . . .
C12 C 0.8113(2) 0.56979(17) 0.2812(3) 0.0180(7) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 O7 2.021(3) 3_755 ?
Ni1 O9 2.024(2) . ?
Ni1 O3 2.039(2) . ?
Ni1 O10 2.084(2) . ?
Ni1 O1 2.114(2) . ?
Ni1 O3 2.141(2) 3_755 ?
Ni1 K1 3.9237(9) . ?
Ni2 O2 2.041(3) 3_755 ?
Ni2 O2 2.041(3) . ?
Ni2 O17 2.048(3) . ?
Ni2 O17 2.048(3) 3_755 ?
Ni2 O18A 2.050(5) . ?
Ni2 O18A 2.050(5) 3_755 ?
Ni2 O18B 2.143(6) 3_755 ?
Ni2 O18B 2.143(6) . ?
Ni2 K3 3.5093(3) . ?
Ni2 K3 3.5093(3) 2_774 ?
Ni2 K3' 3.700(5) 2_774 ?
Ni2 K3' 3.700(5) 4_576 ?
Ni3 O14 2.011(2) 7_655 ?
Ni3 O14 2.011(2) 5_455 ?
Ni3 O15 2.089(3) . ?
Ni3 O15 2.089(3) 3_655 ?
Ni3 O4 2.107(3) 6_664 ?
Ni3 O4 2.107(3) 8_466 ?
Ni3 K1 3.5300(9) 3_655 ?
Ni3 K1 3.5300(9) . ?
Ni4 O5 2.027(2) 6_664 ?
Ni4 O10 2.037(2) 8_465 ?
Ni4 O3 2.066(2) 6_664 ?
Ni4 O13 2.078(2) 8_465 ?
Ni4 O11 2.082(2) 6_664 ?
Ni4 O10 2.093(2) 6_664 ?
Ni4 Ni4 2.9881(8) 3_654 ?
Ni4 K2 3.4704(7) . ?
K1 O4 2.670(3) 6_664 ?
K1 O12 2.717(3) 7_655 ?
K1 O9 2.726(3) . ?
K1 O14 2.783(3) 7_655 ?
K1 O16 2.893(4) . ?
K1 O1 3.014(3) . ?
K1 O15 3.099(4) 3_655 ?
K1 C1 3.427(4) . ?
K1 C7 3.490(4) . ?
K1 K2 4.1401(10) . ?
K2 O13 2.712(2) 8_465 ?
K2 O13 2.712(2) 5_455 ?
K2 O11 2.766(2) 7_655 ?
K2 O11 2.766(2) 6_664 ?
K2 O5 2.896(3) 6_664 ?
K2 O5 2.896(3) 7_655 ?
K2 O16 3.229(4) 4_575 ?
K2 O16 3.229(4) . ?
K2 C5 3.334(3) 6_664 ?
K2 C5 3.334(3) 7_655 ?
K2 Ni4 3.4704(7) 4_575 ?
K2 H16B 2.4008 . ?
K3 O2 2.651(4) . ?
K3 O2 2.651(4) 4_576 ?
K3 O18A 2.685(6) 2_775 ?
K3 O18A 2.685(6) 3_755 ?
K3 O17 3.085(4) 4_576 ?
K3 O17 3.085(4) . ?
K3 O6 3.274(5) 4_576 ?
K3 O6 3.274(5) . ?
K3 Ni2 3.5093(3) 2_775 ?
K3 H17A 2.9914 . ?
K3' K3' 1.488(18) 4_576 ?
K3' O18B 2.328(8) 3_755 ?
K3' O6 2.615(8) 4_576 ?
K3' O18B 2.642(8) 2_775 ?
K3' O2 2.857(6) 4_576 ?
K3' O16 2.920(11) 2_775 ?
K3' C6 3.124(9) 4_576 ?
K3' O17 3.265(8) . ?
K3' Ni2 3.700(5) 2_775 ?
K3' K1 4.827(10) 2_775 ?
K3' K2 5.031(8) 2_775 ?
K3' H17A 2.8816 . ?
O1 C1 1.266(5) . ?
O2 C1 1.251(5) . ?
O2 K3' 2.857(6) 4_576 ?
O3 C3 1.407(4) . ?
O3 Ni4 2.066(2) 6_665 ?
O3 Ni1 2.141(2) 3_755 ?
O4 C5 1.258(4) . ?
O4 Ni3 2.107(3) 6_665 ?
O4 K1 2.670(3) 6_665 ?
O5 C5 1.244(4) . ?
O5 Ni4 2.027(2) 6_665 ?
O5 K2 2.896(3) 6_665 ?
O6 C6 1.239(5) . ?
O6 K3' 2.615(8) 4_576 ?
O7 C6 1.261(5) . ?
O7 Ni1 2.021(3) 3_755 ?
O8 C7 1.252(4) . ?
O9 C7 1.262(4) . ?
O10 C9 1.415(4) . ?
O10 Ni4 2.037(2) 8_565 ?
O10 Ni4 2.093(2) 6_665 ?
O11 C12 1.271(5) . ?
O11 Ni4 2.082(2) 6_665 ?
O11 K2 2.766(2) 6_665 ?
O12 C12 1.246(4) . ?
O12 K1 2.717(3) 7_645 ?
O13 C11 1.261(4) . ?
O13 Ni4 2.078(2) 8_565 ?
O13 K2 2.712(2) 5_545 ?
O14 C11 1.261(4) . ?
O14 Ni3 2.011(2) 5_545 ?
O14 K1 2.783(3) 7_645 ?
O15 K1 3.099(4) 3_655 ?
O15 H15A 0.9700 . ?
O15 H15B 0.9701 . ?
O16 K3' 2.920(11) 2_774 ?
O16 H16A 0.9700 . ?
O16 H16B 0.9700 . ?
O17 H17A 0.9486 . ?
O17 H17B 0.8655 . ?
O18A K3 2.685(6) 2_774 ?
O18B K3' 2.328(8) 3_755 ?
O18B K3' 2.642(8) 2_774 ?
C1 C2 1.512(5) . ?
C2 C3 1.543(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.547(5) . ?
C3 C6 1.560(5) . ?
C4 C5 1.521(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 K2 3.334(3) 6_665 ?
C6 K3' 3.124(9) 4_576 ?
C7 C8 1.520(5) . ?
C8 C9 1.543(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.535(5) . ?
C9 C12 1.549(5) . ?
C10 C11 1.509(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C12 K2 3.482(4) 6_665 ?

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
_geom_angle_publ_flag
O7 Ni1 O9 95.58(11) 3_755 . ?
O7 Ni1 O3 161.26(10) 3_755 . ?
O9 Ni1 O3 102.00(10) . . ?
O7 Ni1 O10 104.88(10) 3_755 . ?
O9 Ni1 O10 92.04(9) . . ?
O3 Ni1 O10 81.14(9) . . ?
O7 Ni1 O1 85.44(10) 3_755 . ?
O9 Ni1 O1 87.57(10) . . ?
O3 Ni1 O1 88.84(9) . . ?
O10 Ni1 O1 169.66(9) . . ?
O7 Ni1 O3 78.61(9) 3_755 3_755 ?
O9 Ni1 O3 167.40(9) . 3_755 ?
O3 Ni1 O3 85.33(9) . 3_755 ?
O10 Ni1 O3 78.86(8) . 3_755 ?
O1 Ni1 O3 102.95(9) . 3_755 ?
O7 Ni1 K1 79.69(8) 3_755 . ?
O9 Ni1 K1 40.58(7) . . ?
O3 Ni1 K1 109.76(7) . . ?
O10 Ni1 K1 132.16(6) . . ?
O1 Ni1 K1 49.47(7) . . ?
O3 Ni1 K1 146.11(6) 3_755 . ?
O2 Ni2 O2 95.51(15) 3_755 . ?
O2 Ni2 O17 176.95(13) 3_755 . ?
O2 Ni2 O17 84.87(12) . . ?
O2 Ni2 O17 84.87(12) 3_755 3_755 ?
O2 Ni2 O17 176.95(13) . 3_755 ?
O17 Ni2 O17 94.92(18) . 3_755 ?
O2 Ni2 O18A 80.37(17) 3_755 . ?
O2 Ni2 O18A 85.32(17) . . ?
O17 Ni2 O18A 96.66(17) . . ?
O17 Ni2 O18A 97.73(17) 3_755 . ?
O2 Ni2 O18A 85.32(17) 3_755 3_755 ?
O2 Ni2 O18A 80.37(17) . 3_755 ?
O17 Ni2 O18A 97.73(17) . 3_755 ?
O17 Ni2 O18A 96.66(17) 3_755 3_755 ?
O18A Ni2 O18A 158.7(3) . 3_755 ?
O2 Ni2 O18B 102.3(2) 3_755 3_755 ?
O2 Ni2 O18B 94.6(2) . 3_755 ?
O17 Ni2 O18B 80.63(19) . 3_755 ?
O17 Ni2 O18B 82.36(19) 3_755 3_755 ?
O2 Ni2 O18B 94.6(2) 3_755 . ?
O2 Ni2 O18B 102.3(2) . . ?
O17 Ni2 O18B 82.36(19) . . ?
O17 Ni2 O18B 80.63(19) 3_755 . ?
O18B Ni2 O18B 154.7(3) 3_755 . ?
O2 Ni2 K3 121.50(9) 3_755 . ?
O2 Ni2 K3 48.69(10) . . ?
O17 Ni2 K3 60.89(10) . . ?
O17 Ni2 K3 128.67(11) 3_755 . ?
O18A Ni2 K3 127.51(17) . . ?
O18A Ni2 K3 49.70(17) 3_755 . ?
O2 Ni2 K3 48.69(10) 3_755 2_774 ?
O2 Ni2 K3 121.50(10) . 2_774 ?
O17 Ni2 K3 128.67(11) . 2_774 ?
O17 Ni2 K3 60.89(10) 3_755 2_774 ?
O18A Ni2 K3 49.70(17) . 2_774 ?
O18A Ni2 K3 127.51(17) 3_755 2_774 ?
K3 Ni2 K3 168.259(18) . 2_774 ?
O2 Ni2 K3' 50.07(14) 3_755 2_774 ?
O2 Ni2 K3' 104.10(18) . 2_774 ?
O17 Ni2 K3' 126.90(13) . 2_774 ?
O17 Ni2 K3' 78.47(19) 3_755 2_774 ?
O18B Ni2 K3' 147.4(2) 3_755 2_774 ?
O18B Ni2 K3' 44.6(2) . 2_774 ?
O2 Ni2 K3' 104.10(18) 3_755 4_576 ?
O2 Ni2 K3' 50.07(14) . 4_576 ?
O17 Ni2 K3' 78.47(19) . 4_576 ?
O17 Ni2 K3' 126.90(13) 3_755 4_576 ?
O18B Ni2 K3' 44.5(2) 3_755 4_576 ?
O18B Ni2 K3' 147.4(2) . 4_576 ?
K3' Ni2 K3' 145.5(3) 2_774 4_576 ?
O14 Ni3 O14 97.06(13) 7_655 5_455 ?
O14 Ni3 O15 179.09(11) 7_655 . ?
O14 Ni3 O15 83.20(13) 5_455 . ?
O14 Ni3 O15 83.20(13) 7_655 3_655 ?
O14 Ni3 O15 179.09(11) 5_455 3_655 ?
O15 Ni3 O15 96.6(2) . 3_655 ?
O14 Ni3 O4 95.19(10) 7_655 6_664 ?
O14 Ni3 O4 96.08(10) 5_455 6_664 ?
O15 Ni3 O4 85.64(12) . 6_664 ?
O15 Ni3 O4 83.03(11) 3_655 6_664 ?
O14 Ni3 O4 96.08(10) 7_655 8_466 ?
O14 Ni3 O4 95.19(10) 5_455 8_466 ?
O15 Ni3 O4 83.03(11) . 8_466 ?
O15 Ni3 O4 85.64(12) 3_655 8_466 ?
O4 Ni3 O4 162.95(15) 6_664 8_466 ?
O14 Ni3 K1 118.82(7) 7_655 3_655 ?
O14 Ni3 K1 51.89(7) 5_455 3_655 ?
O15 Ni3 K1 60.68(11) . 3_655 ?
O15 Ni3 K1 128.71(11) 3_655 3_655 ?
O4 Ni3 K1 133.41(7) 6_664 3_655 ?
O4 Ni3 K1 48.93(7) 8_466 3_655 ?
O14 Ni3 K1 51.89(7) 7_655 . ?
O14 Ni3 K1 118.82(7) 5_455 . ?
O15 Ni3 K1 128.71(11) . . ?
O15 Ni3 K1 60.68(11) 3_655 . ?
O4 Ni3 K1 48.93(7) 6_664 . ?
O4 Ni3 K1 133.41(7) 8_466 . ?
K1 Ni3 K1 168.30(3) 3_655 . ?
O5 Ni4 O10 104.74(10) 6_664 8_465 ?
O5 Ni4 O3 92.24(9) 6_664 6_664 ?
O10 Ni4 O3 81.70(9) 8_465 6_664 ?
O5 Ni4 O13 88.12(10) 6_664 8_465 ?
O10 Ni4 O13 89.35(9) 8_465 8_465 ?
O3 Ni4 O13 170.84(9) 6_664 8_465 ?
O5 Ni4 O11 93.06(10) 6_664 6_664 ?
O10 Ni4 O11 160.77(10) 8_465 6_664 ?
O3 Ni4 O11 105.19(9) 6_664 6_664 ?
O13 Ni4 O11 83.92(9) 8_465 6_664 ?
O5 Ni4 O10 166.53(9) 6_664 6_664 ?
O10 Ni4 O10 85.39(9) 8_465 6_664 ?
O3 Ni4 O10 80.29(9) 6_664 6_664 ?
O13 Ni4 O10 101.04(9) 8_465 6_664 ?
O11 Ni4 O10 78.28(9) 6_664 6_664 ?
O5 Ni4 Ni4 148.79(7) 6_664 3_654 ?
O10 Ni4 Ni4 44.40(6) 8_465 3_654 ?
O3 Ni4 Ni4 87.85(6) 6_664 3_654 ?
O13 Ni4 Ni4 87.11(7) 8_465 3_654 ?
O11 Ni4 Ni4 117.03(7) 6_664 3_654 ?
O10 Ni4 Ni4 42.92(6) 6_664 3_654 ?
O5 Ni4 K2 56.50(7) 6_664 . ?
O10 Ni4 K2 132.99(7) 8_465 . ?
O3 Ni4 K2 135.32(7) 6_664 . ?
O13 Ni4 K2 51.37(7) 8_465 . ?
O11 Ni4 K2 52.85(7) 6_664 . ?
O10 Ni4 K2 122.45(6) 6_664 . ?
Ni4 Ni4 K2 135.853(9) 3_654 . ?
O4 K1 O12 111.85(9) 6_664 7_655 ?
O4 K1 O9 97.24(8) 6_664 . ?
O12 K1 O9 148.22(8) 7_655 . ?
O4 K1 O14 67.76(8) 6_664 7_655 ?
O12 K1 O14 76.94(7) 7_655 7_655 ?
O9 K1 O14 128.10(8) . 7_655 ?
O4 K1 O16 78.74(9) 6_664 . ?
O12 K1 O16 84.98(10) 7_655 . ?
O9 K1 O16 88.59(10) . . ?
O14 K1 O16 131.75(9) 7_655 . ?
O4 K1 O1 145.75(8) 6_664 . ?
O12 K1 O1 88.65(7) 7_655 . ?
O9 K1 O1 59.62(7) . . ?
O14 K1 O1 146.01(8) 7_655 . ?
O16 K1 O1 76.01(9) . . ?
O4 K1 O15 57.07(9) 6_664 3_655 ?
O12 K1 O15 131.54(8) 7_655 3_655 ?
O9 K1 O15 74.94(8) . 3_655 ?
O14 K1 O15 54.84(8) 7_655 3_655 ?
O16 K1 O15 129.27(11) . 3_655 ?
O1 K1 O15 128.09(8) . 3_655 ?
O4 K1 C1 165.17(9) 6_664 . ?
O12 K1 C1 80.76(8) 7_655 . ?
O9 K1 C1 68.87(8) . . ?
O14 K1 C1 124.58(8) 7_655 . ?
O16 K1 C1 95.22(10) . . ?
O1 K1 C1 21.46(8) . . ?
O15 K1 C1 120.90(9) 3_655 . ?
O4 K1 C7 78.60(8) 6_664 . ?
O12 K1 C7 165.07(8) 7_655 . ?
O9 K1 C7 18.74(8) . . ?
O14 K1 C7 117.65(8) 7_655 . ?
O16 K1 C7 86.81(10) . . ?
O1 K1 C7 77.26(7) . . ?
O15 K1 C7 62.83(8) 3_655 . ?
C1 K1 C7 87.61(8) . . ?
O4 K1 Ni3 36.51(6) 6_664 . ?
O12 K1 Ni3 104.21(6) 7_655 . ?
O9 K1 Ni3 106.84(6) . . ?
O14 K1 Ni3 34.65(5) 7_655 . ?
O16 K1 Ni3 113.88(8) . . ?
O1 K1 Ni3 164.09(5) . . ?
O15 K1 Ni3 36.01(6) 3_655 . ?
C1 K1 Ni3 150.70(7) . . ?
C7 K1 Ni3 90.52(6) . . ?
O4 K1 Ni1 117.95(6) 6_664 . ?
O12 K1 Ni1 120.17(6) 7_655 . ?
O9 K1 Ni1 28.89(5) . . ?
O14 K1 Ni1 151.97(6) 7_655 . ?
O16 K1 Ni1 74.72(7) . . ?
O1 K1 Ni1 32.22(5) . . ?
O15 K1 Ni1 103.28(6) 3_655 . ?
C1 K1 Ni1 47.22(6) . . ?
C7 K1 Ni1 45.30(6) . . ?
Ni3 K1 Ni1 135.55(3) . . ?
O4 K1 K2 57.31(6) 6_664 . ?
O12 K1 K2 61.29(6) 7_655 . ?
O9 K1 K2 133.27(6) . . ?
O14 K1 K2 81.37(6) 7_655 . ?
O16 K1 K2 50.98(7) . . ?
O1 K1 K2 118.48(5) . . ?
O15 K1 K2 110.45(7) 3_655 . ?
C1 K1 K2 128.47(6) . . ?
C7 K1 K2 121.41(7) . . ?
Ni3 K1 K2 76.54(2) . . ?
Ni1 K1 K2 125.70(3) . . ?
O13 K2 O13 102.51(11) 8_465 5_455 ?
O13 K2 O11 140.66(8) 8_465 7_655 ?
O13 K2 O11 61.01(7) 5_455 7_655 ?
O13 K2 O11 61.01(7) 8_465 6_664 ?
O13 K2 O11 140.66(8) 5_455 6_664 ?
O11 K2 O11 153.33(11) 7_655 6_664 ?
O13 K2 O5 61.09(7) 8_465 6_664 ?
O13 K2 O5 77.21(7) 5_455 6_664 ?
O11 K2 O5 134.90(7) 7_655 6_664 ?
O11 K2 O5 63.51(7) 6_664 6_664 ?
O13 K2 O5 77.21(7) 8_465 7_655 ?
O13 K2 O5 61.09(7) 5_455 7_655 ?
O11 K2 O5 63.51(7) 7_655 7_655 ?
O11 K2 O5 134.90(7) 6_664 7_655 ?
O5 K2 O5 111.46(10) 6_664 7_655 ?
O13 K2 O16 117.28(8) 8_465 4_575 ?
O13 K2 O16 118.51(8) 5_455 4_575 ?
O11 K2 O16 58.39(8) 7_655 4_575 ?
O11 K2 O16 100.33(9) 6_664 4_575 ?
O5 K2 O16 162.99(9) 6_664 4_575 ?
O5 K2 O16 83.43(8) 7_655 4_575 ?
O13 K2 O16 118.51(8) 8_465 . ?
O13 K2 O16 117.28(8) 5_455 . ?
O11 K2 O16 100.33(9) 7_655 . ?
O11 K2 O16 58.39(8) 6_664 . ?
O5 K2 O16 83.43(8) 6_664 . ?
O5 K2 O16 162.99(9) 7_655 . ?
O16 K2 O16 83.25(14) 4_575 . ?
O13 K2 C5 81.28(8) 8_465 6_664 ?
O13 K2 C5 78.18(8) 5_455 6_664 ?
O11 K2 C5 124.03(8) 7_655 6_664 ?
O11 K2 C5 64.64(8) 6_664 6_664 ?
O5 K2 C5 21.60(8) 6_664 6_664 ?
O5 K2 C5 127.52(8) 7_655 6_664 ?
O16 K2 C5 148.16(10) 4_575 6_664 ?
O16 K2 C5 64.93(9) . 6_664 ?
O13 K2 C5 78.18(8) 8_465 7_655 ?
O13 K2 C5 81.28(8) 5_455 7_655 ?
O11 K2 C5 64.64(8) 7_655 7_655 ?
O11 K2 C5 124.03(8) 6_664 7_655 ?
O5 K2 C5 127.52(8) 6_664 7_655 ?
O5 K2 C5 21.60(8) 7_655 7_655 ?
O16 K2 C5 64.93(9) 4_575 7_655 ?
O16 K2 C5 148.16(10) . 7_655 ?
C5 K2 C5 146.91(12) 6_664 7_655 ?
O13 K2 Ni4 36.76(5) 8_465 . ?
O13 K2 Ni4 107.99(6) 5_455 . ?
O11 K2 Ni4 168.98(6) 7_655 . ?
O11 K2 Ni4 36.86(5) 6_664 . ?
O5 K2 Ni4 35.70(5) 6_664 . ?
O5 K2 Ni4 111.67(6) 7_655 . ?
O16 K2 Ni4 132.22(7) 4_575 . ?
O16 K2 Ni4 85.18(7) . . ?
C5 K2 Ni4 49.80(6) 6_664 . ?
C5 K2 Ni4 114.92(6) 7_655 . ?
O13 K2 Ni4 107.99(6) 8_465 4_575 ?
O13 K2 Ni4 36.76(5) 5_455 4_575 ?
O11 K2 Ni4 36.86(5) 7_655 4_575 ?
O11 K2 Ni4 168.98(6) 6_664 4_575 ?
O5 K2 Ni4 111.67(6) 6_664 4_575 ?
O5 K2 Ni4 35.70(5) 7_655 4_575 ?
O16 K2 Ni4 85.18(7) 4_575 4_575 ?
O16 K2 Ni4 132.22(7) . 4_575 ?
C5 K2 Ni4 114.92(6) 6_664 4_575 ?
C5 K2 Ni4 49.80(6) 7_655 4_575 ?
Ni4 K2 Ni4 133.68(4) . 4_575 ?
O13 K2 H16B 109.0 8_465 . ?
O13 K2 H16B 126.1 5_455 . ?
O11 K2 H16B 109.1 7_655 . ?
O11 K2 H16B 48.4 6_664 . ?
O5 K2 H16B 81.3 6_664 . ?
O5 K2 H16B 167.2 7_655 . ?
O16 K2 H16B 83.7 4_575 . ?
O16 K2 H16B 10.4 . . ?
C5 K2 H16B 65.2 6_664 . ?
C5 K2 H16B 146.7 7_655 . ?
Ni4 K2 H16B 77.5 . . ?
Ni4 K2 H16B 142.4 4_575 . ?
O2 K3 O2 136.7(3) . 4_576 ?
O2 K3 O18A 156.05(16) . 2_775 ?
O2 K3 O18A 59.30(12) 4_576 2_775 ?
O2 K3 O18A 59.30(12) . 3_755 ?
O2 K3 O18A 156.05(16) 4_576 3_755 ?
O18A K3 O18A 113.7(3) 2_775 3_755 ?
O2 K3 O17 106.98(14) . 4_576 ?
O2 K3 O17 56.90(9) 4_576 4_576 ?
O18A K3 O17 64.23(12) 2_775 4_576 ?
O18A K3 O17 144.25(15) 3_755 4_576 ?
O2 K3 O17 56.90(9) . . ?
O2 K3 O17 106.98(14) 4_576 . ?
O18A K3 O17 144.25(15) 2_775 . ?
O18A K3 O17 64.23(12) 3_755 . ?
O17 K3 O17 139.7(2) 4_576 . ?
O2 K3 O6 103.96(9) . 4_576 ?
O2 K3 O6 81.02(8) 4_576 4_576 ?
O18A K3 O6 95.75(15) 2_775 4_576 ?
O18A K3 O6 76.90(14) 3_755 4_576 ?
O17 K3 O6 137.92(10) 4_576 4_576 ?
O17 K3 O6 48.50(8) . 4_576 ?
O2 K3 O6 81.02(8) . . ?
O2 K3 O6 103.96(9) 4_576 . ?
O18A K3 O6 76.90(14) 2_775 . ?
O18A K3 O6 95.75(15) 3_755 . ?
O17 K3 O6 48.50(8) 4_576 . ?
O17 K3 O6 137.92(10) . . ?
O6 K3 O6 166.7(2) 4_576 . ?
O2 K3 Ni2 35.34(6) . . ?
O2 K3 Ni2 142.26(14) 4_576 . ?
O18A K3 Ni2 148.2(2) 2_775 . ?
O18A K3 Ni2 35.61(10) 3_755 . ?
O17 K3 Ni2 142.32(12) 4_576 . ?
O17 K3 Ni2 35.44(5) . . ?
O6 K3 Ni2 72.63(6) 4_576 . ?
O6 K3 Ni2 107.84(6) . . ?
O2 K3 Ni2 142.26(14) . 2_775 ?
O2 K3 Ni2 35.34(6) 4_576 2_775 ?
O18A K3 Ni2 35.61(10) 2_775 2_775 ?
O18A K3 Ni2 148.2(2) 3_755 2_775 ?
O17 K3 Ni2 35.44(5) 4_576 2_775 ?
O17 K3 Ni2 142.32(12) . 2_775 ?
O6 K3 Ni2 107.84(6) 4_576 2_775 ?
O6 K3 Ni2 72.63(6) . 2_775 ?
Ni2 K3 Ni2 176.13(19) . 2_775 ?
O2 K3 H17A 74.5 . . ?
O2 K3 H17A 96.3 4_576 . ?
O18A K3 H17A 126.4 2_775 . ?
O18A K3 H17A 68.8 3_755 . ?
O17 K3 H17A 143.7 4_576 . ?
O17 K3 H17A 17.9 . . ?
O6 K3 H17A 30.7 4_576 . ?
O6 K3 H17A 155.3 . . ?
Ni2 K3 H17A 48.5 . . ?
Ni2 K3 H17A 130.4 2_775 . ?
K3' K3' O18B 84.6(5) 4_576 3_755 ?
K3' K3' O6 152.4(6) 4_576 4_576 ?
O18B K3' O6 74.3(2) 3_755 4_576 ?
K3' K3' O18B 61.3(4) 4_576 2_775 ?
O18B K3' O18B 135.5(3) 3_755 2_775 ?
O6 K3' O18B 145.7(4) 4_576 2_775 ?
K3' K3' O2 101.5(3) 4_576 4_576 ?
O18B K3' O2 152.6(4) 3_755 4_576 ?
O6 K3' O2 90.1(2) 4_576 4_576 ?
O18B K3' O2 67.89(18) 2_775 4_576 ?
K3' K3' O16 118.63(16) 4_576 2_775 ?
O18B K3' O16 81.3(3) 3_755 2_775 ?
O6 K3' O16 76.1(3) 4_576 2_775 ?
O18B K3' O16 90.5(3) 2_775 2_775 ?
O2 K3' O16 117.2(3) 4_576 2_775 ?
K3' K3' C6 170.5(3) 4_576 4_576 ?
O18B K3' C6 95.5(3) 3_755 4_576 ?
O6 K3' C6 22.78(12) 4_576 4_576 ?
O18B K3' C6 122.9(3) 2_775 4_576 ?
O2 K3' C6 74.21(18) 4_576 4_576 ?
O16 K3' C6 70.7(2) 2_775 4_576 ?
K3' K3' O17 101.8(4) 4_576 . ?
O18B K3' O17 55.0(2) 3_755 . ?
O6 K3' O17 51.43(14) 4_576 . ?
O18B K3' O17 152.8(4) 2_775 . ?
O2 K3' O17 97.7(2) 4_576 . ?
O16 K3' O17 116.7(2) 2_775 . ?
C6 K3' O17 70.85(16) 4_576 . ?
K3' K3' Ni2 80.3(4) 4_576 2_775 ?
O18B K3' Ni2 164.9(4) 3_755 2_775 ?
O6 K3' Ni2 119.6(2) 4_576 2_775 ?
O18B K3' Ni2 34.67(14) 2_775 2_775 ?
O2 K3' Ni2 33.22(8) 4_576 2_775 ?
O16 K3' Ni2 107.0(2) 2_775 2_775 ?
C6 K3' Ni2 99.17(18) 4_576 2_775 ?
O17 K3' Ni2 127.2(2) . 2_775 ?
K3' K3' Ni2 76.6(5) 4_576 . ?
O18B K3' Ni2 31.49(19) 3_755 . ?
O6 K3' Ni2 76.07(16) 4_576 . ?
O18B K3' Ni2 137.9(4) 2_775 . ?
O2 K3' Ni2 123.5(3) 4_576 . ?
O16 K3' Ni2 111.93(18) 2_775 . ?
C6 K3' Ni2 98.49(17) 4_576 . ?
O17 K3' Ni2 33.04(9) . . ?
Ni2 K3' Ni2 140.7(3) 2_775 . ?
K3' K3' K1 113.2(3) 4_576 2_775 ?
O18B K3' K1 114.3(3) 3_755 2_775 ?
O6 K3' K1 91.9(3) 4_576 2_775 ?
O18B K3' K1 62.5(2) 2_775 2_775 ?
O2 K3' K1 88.1(2) 4_576 2_775 ?
O16 K3' K1 33.69(12) 2_775 2_775 ?
C6 K3' K1 75.4(2) 4_576 2_775 ?
O17 K3' K1 142.6(3) . 2_775 ?
Ni2 K3' K1 73.34(14) 2_775 2_775 ?
Ni2 K3' K1 145.49(19) . 2_775 ?
K3' K3' K2 81.49(10) 4_576 2_775 ?
O18B K3' K2 74.6(2) 3_755 2_775 ?
O6 K3' K2 109.0(3) 4_576 2_775 ?
O18B K3' K2 72.9(2) 2_775 2_775 ?
O2 K3' K2 132.5(2) 4_576 2_775 ?
O16 K3' K2 37.18(11) 2_775 2_775 ?
C6 K3' K2 107.8(3) 4_576 2_775 ?
O17 K3' K2 128.45(15) . 2_775 ?
Ni2 K3' K2 104.18(16) 2_775 2_775 ?
Ni2 K3' K2 103.41(12) . 2_775 ?
K1 K3' K2 49.61(9) 2_775 2_775 ?
K3' K3' H17A 118.0 4_576 . ?
O18B K3' H17A 59.9 3_755 . ?
O6 K3' H17A 35.2 4_576 . ?
O18B K3' H17A 160.7 2_775 . ?
O2 K3' H17A 94.4 4_576 . ?
O16 K3' H17A 105.0 2_775 . ?
C6 K3' H17A 54.8 4_576 . ?
O17 K3' H17A 16.3 . . ?
Ni2 K3' H17A 127.2 2_775 . ?
Ni2 K3' H17A 46.0 . . ?
K1 K3' H17A 127.0 2_775 . ?
K2 K3' H17A 126.4 2_775 . ?
C1 O1 Ni1 121.6(2) . . ?
C1 O1 K1 98.0(2) . . ?
Ni1 O1 K1 98.31(9) . . ?
C1 O2 Ni2 129.6(2) . . ?
C1 O2 K3 130.9(2) . . ?
Ni2 O2 K3 95.96(12) . . ?
C1 O2 K3' 118.5(3) . 4_576 ?
Ni2 O2 K3' 96.71(17) . 4_576 ?
C3 O3 Ni1 128.4(2) . . ?
C3 O3 Ni4 119.1(2) . 6_665 ?
Ni1 O3 Ni4 100.29(9) . 6_665 ?
C3 O3 Ni1 111.66(19) . 3_755 ?
Ni1 O3 Ni1 92.56(9) . 3_755 ?
Ni4 O3 Ni1 98.22(9) 6_665 3_755 ?
C5 O4 Ni3 132.1(2) . 6_665 ?
C5 O4 K1 132.6(2) . 6_665 ?
Ni3 O4 K1 94.56(9) 6_665 6_665 ?
C5 O5 Ni4 120.6(2) . 6_665 ?
C5 O5 K2 99.4(2) . 6_665 ?
Ni4 O5 K2 87.80(9) 6_665 6_665 ?
C6 O6 K3' 102.4(3) . 4_576 ?
C6 O6 K3 108.3(3) . . ?
C6 O7 Ni1 115.4(2) . 3_755 ?
C7 O9 Ni1 120.9(2) . . ?
C7 O9 K1 117.3(2) . . ?
Ni1 O9 K1 110.53(10) . . ?
C9 O10 Ni4 125.59(19) . 8_565 ?
C9 O10 Ni1 120.97(19) . . ?
Ni4 O10 Ni1 101.05(9) 8_565 . ?
C9 O10 Ni4 112.00(19) . 6_665 ?
Ni4 O10 Ni4 92.68(9) 8_565 6_665 ?
Ni1 O10 Ni4 97.97(9) . 6_665 ?
C12 O11 Ni4 110.2(2) . 6_665 ?
C12 O11 K2 114.0(2) . 6_665 ?
Ni4 O11 K2 90.30(9) 6_665 6_665 ?
C12 O12 K1 125.7(2) . 7_645 ?
C11 O13 Ni4 120.8(2) . 8_565 ?
C11 O13 K2 124.5(2) . 5_545 ?
Ni4 O13 K2 91.87(8) 8_565 5_545 ?
C11 O14 Ni3 127.7(2) . 5_545 ?
C11 O14 K1 132.5(2) . 7_645 ?
Ni3 O14 K1 93.46(9) 5_545 7_645 ?
Ni3 O15 K1 83.32(11) . 3_655 ?
Ni3 O15 H15A 114.7 . . ?
K1 O15 H15A 114.7 3_655 . ?
Ni3 O15 H15B 114.8 . . ?
K1 O15 H15B 114.8 3_655 . ?
H15A O15 H15B 111.8 . . ?
K1 O16 K3' 112.27(16) . 2_774 ?
K1 O16 K2 84.90(9) . . ?
K3' O16 K2 109.69(19) 2_774 . ?
K1 O16 H16A 109.2 . . ?
K3' O16 H16A 110.0 2_774 . ?
K2 O16 H16A 128.0 . . ?
K1 O16 H16B 109.2 . . ?
K3' O16 H16B 108.2 2_774 . ?
K2 O16 H16B 26.5 . . ?
H16A O16 H16B 107.9 . . ?
Ni2 O17 K3 83.67(10) . . ?
Ni2 O17 K3' 86.60(15) . . ?
Ni2 O17 H17A 125.6 . . ?
K3 O17 H17A 75.5 . . ?
K3' O17 H17A 58.3 . . ?
Ni2 O17 H17B 120.2 . . ?
K3 O17 H17B 151.8 . . ?
K3' O17 H17B 152.8 . . ?
H17A O17 H17B 98.4 . . ?
Ni2 O18A K3 94.70(19) . 2_774 ?
Ni2 O18B K3' 113.9(3) . 3_755 ?
Ni2 O18B K3' 100.8(3) . 2_774 ?
K3' O18B K3' 34.1(4) 3_755 2_774 ?
O2 C1 O1 124.6(3) . . ?
O2 C1 C2 116.8(3) . . ?
O1 C1 C2 118.5(3) . . ?
O2 C1 K1 115.7(2) . . ?
O1 C1 K1 60.57(19) . . ?
C2 C1 K1 91.9(2) . . ?
C1 C2 C3 116.0(3) . . ?
C1 C2 H2A 108.3 . . ?
C3 C2 H2A 108.3 . . ?
C1 C2 H2B 108.3 . . ?
C3 C2 H2B 108.3 . . ?
H2A C2 H2B 107.4 . . ?
O3 C3 C2 110.9(3) . . ?
O3 C3 C4 112.5(3) . . ?
C2 C3 C4 104.5(3) . . ?
O3 C3 C6 109.2(3) . . ?
C2 C3 C6 110.6(3) . . ?
C4 C3 C6 109.0(3) . . ?
C5 C4 C3 118.1(3) . . ?
C5 C4 H4A 107.8 . . ?
C3 C4 H4A 107.8 . . ?
C5 C4 H4B 107.8 . . ?
C3 C4 H4B 107.8 . . ?
H4A C4 H4B 107.1 . . ?
O5 C5 O4 124.3(3) . . ?
O5 C5 C4 119.2(3) . . ?
O4 C5 C4 116.5(3) . . ?
O5 C5 K2 58.97(18) . 6_665 ?
O4 C5 K2 87.5(2) . 6_665 ?
C4 C5 K2 124.8(2) . 6_665 ?
O6 C6 O7 122.4(3) . . ?
O6 C6 C3 118.8(3) . . ?
O7 C6 C3 118.7(3) . . ?
O6 C6 K3' 54.8(3) . 4_576 ?
O7 C6 K3' 100.5(3) . 4_576 ?
C3 C6 K3' 116.8(3) . 4_576 ?
O8 C7 O9 122.9(4) . . ?
O8 C7 C8 118.0(3) . . ?
O9 C7 C8 119.1(3) . . ?
O8 C7 K1 90.8(2) . . ?
O9 C7 K1 43.94(16) . . ?
C8 C7 K1 138.2(2) . . ?
C7 C8 C9 111.5(3) . . ?
C7 C8 H8A 109.3 . . ?
C9 C8 H8A 109.3 . . ?
C7 C8 H8B 109.3 . . ?
C9 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
O10 C9 C10 110.9(3) . . ?
O10 C9 C8 110.2(3) . . ?
C10 C9 C8 106.9(3) . . ?
O10 C9 C12 109.4(3) . . ?
C10 C9 C12 112.0(3) . . ?
C8 C9 C12 107.3(3) . . ?
C11 C10 C9 112.4(3) . . ?
C11 C10 H10A 109.1 . . ?
C9 C10 H10A 109.1 . . ?
C11 C10 H10B 109.1 . . ?
C9 C10 H10B 109.1 . . ?
H10A C10 H10B 107.9 . . ?
O13 C11 O14 124.9(3) . . ?
O13 C11 C10 118.4(3) . . ?
O14 C11 C10 116.7(3) . . ?
O12 C12 O11 124.3(3) . . ?
O12 C12 C9 117.8(3) . . ?
O11 C12 C9 117.8(3) . . ?
O12 C12 K2 90.3(2) . 6_665 ?
O11 C12 K2 46.54(17) . 6_665 ?
C9 C12 K2 139.9(2) . 6_665 ?

_refine_diff_density_max         1.418
_refine_diff_density_min         -0.360
_refine_diff_density_rms         0.097

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 1056703'
_audit_update_record             
;
2016-05-25 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H89 K14 Ni17 O117'
_chemical_formula_weight         4371.90

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'
K K 0.2009 0.2494 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_space_group_name_Hall           '-P 2ab 2ac'

_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.
;

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.005 0.136 0.248 55 18 ' '
2 -0.005 -0.136 0.752 55 18 ' '
3 0.495 0.136 0.748 55 18 ' '
4 0.505 -0.136 0.252 55 18 ' '
5 0.005 0.196 0.381 5 4 ' '
6 0.495 0.196 0.881 5 4 ' '
7 0.495 0.364 0.248 55 18 ' '
8 1.005 0.364 0.748 55 18 ' '
9 0.005 0.304 0.881 5 4 ' '
10 0.495 0.304 0.381 5 4 ' '
11 0.505 0.636 0.752 55 18 ' '
12 0.995 0.636 0.252 55 18 ' '
13 0.505 0.696 0.619 6 4 ' '
14 0.995 0.696 0.119 6 4 ' '
15 0.505 0.804 0.119 6 4 ' '
16 0.995 0.804 0.619 6 4 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
; 
;

# SQUEEZE RESULTS (APPEND TO CIF)
_platon_2_details                
;
10 disordered water molecules per molecule were removed by 
SQUEEZE. The values were calculated based on elemental 
analysis data 
and thermogravimetric analysis.   
;
#===========================================================================
# start Validation Reply Form
#===========================================================================

#ALERTS LEVEL B
#=============

_vrf_DIFMN02_2                   
;
PROBLEM: The minimum difference density is < -0.1*ZMAX*1.00
RESPONSE: The value is -3.654 in comparison to the test value -2.800.
The molecule shows some positional disorder
 in potassium, carbon and oxygen atoms, especially in the terminal part of the structure. We were able
 to locate the large molecule with a large 
number of constraints and restraints. 
It is far from what is expected to be the 
ideal structure, but is very good for 
this kind of compounds. 
;

_vrf_DIFMX01_2                   
;
PROBLEM: The maximum difference density is > 0.1*ZMAX*1.00
RESPONSE: Please see response to DIFMN02_2.
;

_vrf_PLAT097_2                   
;
PROBLEM: Large Reported Max.  (Positive) Residual Density       4.84 eA-3  
RESPONSE: Please see response to DIFMN02_2.
;

_vrf_PLAT098_2                   
;
PROBLEM: Large Reported Min.  (Negative) Residual Density      -3.61 eA-3  
RESPONSE: Please see response to DIFMN02_2.
;

_vrf_PLAT220_2                   
;
PROBLEM: Non-Solvent Resd 1   O   Ueq(max)/Ueq(min) Range        6.2 Ratio 
RESPONSE: This alert is generated because there is a large amount of 
disordered H2O molecules coordinate 
with potassium atoms. 
;

_vrf_PLAT420_2                   
;
PROBLEM: D-H Without Acceptor       O11    --  H11D   ...
PROBLEM: D-H Without Acceptor       O14    --  H14A   ... 
PROBLEM: D-H Without Acceptor       O14    --  H14A   ... 
PROBLEM: D-H Without Acceptor       O53    --  H53B   ... 
PROBLEM: D-H Without Acceptor       O55    --  H55B   ...  
RESPONSE:  Positions were optimised to match electron density map. Acceptor 
could be free H2O molecules that are not 
included in the model.
;

_vrf_PLAT430_2                   
;
PROBLEM: Short Inter D...A Contact  O10    ..  O50'    ..       2.76 Ang.
RESPONSE: O50' is regarded as a disordered part of O50.
;

#=========================================================================== 
# end Validation Reply Form 
#=========================================================================


loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'

_cell_length_a                   41.275(4)
_cell_length_b                   13.1665(12)
_cell_length_c                   24.798(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13477(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    11869
_cell_measurement_theta_min      1.62
_cell_measurement_theta_max      25.00

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.155
_exptl_crystal_F_000             8796
_exptl_transmission_factor_min   0.5965
_exptl_transmission_factor_max   0.7615
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    2.881
_shelx_estimated_absorpt_T_min   0.596
_shelx_estimated_absorpt_T_max   0.762
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.715
_exptl_absorpt_correction_T_max  0.750
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            71281
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.623
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             11869
_reflns_number_gt                10641
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0336P)²+409.0711P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11869
_refine_ls_number_parameters     938
_refine_ls_number_restraints     257
_refine_ls_R_factor_all          0.0871
_refine_ls_R_factor_gt           0.0788
_refine_ls_wR_factor_ref         0.1719
_refine_ls_wR_factor_gt          0.1679
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_restrained_S_all      1.197
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.07975(2) 0.61824(8) -0.04807(4) 0.0038(2) Uani 1 1 d . . . . .
Ni2 Ni 0.13109(2) 0.67477(8) -0.13747(4) 0.0039(2) Uani 1 1 d . . . . .
Ni3 Ni 0.09512(3) 0.21769(8) -0.02578(4) 0.0075(2) Uani 1 1 d . . . . .
Ni4 Ni 0.21963(3) 0.31250(8) 0.07145(4) 0.0067(2) Uani 1 1 d . . . . .
Ni5 Ni 0.11025(2) 0.82631(8) -0.04567(4) 0.0045(2) Uani 1 1 d . . . . .
Ni6 Ni 0.06494(3) 0.76882(8) -0.14437(4) 0.0050(2) Uani 1 1 d . . . . .
Ni7 Ni 0.23112(3) 0.15459(9) 0.16707(4) 0.0101(2) Uani 1 1 d . . . . .
Ni8 Ni 0.2500 0.2500 -0.12870(6) 0.0126(4) Uani 1 2 d S T P . .
Ni9 Ni 0.09743(3) 0.75696(9) 0.15458(4) 0.0117(3) Uani 1 1 d . U . . .
K1 K 0.2500 0.7500 0.00269(11) 0.0120(3) Uani 1 2 d S T P A .
K2 K 0.10184(5) 0.22628(16) -0.18895(9) 0.0204(5) Uani 1 1 d . U . . .
K3 K 0.18214(5) 0.40411(15) -0.20404(7) 0.0120(3) Uani 1 1 d . U . . .
K4 K 0.03739(5) 0.46654(16) 0.04725(9) 0.0175(4) Uani 1 1 d . . . . .
K5 K 0.31883(7) 0.8130(2) 0.13506(11) 0.0388(6) Uani 1 1 d . U . . .
K6 K 0.09326(9) 0.4781(3) 0.18099(13) 0.0629(10) Uani 1 1 d . U . . .
K7 K 0.12552(10) 0.4587(3) -0.31271(14) 0.0643(10) Uani 1 1 d . U . . .
K8 K 0.23878(19) 0.8130(6) -0.1687(3) 0.0172(12) Uani 0.313(4) 1 d . U P A 1
K8' K 0.2301(3) 0.8244(11) -0.1744(6) 0.0176(12) Uani 0.187(4) 1 d . U P A 2
O1 O 0.11240(14) 0.6832(4) 0.3700(2) 0.0066(5) Uani 1 1 d . . . . .
O2 O 0.08260(14) 0.6267(4) -0.1312(2) 0.0066(5) Uani 1 1 d . . . . .
O3 O 0.06417(14) 0.7690(4) -0.0604(2) 0.0066(5) Uani 1 1 d . . . . .
O4 O 0.12495(14) 0.6767(4) -0.0541(2) 0.0066(5) Uani 1 1 d . . . . .
O5 O 0.06675(14) 0.7403(5) -0.2267(2) 0.0099(13) Uani 1 1 d . . . . .
O6 O 0.01682(14) 0.7408(5) -0.1487(2) 0.0151(14) Uani 1 1 d . . . . .
O7 O 0.06255(14) 0.5819(5) 0.3318(2) 0.0123(13) Uani 1 1 d . . . . .
O8 O 0.06449(19) 0.6516(5) 0.1840(3) 0.0229(15) Uani 1 1 d . U . . .
H8A H 0.0475 0.6506 0.1645 0.028 Uiso 1 1 d R U . . .
H8B H 0.0591 0.6663 0.2161 0.028 Uiso 1 1 d R U . . .
O9 O 0.11845(16) 0.6527(5) 0.1039(2) 0.0122(13) Uani 1 1 d . U . . .
O10 O 0.06335(15) 0.8088(5) 0.1010(2) 0.0102(13) Uani 1 1 d . . . . .
O11 O 0.13078(16) 0.8622(5) 0.1264(2) 0.0146(13) Uani 1 1 d . U . . .
H11C H 0.1499 0.8390 0.1302 0.018 Uiso 1 1 d R U . . .
H11D H 0.1292 0.9167 0.1445 0.018 Uiso 1 1 d R U . . .
O12 O 0.07827(16) 0.6358(5) -0.2941(2) 0.0132(14) Uani 1 1 d . . . . .
O13 O 0.12950(19) 0.6963(5) 0.2101(3) 0.0222(16) Uani 1 1 d . U . . .
O14 O 0.04959(15) 0.1554(5) -0.0289(2) 0.0133(13) Uani 1 1 d . . . . .
H14B H 0.0476 0.1113 -0.0041 0.016 Uiso 1 1 d R U . . .
H14A H 0.0469 0.1261 -0.0591 0.016 Uiso 1 1 d R U . . .
O15 O 0.11155(16) 0.1119(5) 0.0303(2) 0.0130(13) Uani 1 1 d . . . . .
H15B H 0.0972 0.1117 0.0607 0.016 Uiso 1 1 d R U . . .
H15A H 0.1117 0.0533 0.0159 0.016 Uiso 1 1 d R U . . .
O16 O 0.11358(15) 0.3717(4) 0.4141(2) 0.0085(12) Uani 1 1 d . U . . .
O17 O 0.08066(15) 0.3153(4) -0.0865(2) 0.0113(13) Uani 1 1 d . . . . .
O18 O 0.07929(16) 0.3033(5) 0.0389(2) 0.0148(14) Uani 1 1 d . . . . .
O19 O 0.22326(16) 0.3258(5) 0.3160(3) 0.0186(15) Uani 1 1 d . U . . .
O20 O 0.27973(15) 0.3285(5) -0.0767(2) 0.0143(14) Uani 1 1 d . . . . .
O21 O 0.21874(17) 0.3774(5) -0.1154(3) 0.0190(15) Uani 1 1 d . . . . .
H21C H 0.2300 0.4304 -0.1095 0.023 Uiso 1 1 d R U . . .
H21D H 0.2067 0.3666 -0.0882 0.023 Uiso 1 1 d R U . . .
O22 O 0.22149(14) 0.3102(4) 0.1549(2) 0.0066(5) Uani 1 1 d . . . . .
O23 O 0.28328(14) 0.2168(5) -0.0101(2) 0.0106(13) Uani 1 1 d . . . . .
O24 O 0.22324(15) 0.4620(5) 0.0514(2) 0.0121(13) Uani 1 1 d . . . . .
O25 O 0.16998(15) 0.3126(5) 0.0714(2) 0.0115(13) Uani 1 1 d . U . . .
O26 O 0.26946(14) 0.3383(4) 0.0837(2) 0.0066(5) Uani 1 1 d . . . . .
O27 O 0.18312(15) 0.1628(5) 0.1875(2) 0.0154(14) Uani 1 1 d . . . . .
O28 O 0.26675(17) 0.4987(6) 0.1638(3) 0.0227(16) Uani 1 1 d . . . . .
O29 O 0.08801(15) 0.4655(5) -0.0482(2) 0.0100(13) Uani 1 1 d . . . . .
O30 O 0.13384(15) 0.8016(5) 0.2796(2) 0.0107(13) Uani 1 1 d . . . . .
O31 O 0.17884(14) 0.7030(5) -0.1317(2) 0.0090(12) Uani 1 1 d . U . . .
O32 O 0.08477(14) 0.6187(4) 0.0362(2) 0.0073(12) Uani 1 1 d . . . . .
O33 O 0.03081(13) 0.6056(4) -0.0319(2) 0.0065(12) Uani 1 1 d . U . . .
O34 O 0.10238(14) 0.5226(4) 0.4499(2) 0.0079(12) Uani 1 1 d . . . . .
O35 O 0.15652(14) 0.8359(5) -0.0167(2) 0.0085(12) Uani 1 1 d . . . . .
O36 O 0.09795(14) 0.8369(4) 0.0342(2) 0.0072(12) Uani 1 1 d . . . . .
O37 O 0.13844(15) 0.2972(5) -0.0248(2) 0.0136(14) Uani 1 1 d . . . . .
H37B H 0.1353 0.3580 -0.0349 0.016 Uiso 1 1 d R U . . .
H37A H 0.1461 0.2967 0.0071 0.016 Uiso 1 1 d R U . . .
O38 O 0.14568(17) 0.2674(6) 0.2204(3) 0.0272(17) Uani 1 1 d . . . . .
O39 O 0.25907(15) 0.3528(5) 0.2496(2) 0.0165(15) Uani 1 1 d . . . . .
O40 O 0.11097(16) 0.4198(5) -0.2113(3) 0.0148(13) Uani 1 1 d . U . . .
O41 O 0.13617(14) 0.5259(4) -0.1556(2) 0.0075(12) Uani 1 1 d . . . . .
O42 O 0.12477(16) 0.3812(6) 0.1022(2) 0.0196(15) Uani 1 1 d . U . . .
O43 O 0.25717(15) 0.5697(5) 0.0107(2) 0.0132(14) Uani 1 1 d . . . . .
O44 O 0.22228(15) 0.7023(5) -0.0796(2) 0.0152(14) Uani 1 1 d . . . . .
O45 O 0.19197(14) 0.7429(5) 0.0299(2) 0.0097(12) Uani 1 1 d . U . . .
O46 O -0.03038(17) 0.7329(6) -0.1088(3) 0.0259(17) Uani 1 1 d . . . . .
O47 O -0.00526(15) 0.6914(5) 0.0158(2) 0.0130(13) Uani 1 1 d . U . . .
O48 O 0.09307(16) 0.4700(5) 0.2883(2) 0.0156(14) Uani 1 1 d . . . . .
O49 O 0.2978(2) 0.6294(6) 0.1494(3) 0.041(2) Uani 1 1 d . . . . .
O50 O 0.0061(3) 0.7142(10) 0.1288(5) 0.0374(10) Uani 0.625(8) 1 d . . P A 1
O50' O 0.0137(6) 0.6230(17) 0.1216(8) 0.0374(10) Uani 0.375(8) 1 d . . P A 2
O51 O 0.2336(2) 0.9754(7) -0.1038(3) 0.0374(10) Uani 1 1 d . U . . .
O52 O 0.2500 0.7500 0.0991(4) 0.023(2) Uani 1 2 d S T P . .
H52B H 0.2361 0.7919 0.1110 0.028 Uiso 0.5 1 d R U P A .
O53 O 0.2701(2) 0.8405(7) 0.2115(3) 0.0388(11) Uani 1 1 d . . . . .
H53B H 0.2785 0.8562 0.2417 0.047 Uiso 1 1 d R U . . .
H53A H 0.2574 0.8876 0.2012 0.047 Uiso 1 1 d R U . . .
O54 O 0.0326(2) 0.2596(7) -0.2227(3) 0.0374(10) Uani 1 1 d . . . . .
H54A H 0.0182 0.2455 -0.1921 0.045 Uiso 1 1 d R U . . .
H54B H 0.0273 0.2136 -0.2526 0.045 Uiso 1 1 d R U . . .
O55 O 0.0793(2) 0.3906(7) -0.3749(3) 0.0374(10) Uani 1 1 d . U . . .
H55B H 0.0633 0.4311 -0.3738 0.045 Uiso 1 1 d R U . . .
H55A H 0.0730 0.3328 -0.3638 0.045 Uiso 1 1 d R U . . .
O56 O 0.1618(2) 0.2367(7) -0.1480(3) 0.0388(11) Uani 1 1 d . . . . .
H56A H 0.1748 0.1757 -0.1568 0.047 Uiso 1 1 d R U . . .
H56B H 0.1618 0.2480 -0.1086 0.047 Uiso 1 1 d R U . . .
O58 O 0.0240(3) 0.3976(10) 0.2089(5) 0.0374(10) Uani 0.625(8) 1 d . . P A 1
O58' O 0.0280(6) 0.4563(17) 0.1564(8) 0.0374(10) Uani 0.375(8) 1 d . . P A 2
O59 O 0.2028(3) 0.6039(11) -0.2296(6) 0.0388(11) Uani 0.625(8) 1 d . . P A 1
O59' O 0.1819(6) 0.5703(18) -0.2520(9) 0.0388(11) Uani 0.375(8) 1 d . U P A 2
C1 C 0.1351(2) 0.7141(6) 0.2585(3) 0.0057(17) Uani 1 1 d . . . . .
C2 C 0.1444(2) 0.6243(7) 0.2938(3) 0.0097(18) Uani 1 1 d . . . . .
H2A H 0.1659 0.6385 0.3098 0.012 Uiso 1 1 calc R U . . .
H2B H 0.1468 0.5639 0.2704 0.012 Uiso 1 1 calc R U . . .
C3 C 0.1211(2) 0.5977(7) 0.3394(3) 0.0088(17) Uani 1 1 d . . . . .
C4 C 0.1387(2) 0.5170(6) 0.3745(3) 0.0072(17) Uani 1 1 d . . . . .
H4A H 0.1478 0.4640 0.3506 0.009 Uiso 1 1 calc R U . . .
H4B H 0.1570 0.5500 0.3935 0.009 Uiso 1 1 calc R U . . .
C5 C 0.1167(2) 0.4672(6) 0.4157(3) 0.0069(17) Uani 1 1 d . U . . .
C6 C 0.0899(2) 0.5463(7) 0.3174(3) 0.0096(18) Uani 1 1 d . . . . .
C7 C 0.1678(2) 0.7520(7) 0.0000(3) 0.0074(17) Uani 1 1 d . U . . .
C8 C 0.1515(2) 0.6521(6) -0.0205(3) 0.0062(17) Uani 1 1 d . . . . .
C9 C 0.1409(2) 0.5809(6) 0.0252(3) 0.0064(17) Uani 1 1 d . U . . .
H9A H 0.1351 0.5142 0.0096 0.008 Uiso 1 1 calc R U . . .
H9B H 0.1595 0.5703 0.0499 0.008 Uiso 1 1 calc R U . . .
C10 C 0.1125(2) 0.6204(6) 0.0574(3) 0.0065(17) Uani 1 1 d . U . . .
C11 C 0.0103(2) 0.8413(7) -0.0690(3) 0.0081(17) Uani 1 1 d . U . . .
H11A H -0.0082 0.8650 -0.0469 0.010 Uiso 1 1 calc R U . . .
H11B H 0.0202 0.9015 -0.0863 0.010 Uiso 1 1 calc R U . . .
C12 C 0.03538(19) 0.7904(6) -0.0322(3) 0.0043(16) Uani 1 1 d . U . . .
C13 C 0.0414(2) 0.8628(6) 0.0160(3) 0.0067(17) Uani 1 1 d . . . . .
H13A H 0.0455 0.9319 0.0019 0.008 Uiso 1 1 calc R U . . .
H13B H 0.0214 0.8659 0.0381 0.008 Uiso 1 1 calc R U . . .
C14 C 0.0696(2) 0.8326(7) 0.0526(3) 0.0095(18) Uani 1 1 d . . . . .
C15 C 0.2869(2) 0.3045(7) -0.0285(3) 0.0079(17) Uani 1 1 d . U . . .
C16 C 0.3017(2) 0.3886(7) 0.0060(3) 0.0098(18) Uani 1 1 d . . . . .
H16A H 0.3059 0.4482 -0.0173 0.012 Uiso 1 1 calc R U . . .
H16B H 0.3228 0.3647 0.0200 0.012 Uiso 1 1 calc R U . . .
C17 C 0.2516(2) 0.4902(7) 0.0370(3) 0.0099(18) Uani 1 1 d . U . . .
C18 C 0.1725(2) 0.2512(8) 0.1987(3) 0.016(2) Uani 1 1 d . U . . .
C19 C 0.2312(2) 0.3554(7) 0.2691(4) 0.015(2) Uani 1 1 d . U . . .
C20 C 0.0770(2) 0.4102(7) -0.0853(3) 0.0076(17) Uani 1 1 d . . . . .
C21 C 0.0583(2) 0.4573(7) -0.1312(3) 0.0086(17) Uani 1 1 d . U . . .
H21A H 0.0382 0.4883 -0.1167 0.010 Uiso 1 1 calc R U . . .
H21B H 0.0518 0.4031 -0.1567 0.010 Uiso 1 1 calc R U . . .
C22 C 0.0776(2) 0.5399(6) -0.1627(3) 0.0067(17) Uani 1 1 d . U . . .
C23 C 0.0578(2) 0.5633(6) -0.2134(3) 0.0070(17) Uani 1 1 d . U . . .
H23A H 0.0579 0.5021 -0.2366 0.008 Uiso 1 1 calc R U . . .
H23B H 0.0351 0.5754 -0.2024 0.008 Uiso 1 1 calc R U . . .
C24 C 0.1109(2) 0.4913(6) -0.1781(3) 0.0060(17) Uani 1 1 d . U . . .
C25 C 0.0193(2) 0.6889(7) -0.0136(3) 0.0083(16) Uani 1 1 d . U . . .
C26 C -0.0022(2) 0.7693(7) -0.1127(3) 0.0110(18) Uani 1 1 d . . . . .
C27 C 0.1782(2) 0.5949(7) -0.0530(3) 0.0080(17) Uani 1 1 d . . . . .
H27A H 0.1944 0.5654 -0.0280 0.010 Uiso 1 1 calc R U . . .
H27B H 0.1684 0.5390 -0.0741 0.010 Uiso 1 1 calc R U . . .
C28 C 0.1946(2) 0.6705(7) -0.0907(3) 0.0079(17) Uani 1 1 d . . . . .
C29 C 0.2806(2) 0.4227(7) 0.0540(4) 0.0101(18) Uani 1 1 d . . . . .
C30 C 0.3033(2) 0.4921(7) 0.0879(4) 0.016(2) Uani 1 1 d . . . . .
H30A H 0.3218 0.4507 0.1006 0.020 Uiso 1 1 calc R U . . .
H30B H 0.3121 0.5455 0.0640 0.020 Uiso 1 1 calc R U . . .
C31 C 0.2881(3) 0.5433(8) 0.1365(4) 0.024(2) Uani 1 1 d . . . . .
C32 C 0.1941(2) 0.3429(7) 0.1845(3) 0.0127(19) Uani 1 1 d . . . . .
C33 C 0.2039(2) 0.4018(7) 0.2361(4) 0.0143(19) Uani 1 1 d . U . . .
H33A H 0.2103 0.4714 0.2255 0.017 Uiso 1 1 calc R U . . .
H33B H 0.1845 0.4078 0.2595 0.017 Uiso 1 1 calc R U . . .
C34 C 0.1548(2) 0.3663(7) 0.1049(3) 0.0116(19) Uani 1 1 d . . . . .
C35 C 0.0687(2) 0.6518(6) -0.2467(3) 0.0065(17) Uani 1 1 d . U . . .
C36 C 0.1739(2) 0.4192(8) 0.1498(4) 0.016(2) Uani 1 1 d . . . . .
H36A H 0.1587 0.4561 0.1736 0.019 Uiso 1 1 calc R U . . .
H36B H 0.1888 0.4696 0.1335 0.019 Uiso 1 1 calc R U . . .
O57 O 0.0811(2) 0.2196(7) -0.3021(3) 0.0388(11) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 O4 2.024(6) . ?
Ni1 O29 2.039(6) . ?
Ni1 O33 2.066(6) . ?
Ni1 O2 2.067(6) . ?
Ni1 O32 2.101(6) . ?
Ni1 O3 2.109(6) . ?
Ni1 K4 3.555(2) . ?
Ni2 O31 2.011(6) . ?
Ni2 O41 2.022(6) . ?
Ni2 O1 2.032(6) 7_575 ?
Ni2 O4 2.082(6) . ?
Ni2 O30 2.082(6) 7_575 ?
Ni2 O2 2.105(6) . ?
Ni3 O16 2.047(6) 7_565 ?
Ni3 O14 2.052(6) . ?
Ni3 O17 2.067(6) . ?
Ni3 O18 2.067(6) . ?
Ni3 O37 2.072(6) . ?
Ni3 O15 2.081(6) . ?
Ni4 O24 2.036(6) . ?
Ni4 O25 2.049(6) . ?
Ni4 O26 2.059(6) 2 ?
Ni4 O23 2.061(6) 2 ?
Ni4 O22 2.071(6) . ?
Ni4 O26 2.107(6) . ?
Ni4 Ni4 2.999(2) 2 ?
Ni5 O34 2.018(6) 7_575 ?
Ni5 O35 2.044(6) . ?
Ni5 O36 2.050(6) . ?
Ni5 O4 2.072(6) . ?
Ni5 O3 2.079(6) . ?
Ni5 O1 2.097(6) 7_575 ?
Ni6 O6 2.023(6) . ?
Ni6 O2 2.035(6) . ?
Ni6 O7 2.055(7) 7_575 ?
Ni6 O5 2.078(6) . ?
Ni6 O3 2.082(6) . ?
Ni6 O1 2.089(6) 7_575 ?
Ni7 O28 2.021(8) 2 ?
Ni7 O22 2.033(6) 2 ?
Ni7 O27 2.048(6) . ?
Ni7 O26 2.070(6) 2 ?
Ni7 O39 2.089(6) 2 ?
Ni7 O22 2.109(6) . ?
Ni7 Ni7 2.957(2) 2 ?
Ni7 K3 3.860(2) 7_566 ?
Ni8 O19 2.023(7) 7_565 ?
Ni8 O19 2.023(7) 8_655 ?
Ni8 O20 2.058(6) . ?
Ni8 O20 2.058(7) 2 ?
Ni8 O21 2.142(7) 2 ?
Ni8 O21 2.142(7) . ?
Ni8 K3 3.931(2) . ?
Ni8 K3 3.931(2) 2 ?
Ni9 O10 2.052(6) . ?
Ni9 O9 2.053(6) . ?
Ni9 O12 2.058(6) 7_576 ?
Ni9 O13 2.069(7) . ?
Ni9 O11 2.075(7) . ?
Ni9 O8 2.076(7) . ?
Ni9 K5 3.610(3) 2_565 ?
Ni9 K6 3.733(4) . ?
Ni9 K7 4.003(4) 7_576 ?
K1 O52 2.390(10) . ?
K1 O43 2.401(6) 2_565 ?
K1 O43 2.401(6) . ?
K1 O44 2.423(7) 2_565 ?
K1 O44 2.423(7) . ?
K1 O45 2.490(6) 2_565 ?
K1 O45 2.490(6) . ?
K1 C7 3.394(8) . ?
K1 C7 3.394(8) 2_565 ?
K1 C28 3.419(8) . ?
K1 C28 3.419(8) 2_565 ?
K1 C17 3.526(9) . ?
K1 H52B 2.8014 . ?
K2 O40 2.634(7) . ?
K2 O48 2.670(7) 7_565 ?
K2 O56 2.679(9) . ?
K2 O38 2.888(7) 7_565 ?
K2 O16 2.903(6) 7_565 ?
K2 O17 2.932(6) . ?
K2 O57 2.935(9) . ?
K2 O54 3.011(9) . ?
K2 C24 3.520(9) . ?
K2 K3 4.075(3) . ?
K2 K6 4.216(4) 7_565 ?
K2 K7 4.443(4) . ?
K3 O59' 2.49(2) . ?
K3 O21 2.690(7) . ?
K3 O56 2.736(9) . ?
K3 O41 2.760(6) . ?
K3 O39 2.769(7) 8_655 ?
K3 O27 2.831(6) 7_565 ?
K3 O59 2.837(14) . ?
K3 O40 2.950(7) . ?
K3 C18 3.186(10) 7_565 ?
K3 C24 3.220(8) . ?
K3 O38 3.298(8) 7_565 ?
K3 K7 3.639(4) . ?
K3 H21C 3.0851 . ?
K3 H21D 3.0865 . ?
K4 O33 2.698(6) . ?
K4 O58' 2.74(2) . ?
K4 O18 2.767(7) . ?
K4 O32 2.813(6) . ?
K4 O47 2.920(7) 5_565 ?
K4 O50' 2.93(2) . ?
K4 O33 2.995(6) 5_565 ?
K4 O46 3.051(8) 5_565 ?
K4 O29 3.158(6) . ?
K4 C25 3.219(9) 5_565 ?
K4 C25 3.376(9) . ?
K5 O49 2.591(8) . ?
K5 O9 2.739(7) 2_565 ?
K5 O45 2.747(6) 2_565 ?
K5 O53 2.788(9) . ?
K5 O13 2.833(8) 2_565 ?
K5 O52 3.091(4) . ?
K5 O11 3.113(7) 2_565 ?
K5 C9 3.483(9) 2_565 ?
K5 C7 3.500(9) 2_565 ?
K5 C10 3.538(9) 2_565 ?
K5 Ni9 3.609(3) 2_565 ?
K6 O8 2.575(8) . ?
K6 O48 2.663(7) . ?
K6 O42 2.672(7) . ?
K6 O57 2.684(10) 7_566 ?
K6 O58' 2.78(2) . ?
K6 O58 3.126(14) . ?
K6 O9 3.165(8) . ?
K6 O13 3.318(8) . ?
K6 C34 3.489(9) . ?
K6 C6 3.502(9) . ?
K6 C36 3.505(10) . ?
K6 H8A 2.9810 . ?
K6 H8B 2.9818 . ?
K7 O55 2.612(9) . ?
K7 O40 2.636(7) . ?
K7 O11 2.809(7) 7_575 ?
K7 O27 2.865(8) 7_565 ?
K7 O12 3.075(7) . ?
K7 O59' 3.14(2) . ?
K7 O38 3.198(9) 7_565 ?
K7 C18 3.388(11) 7_565 ?
K7 C24 3.418(9) . ?
K7 Ni9 4.003(4) 7_575 ?
K7 H55B 3.0041 . ?
K7 H55A 3.0088 . ?
K8 K8 1.901(16) 2_565 ?
K8 O51 2.685(12) . ?
K8 O44 2.734(10) . ?
K8 O44 2.740(10) 2_565 ?
K8 O31 3.010(10) . ?
K8 O53 3.015(12) 8_655 ?
K8 O59 3.048(17) 2_565 ?
K8 C28 3.255(12) . ?
K8 C28 3.370(11) 2_565 ?
K8 K3 5.029(8) 2_565 ?
K8' K8' 2.56(3) 2_565 ?
K8' O51 2.653(16) . ?
K8' O53 2.838(16) 8_655 ?
K8' O31 2.854(15) . ?
K8' O44 2.866(15) . ?
K8' O44 3.086(15) 2_565 ?
K8' C28 3.250(16) . ?
O1 C3 1.404(10) . ?
O1 Ni2 2.032(6) 7_576 ?
O1 Ni6 2.089(6) 7_576 ?
O1 Ni5 2.097(6) 7_576 ?
O2 C22 1.400(10) . ?
O3 C12 1.407(10) . ?
O4 C8 1.415(10) . ?
O5 C35 1.269(10) . ?
O6 C26 1.247(11) . ?
O7 C6 1.273(11) . ?
O7 Ni6 2.055(7) 7_576 ?
O8 H8A 0.8504 . ?
O8 H8B 0.8501 . ?
O9 C10 1.254(10) . ?
O9 K5 2.739(7) 2_565 ?
O10 C14 1.268(11) . ?
O11 K7 2.809(7) 7_576 ?
O11 K5 3.113(7) 2_565 ?
O11 H11C 0.8507 . ?
O11 H11D 0.8502 . ?
O12 C35 1.257(10) . ?
O12 Ni9 2.058(6) 7_575 ?
O13 C1 1.245(10) . ?
O13 K5 2.833(8) 2_565 ?
O14 H14B 0.8501 . ?
O14 H14A 0.8499 . ?
O15 H15B 0.9600 . ?
O15 H15A 0.8500 . ?
O16 C5 1.264(10) . ?
O16 Ni3 2.047(6) 7_566 ?
O16 K2 2.903(6) 7_566 ?
O17 C20 1.259(11) . ?
O19 C19 1.270(12) . ?
O19 Ni8 2.023(7) 7_566 ?
O20 C15 1.271(10) . ?
O21 H21C 0.8499 . ?
O21 H21D 0.8501 . ?
O22 C32 1.416(10) . ?
O22 Ni7 2.033(6) 2 ?
O23 C15 1.252(11) . ?
O23 Ni4 2.061(6) 2 ?
O24 C17 1.280(11) . ?
O25 C34 1.258(11) . ?
O26 C29 1.411(11) . ?
O26 Ni4 2.059(6) 2 ?
O26 Ni7 2.070(6) 2 ?
O27 C18 1.274(12) . ?
O27 K3 2.830(6) 7_566 ?
O27 K7 2.865(8) 7_566 ?
O28 C31 1.258(14) . ?
O28 Ni7 2.021(8) 2 ?
O29 C20 1.258(10) . ?
O30 C1 1.267(10) . ?
O30 Ni2 2.082(6) 7_576 ?
O31 C28 1.281(10) . ?
O32 C10 1.258(10) . ?
O33 C25 1.278(11) . ?
O33 K4 2.995(6) 5_565 ?
O34 C5 1.264(10) . ?
O34 Ni5 2.018(6) 7_576 ?
O35 C7 1.268(11) . ?
O36 C14 1.257(10) . ?
O37 H37B 0.8499 . ?
O37 H37A 0.8506 . ?
O38 C18 1.249(11) . ?
O38 K2 2.888(7) 7_566 ?
O38 K7 3.198(9) 7_566 ?
O38 K3 3.298(8) 7_566 ?
O39 C19 1.248(11) . ?
O39 Ni7 2.089(6) 2 ?
O39 K3 2.769(7) 8_656 ?
O40 C24 1.251(10) . ?
O41 C24 1.267(10) . ?
O42 C34 1.256(11) . ?
O43 C17 1.255(11) . ?
O44 C28 1.248(10) . ?
O44 K8 2.740(10) 2_565 ?
O44 K8' 3.086(15) 2_565 ?
O45 C7 1.248(10) . ?
O45 K5 2.747(6) 2_565 ?
O46 C26 1.263(11) . ?
O46 K4 3.051(8) 5_565 ?
O47 C25 1.249(10) . ?
O47 K4 2.920(7) 5_565 ?
O48 C6 1.244(11) . ?
O48 K2 2.670(7) 7_566 ?
O49 C31 1.245(13) . ?
O52 K5 3.091(4) 2_565 ?
O52 H52B 0.8498 . ?
O53 K8' 2.837(16) 8_656 ?
O53 K8 3.015(12) 8_656 ?
O53 H53B 0.8502 . ?
O53 H53A 0.8501 . ?
O54 H54A 0.9802 . ?
O54 H54B 0.9802 . ?
O55 H55B 0.8503 . ?
O55 H55A 0.8500 . ?
O56 H56A 0.9900 . ?
O56 H56B 0.9902 . ?
O59 K8 3.048(17) 2_565 ?
C1 C2 1.521(11) . ?
C2 C3 1.526(11) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.553(12) . ?
C3 C6 1.553(12) . ?
C4 C5 1.518(11) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C7 C8 1.563(12) . ?
C7 K5 3.500(9) 2_565 ?
C8 C9 1.534(11) . ?
C8 C27 1.560(11) . ?
C9 C10 1.512(11) . ?
C9 K5 3.484(9) 2_565 ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 K5 3.538(9) 2_565 ?
C11 C26 1.528(12) . ?
C11 C12 1.535(11) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.550(11) . ?
C12 C25 1.562(11) . ?
C13 C14 1.528(12) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C15 C16 1.527(12) . ?
C16 C29 1.540(12) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C29 1.549(12) . ?
C18 C32 1.541(14) . ?
C18 K3 3.186(10) 7_566 ?
C18 K7 3.388(11) 7_566 ?
C19 C33 1.523(13) . ?
C20 C21 1.510(12) . ?
C21 C22 1.559(12) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.531(11) . ?
C22 C24 1.564(11) . ?
C23 C35 1.499(11) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C25 K4 3.219(9) 5_565 ?
C27 C28 1.524(12) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 K8 3.370(11) 2_565 ?
C29 C30 1.556(12) . ?
C30 C31 1.516(14) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C32 C33 1.549(12) . ?
C32 C36 1.561(12) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C36 1.532(12) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
O57 K6 2.684(10) 7_565 ?

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
_geom_angle_publ_flag
O4 Ni1 O29 102.8(2) . . ?
O4 Ni1 O33 161.2(2) . . ?
O29 Ni1 O33 94.8(2) . . ?
O4 Ni1 O2 81.5(2) . . ?
O29 Ni1 O2 92.4(2) . . ?
O33 Ni1 O2 104.7(2) . . ?
O4 Ni1 O32 89.0(2) . . ?
O29 Ni1 O32 89.3(2) . . ?
O33 Ni1 O32 84.5(2) . . ?
O2 Ni1 O32 170.5(2) . . ?
O4 Ni1 O3 85.0(2) . . ?
O29 Ni1 O3 168.1(2) . . ?
O33 Ni1 O3 78.8(2) . . ?
O2 Ni1 O3 79.7(2) . . ?
O32 Ni1 O3 99.9(2) . . ?
O4 Ni1 K4 135.78(17) . . ?
O29 Ni1 K4 61.93(17) . . ?
O33 Ni1 K4 49.06(16) . . ?
O2 Ni1 K4 136.15(17) . . ?
O32 Ni1 K4 52.30(16) . . ?
O3 Ni1 K4 118.39(16) . . ?
O31 Ni2 O41 95.3(2) . . ?
O31 Ni2 O1 101.3(2) . 7_575 ?
O41 Ni2 O1 162.2(2) . 7_575 ?
O31 Ni2 O4 92.7(2) . . ?
O41 Ni2 O4 104.2(2) . . ?
O1 Ni2 O4 81.5(2) 7_575 . ?
O31 Ni2 O30 89.4(2) . 7_575 ?
O41 Ni2 O30 85.4(2) . 7_575 ?
O1 Ni2 O30 88.4(2) 7_575 7_575 ?
O4 Ni2 O30 169.9(2) . 7_575 ?
O31 Ni2 O2 169.2(2) . . ?
O41 Ni2 O2 79.8(2) . . ?
O1 Ni2 O2 84.8(2) 7_575 . ?
O4 Ni2 O2 79.3(2) . . ?
O30 Ni2 O2 99.8(2) 7_575 . ?
O16 Ni3 O14 94.8(2) 7_565 . ?
O16 Ni3 O17 86.3(2) 7_565 . ?
O14 Ni3 O17 87.5(3) . . ?
O16 Ni3 O18 175.5(3) 7_565 . ?
O14 Ni3 O18 87.6(3) . . ?
O17 Ni3 O18 97.7(2) . . ?
O16 Ni3 O37 88.8(2) 7_565 . ?
O14 Ni3 O37 173.1(3) . . ?
O17 Ni3 O37 86.8(3) . . ?
O18 Ni3 O37 89.3(3) . . ?
O16 Ni3 O15 88.9(2) 7_565 . ?
O14 Ni3 O15 93.2(3) . . ?
O17 Ni3 O15 175.1(2) . . ?
O18 Ni3 O15 87.1(2) . . ?
O37 Ni3 O15 92.8(3) . . ?
O24 Ni4 O25 94.2(3) . . ?
O24 Ni4 O26 162.3(2) . 2 ?
O25 Ni4 O26 102.7(2) . 2 ?
O24 Ni4 O23 86.9(2) . 2 ?
O25 Ni4 O23 86.7(2) . 2 ?
O26 Ni4 O23 88.7(2) 2 2 ?
O24 Ni4 O22 104.8(2) . . ?
O25 Ni4 O22 92.1(2) . . ?
O26 Ni4 O22 80.3(2) 2 . ?
O23 Ni4 O22 168.3(2) 2 . ?
O24 Ni4 O26 78.9(2) . . ?
O25 Ni4 O26 167.5(2) . . ?
O26 Ni4 O26 85.5(2) 2 . ?
O23 Ni4 O26 103.2(2) 2 . ?
O22 Ni4 O26 79.8(2) . . ?
O24 Ni4 Ni4 117.99(18) . 2 ?
O25 Ni4 Ni4 146.77(19) . 2 ?
O26 Ni4 Ni4 44.58(16) 2 2 ?
O23 Ni4 Ni4 86.91(17) 2 2 ?
O22 Ni4 Ni4 87.77(16) . 2 ?
O26 Ni4 Ni4 43.32(16) . 2 ?
O34 Ni5 O35 96.2(2) 7_575 . ?
O34 Ni5 O36 86.9(2) 7_575 . ?
O35 Ni5 O36 83.5(2) . . ?
O34 Ni5 O4 168.1(2) 7_575 . ?
O35 Ni5 O4 79.7(2) . . ?
O36 Ni5 O4 103.6(2) . . ?
O34 Ni5 O3 101.6(2) 7_575 . ?
O35 Ni5 O3 159.9(2) . . ?
O36 Ni5 O3 88.2(2) . . ?
O4 Ni5 O3 84.6(2) . . ?
O34 Ni5 O1 90.6(2) 7_575 7_575 ?
O35 Ni5 O1 108.3(2) . 7_575 ?
O36 Ni5 O1 168.1(2) . 7_575 ?
O4 Ni5 O1 80.2(2) . 7_575 ?
O3 Ni5 O1 80.9(2) . 7_575 ?
O6 Ni6 O2 101.1(3) . . ?
O6 Ni6 O7 96.4(3) . 7_575 ?
O2 Ni6 O7 160.6(2) . 7_575 ?
O6 Ni6 O5 87.1(2) . . ?
O2 Ni6 O5 88.8(2) . . ?
O7 Ni6 O5 83.8(2) 7_575 . ?
O6 Ni6 O3 92.2(2) . . ?
O2 Ni6 O3 81.1(2) . . ?
O7 Ni6 O3 106.6(2) 7_575 . ?
O5 Ni6 O3 169.6(2) . . ?
O6 Ni6 O1 170.1(2) . 7_575 ?
O2 Ni6 O1 85.1(2) . 7_575 ?
O7 Ni6 O1 78.7(2) 7_575 7_575 ?
O5 Ni6 O1 100.9(2) . 7_575 ?
O3 Ni6 O1 81.0(2) . 7_575 ?
O28 Ni7 O22 100.4(3) 2 2 ?
O28 Ni7 O27 96.0(3) 2 . ?
O22 Ni7 O27 162.9(3) 2 . ?
O28 Ni7 O26 90.3(3) 2 2 ?
O22 Ni7 O26 81.5(2) 2 2 ?
O27 Ni7 O26 103.5(2) . 2 ?
O28 Ni7 O39 89.1(3) 2 2 ?
O22 Ni7 O39 88.3(2) 2 2 ?
O27 Ni7 O39 87.0(2) . 2 ?
O26 Ni7 O39 169.5(2) 2 2 ?
O28 Ni7 O22 166.5(3) 2 . ?
O22 Ni7 O22 86.5(2) 2 . ?
O27 Ni7 O22 78.6(2) . . ?
O26 Ni7 O22 79.1(2) 2 . ?
O39 Ni7 O22 102.8(2) 2 . ?
O28 Ni7 Ni7 145.6(2) 2 2 ?
O22 Ni7 Ni7 45.50(17) 2 2 ?
O27 Ni7 Ni7 117.7(2) . 2 ?
O26 Ni7 Ni7 88.15(17) 2 2 ?
O39 Ni7 Ni7 86.40(19) 2 2 ?
O22 Ni7 Ni7 43.43(16) . 2 ?
O28 Ni7 K3 81.70(19) 2 7_566 ?
O22 Ni7 K3 132.28(16) 2 7_566 ?
O27 Ni7 K3 45.49(17) . 7_566 ?
O26 Ni7 K3 146.12(17) 2 7_566 ?
O39 Ni7 K3 44.02(18) 2 7_566 ?
O22 Ni7 K3 102.39(16) . 7_566 ?
Ni7 Ni7 K3 116.51(4) 2 7_566 ?
O19 Ni8 O19 94.7(4) 7_565 8_655 ?
O19 Ni8 O20 175.8(3) 7_565 . ?
O19 Ni8 O20 81.4(2) 8_655 . ?
O19 Ni8 O20 81.4(2) 7_565 2 ?
O19 Ni8 O20 175.8(3) 8_655 2 ?
O20 Ni8 O20 102.5(3) . 2 ?
O19 Ni8 O21 92.7(3) 7_565 2 ?
O19 Ni8 O21 99.3(3) 8_655 2 ?
O20 Ni8 O21 86.5(3) . 2 ?
O20 Ni8 O21 82.5(3) 2 2 ?
O19 Ni8 O21 99.3(3) 7_565 . ?
O19 Ni8 O21 92.7(3) 8_655 . ?
O20 Ni8 O21 82.5(3) . . ?
O20 Ni8 O21 86.5(3) 2 . ?
O21 Ni8 O21 162.3(4) 2 . ?
O19 Ni8 K3 62.9(2) 7_565 . ?
O19 Ni8 K3 79.2(2) 8_655 . ?
O20 Ni8 K3 117.59(18) . . ?
O20 Ni8 K3 97.59(18) 2 . ?
O21 Ni8 K3 155.03(19) 2 . ?
O21 Ni8 K3 40.49(18) . . ?
O19 Ni8 K3 79.2(2) 7_565 2 ?
O19 Ni8 K3 62.9(2) 8_655 2 ?
O20 Ni8 K3 97.58(18) . 2 ?
O20 Ni8 K3 117.59(18) 2 2 ?
O21 Ni8 K3 40.49(18) 2 2 ?
O21 Ni8 K3 155.03(19) . 2 ?
K3 Ni8 K3 123.25(7) . 2 ?
O10 Ni9 O9 96.6(2) . . ?
O10 Ni9 O12 84.8(2) . 7_576 ?
O9 Ni9 O12 177.6(3) . 7_576 ?
O10 Ni9 O13 175.8(3) . . ?
O9 Ni9 O13 83.0(2) . . ?
O12 Ni9 O13 95.7(3) 7_576 . ?
O10 Ni9 O11 90.8(2) . . ?
O9 Ni9 O11 87.7(3) . . ?
O12 Ni9 O11 90.3(2) 7_576 . ?
O13 Ni9 O11 93.3(3) . . ?
O10 Ni9 O8 90.0(3) . . ?
O9 Ni9 O8 92.6(3) . . ?
O12 Ni9 O8 89.4(3) 7_576 . ?
O13 Ni9 O8 85.8(3) . . ?
O11 Ni9 O8 179.1(3) . . ?
O10 Ni9 K5 130.87(17) . 2_565 ?
O9 Ni9 K5 48.91(18) . 2_565 ?
O12 Ni9 K5 128.74(19) 7_576 2_565 ?
O13 Ni9 K5 51.6(2) . 2_565 ?
O11 Ni9 K5 59.32(19) . 2_565 ?
O8 Ni9 K5 120.3(2) . 2_565 ?
O10 Ni9 K6 114.13(19) . . ?
O9 Ni9 K6 57.95(19) . . ?
O12 Ni9 K6 123.24(18) 7_576 . ?
O13 Ni9 K6 62.2(2) . . ?
O11 Ni9 K6 138.29(19) . . ?
O8 Ni9 K6 41.5(2) . . ?
K5 Ni9 K6 79.45(8) 2_565 . ?
O10 Ni9 K7 91.08(18) . 7_576 ?
O9 Ni9 K7 128.8(2) . 7_576 ?
O12 Ni9 K7 49.05(18) 7_576 7_576 ?
O13 Ni9 K7 92.3(2) . 7_576 ?
O11 Ni9 K7 41.54(18) . 7_576 ?
O8 Ni9 K7 138.1(2) . 7_576 ?
K5 Ni9 K7 89.34(8) 2_565 7_576 ?
K6 Ni9 K7 153.86(9) . 7_576 ?
O52 K1 O43 85.27(16) . 2_565 ?
O52 K1 O43 85.27(16) . . ?
O43 K1 O43 170.5(3) 2_565 . ?
O52 K1 O44 147.41(15) . 2_565 ?
O43 K1 O44 82.6(2) 2_565 2_565 ?
O43 K1 O44 105.5(2) . 2_565 ?
O52 K1 O44 147.41(15) . . ?
O43 K1 O44 105.5(2) 2_565 . ?
O43 K1 O44 82.6(2) . . ?
O44 K1 O44 65.2(3) 2_565 . ?
O52 K1 O45 74.30(14) . 2_565 ?
O43 K1 O45 93.4(2) 2_565 2_565 ?
O43 K1 O45 84.0(2) . 2_565 ?
O44 K1 O45 76.3(2) 2_565 2_565 ?
O44 K1 O45 133.8(2) . 2_565 ?
O52 K1 O45 74.30(14) . . ?
O43 K1 O45 84.0(2) 2_565 . ?
O43 K1 O45 93.4(2) . . ?
O44 K1 O45 133.8(2) 2_565 . ?
O44 K1 O45 76.3(2) . . ?
O45 K1 O45 148.6(3) 2_565 . ?
O52 K1 C7 91.11(14) . . ?
O43 K1 C7 82.6(2) 2_565 . ?
O43 K1 C7 97.6(2) . . ?
O44 K1 C7 117.0(2) 2_565 . ?
O44 K1 C7 60.9(2) . . ?
O45 K1 C7 165.2(2) 2_565 . ?
O45 K1 C7 17.02(19) . . ?
O52 K1 C7 91.11(14) . 2_565 ?
O43 K1 C7 97.6(2) 2_565 2_565 ?
O43 K1 C7 82.6(2) . 2_565 ?
O44 K1 C7 60.9(2) 2_565 2_565 ?
O44 K1 C7 117.0(2) . 2_565 ?
O45 K1 C7 17.02(19) 2_565 2_565 ?
O45 K1 C7 165.2(2) . 2_565 ?
C7 K1 C7 177.8(3) . 2_565 ?
O52 K1 C28 132.63(14) . . ?
O43 K1 C28 106.0(2) 2_565 . ?
O43 K1 C28 80.5(2) . . ?
O44 K1 C28 79.9(2) 2_565 . ?
O44 K1 C28 15.0(2) . . ?
O45 K1 C28 147.0(2) 2_565 . ?
O45 K1 C28 61.86(19) . . ?
C7 K1 C28 47.19(19) . . ?
C7 K1 C28 130.8(2) 2_565 . ?
O52 K1 C28 132.63(14) . 2_565 ?
O43 K1 C28 80.5(2) 2_565 2_565 ?
O43 K1 C28 106.0(2) . 2_565 ?
O44 K1 C28 15.0(2) 2_565 2_565 ?
O44 K1 C28 79.9(2) . 2_565 ?
O45 K1 C28 61.85(19) 2_565 2_565 ?
O45 K1 C28 147.0(2) . 2_565 ?
C7 K1 C28 130.8(2) . 2_565 ?
C7 K1 C28 47.19(19) 2_565 2_565 ?
C28 K1 C28 94.7(3) . 2_565 ?
O52 K1 C17 76.04(14) . . ?
O43 K1 C17 160.4(2) 2_565 . ?
O43 K1 C17 11.0(2) . . ?
O44 K1 C17 116.5(2) 2_565 . ?
O44 K1 C17 87.8(2) . . ?
O45 K1 C17 87.3(2) 2_565 . ?
O45 K1 C17 85.2(2) . . ?
C7 K1 C17 91.8(2) . . ?
C7 K1 C17 88.7(2) 2_565 . ?
C28 K1 C17 83.1(2) . . ?
C28 K1 C17 116.6(2) 2_565 . ?
O52 K1 H52B 16.5 . . ?
O43 K1 H52B 72.6 2_565 . ?
O43 K1 H52B 98.1 . . ?
O44 K1 H52B 148.6 2_565 . ?
O44 K1 H52B 139.6 . . ?
O45 K1 H52B 86.0 2_565 . ?
O45 K1 H52B 63.3 . . ?
C7 K1 H52B 79.1 . . ?
C7 K1 H52B 103.0 2_565 . ?
C28 K1 H52B 124.9 . . ?
C28 K1 H52B 136.6 2_565 . ?
C17 K1 H52B 87.9 . . ?
O40 K2 O48 155.6(2) . 7_565 ?
O40 K2 O56 84.1(2) . . ?
O48 K2 O56 104.8(2) 7_565 . ?
O40 K2 O38 73.7(2) . 7_565 ?
O48 K2 O38 87.0(2) 7_565 7_565 ?
O56 K2 O38 73.4(2) . 7_565 ?
O40 K2 O16 126.24(19) . 7_565 ?
O48 K2 O16 77.21(18) 7_565 7_565 ?
O56 K2 O16 62.3(2) . 7_565 ?
O38 K2 O16 126.4(2) 7_565 7_565 ?
O40 K2 O17 80.69(19) . . ?
O48 K2 O17 122.0(2) 7_565 . ?
O56 K2 O17 85.8(2) . . ?
O38 K2 O17 148.2(2) 7_565 . ?
O16 K2 O17 57.63(17) 7_565 . ?
O40 K2 O57 82.5(2) . . ?
O48 K2 O57 74.3(2) 7_565 . ?
O56 K2 O57 129.3(3) . . ?
O38 K2 O57 55.9(2) 7_565 . ?
O16 K2 O57 151.2(2) 7_565 . ?
O17 K2 O57 138.9(2) . . ?
O40 K2 O54 86.4(2) . . ?
O48 K2 O54 87.3(2) 7_565 . ?
O56 K2 O54 167.2(3) . . ?
O38 K2 O54 112.0(2) 7_565 . ?
O16 K2 O54 117.9(2) 7_565 . ?
O17 K2 O54 84.3(2) . . ?
O57 K2 O54 57.4(2) . . ?
O40 K2 C24 16.66(19) . . ?
O48 K2 C24 171.9(2) 7_565 . ?
O56 K2 C24 79.7(2) . . ?
O38 K2 C24 87.9(2) 7_565 . ?
O16 K2 C24 110.85(18) 7_565 . ?
O17 K2 C24 64.49(18) . . ?
O57 K2 C24 97.7(2) . . ?
O54 K2 C24 88.7(2) . . ?
O40 K2 K3 46.27(15) . . ?
O48 K2 K3 130.30(17) 7_565 . ?
O56 K2 K3 41.73(19) . . ?
O38 K2 K3 53.29(15) 7_565 . ?
O16 K2 K3 101.57(13) 7_565 . ?
O17 K2 K3 95.30(13) . . ?
O57 K2 K3 99.61(18) . . ?
O54 K2 K3 131.54(18) . . ?
C24 K2 K3 49.51(14) . . ?
O40 K2 K6 117.94(16) . 7_565 ?
O48 K2 K6 37.70(14) 7_565 7_565 ?
O56 K2 K6 113.6(2) . 7_565 ?
O38 K2 K6 58.34(16) 7_565 7_565 ?
O16 K2 K6 113.80(14) 7_565 7_565 ?
O17 K2 K6 153.30(15) . 7_565 ?
O57 K2 K6 39.18(18) . 7_565 ?
O54 K2 K6 78.48(17) . 7_565 ?
C24 K2 K6 134.44(15) . 7_565 ?
K3 K2 K6 111.40(7) . 7_565 ?
O40 K2 K7 32.56(15) . . ?
O48 K2 K7 123.38(16) 7_565 . ?
O56 K2 K7 91.3(2) . . ?
O38 K2 K7 45.92(17) 7_565 . ?
O16 K2 K7 151.33(15) 7_565 . ?
O17 K2 K7 112.89(14) . . ?
O57 K2 K7 54.87(18) . . ?
O54 K2 K7 85.21(18) . . ?
C24 K2 K7 49.18(14) . . ?
K3 K2 K7 50.35(7) . . ?
K6 K2 K7 85.96(8) 7_565 . ?
O59' K3 O21 120.5(6) . . ?
O59' K3 O56 161.6(6) . . ?
O21 K3 O56 69.7(2) . . ?
O59' K3 O41 72.2(5) . . ?
O21 K3 O41 96.09(19) . . ?
O56 K3 O41 92.1(2) . . ?
O59' K3 O39 91.1(6) . 8_655 ?
O21 K3 O39 79.3(2) . 8_655 ?
O56 K3 O39 106.4(2) . 8_655 ?
O41 K3 O39 157.7(2) . 8_655 ?
O59' K3 O27 79.6(6) . 7_565 ?
O21 K3 O27 136.7(2) . 7_565 ?
O56 K3 O27 103.7(2) . 7_565 ?
O41 K3 O27 127.20(19) . 7_565 ?
O39 K3 O27 61.13(18) 8_655 7_565 ?
O21 K3 O59 97.8(3) . . ?
O56 K3 O59 162.2(3) . . ?
O41 K3 O59 76.5(3) . . ?
O39 K3 O59 82.5(3) 8_655 . ?
O27 K3 O59 94.1(3) 7_565 . ?
O59' K3 O40 84.6(6) . . ?
O21 K3 O40 128.2(2) . . ?
O56 K3 O40 77.4(2) . . ?
O41 K3 O40 45.68(17) . . ?
O39 K3 O40 149.82(19) 8_655 . ?
O27 K3 O40 88.74(18) 7_565 . ?
O59 K3 O40 102.8(3) . . ?
O59' K3 C18 101.7(6) . 7_565 ?
O21 K3 C18 127.2(2) . 7_565 ?
O56 K3 C18 80.2(3) . 7_565 ?
O41 K3 C18 128.1(2) . 7_565 ?
O39 K3 C18 68.8(2) 8_655 7_565 ?
O27 K3 C18 23.5(2) 7_565 7_565 ?
O59 K3 C18 117.6(3) . 7_565 ?
O40 K3 C18 82.8(2) . 7_565 ?
O59' K3 C24 77.2(6) . . ?
O21 K3 C24 113.3(2) . . ?
O56 K3 C24 84.6(2) . . ?
O41 K3 C24 22.84(19) . . ?
O39 K3 C24 165.9(2) 8_655 . ?
O27 K3 C24 108.3(2) 7_565 . ?
O59 K3 C24 89.4(3) . . ?
O40 K3 C24 22.85(19) . . ?
C18 K3 C24 105.4(2) 7_565 . ?
O59' K3 O38 109.2(6) . 7_565 ?
O21 K3 O38 129.1(2) . 7_565 ?
O56 K3 O38 66.2(2) . 7_565 ?
O41 K3 O38 109.37(18) . 7_565 ?
O39 K3 O38 89.82(19) 8_655 7_565 ?
O27 K3 O38 41.70(18) 7_565 7_565 ?
O59 K3 O38 130.2(3) . 7_565 ?
O40 K3 O38 63.83(18) . 7_565 ?
C18 K3 O38 22.1(2) 7_565 7_565 ?
C24 K3 O38 86.6(2) . 7_565 ?
O59' K3 K7 58.0(6) . . ?
O21 K3 K7 172.57(17) . . ?
O56 K3 K7 109.8(2) . . ?
O41 K3 K7 76.49(14) . . ?
O39 K3 K7 107.68(15) 8_655 . ?
O27 K3 K7 50.72(15) 7_565 . ?
O59 K3 K7 81.1(3) . . ?
O40 K3 K7 45.70(14) . . ?
C18 K3 K7 59.08(19) 7_565 . ?
C24 K3 K7 59.41(16) . . ?
O38 K3 K7 54.64(16) 7_565 . ?
O59' K3 H21C 105.5 . . ?
O21 K3 H21C 15.0 . . ?
O56 K3 H21C 84.3 . . ?
O41 K3 H21C 92.5 . . ?
O39 K3 H21C 77.4 8_655 . ?
O27 K3 H21C 138.4 7_565 . ?
O59 K3 H21C 82.7 . . ?
O40 K3 H21C 132.5 . . ?
C18 K3 H21C 136.6 7_565 . ?
C24 K3 H21C 113.1 . . ?
O38 K3 H21C 143.2 7_565 . ?
K7 K3 H21C 162.2 . . ?
O59' K3 H21D 125.9 . . ?
O21 K3 H21D 15.0 . . ?
O56 K3 H21D 60.0 . . ?
O41 K3 H21D 85.0 . . ?
O39 K3 H21D 93.4 8_655 . ?
O27 K3 H21D 146.1 7_565 . ?
O59 K3 H21D 104.9 . . ?
O40 K3 H21D 113.3 . . ?
C18 K3 H21D 130.0 7_565 . ?
C24 K3 H21D 99.9 . . ?
O38 K3 H21D 124.7 7_565 . ?
K7 K3 H21D 158.8 . . ?
H21C K3 H21D 25.8 . . ?
O33 K4 O58' 137.6(5) . . ?
O33 K4 O18 122.40(19) . . ?
O58' K4 O18 97.1(5) . . ?
O33 K4 O32 61.06(17) . . ?
O58' K4 O32 103.3(5) . . ?
O18 K4 O32 96.40(19) . . ?
O33 K4 O47 92.76(18) . 5_565 ?
O58' K4 O47 115.5(5) . 5_565 ?
O18 K4 O47 71.98(19) . 5_565 ?
O32 K4 O47 140.45(18) . 5_565 ?
O33 K4 O50' 87.0(5) . . ?
O58' K4 O50' 50.7(7) . . ?
O18 K4 O50' 143.2(5) . . ?
O32 K4 O50' 78.0(5) . . ?
O47 K4 O50' 133.3(5) 5_565 . ?
O33 K4 O33 91.62(17) . 5_565 ?
O58' K4 O33 88.7(5) . 5_565 ?
O18 K4 O33 109.38(19) . 5_565 ?
O32 K4 O33 150.11(18) . 5_565 ?
O47 K4 O33 43.90(16) 5_565 5_565 ?
O50' K4 O33 89.4(5) . 5_565 ?
O33 K4 O46 159.79(19) . 5_565 ?
O58' K4 O46 56.6(5) . 5_565 ?
O18 K4 O46 55.09(19) . 5_565 ?
O32 K4 O46 136.67(19) . 5_565 ?
O47 K4 O46 67.14(18) 5_565 5_565 ?
O50' K4 O46 105.0(5) . 5_565 ?
O33 K4 O46 72.63(17) 5_565 5_565 ?
O33 K4 O29 61.56(17) . . ?
O58' K4 O29 146.6(5) . . ?
O18 K4 O29 61.79(17) . . ?
O32 K4 O29 58.01(16) . . ?
O47 K4 O29 84.04(17) 5_565 . ?
O50' K4 O29 134.0(5) . . ?
O33 K4 O29 121.70(17) 5_565 . ?
O46 K4 O29 115.72(19) 5_565 . ?
O33 K4 C25 99.8(2) . 5_565 ?
O58' K4 C25 97.0(5) . 5_565 ?
O18 K4 C25 86.6(2) . 5_565 ?
O32 K4 C25 158.9(2) . 5_565 ?
O47 K4 C25 22.82(19) 5_565 5_565 ?
O50' K4 C25 111.5(5) . 5_565 ?
O33 K4 C25 23.39(19) 5_565 5_565 ?
O46 K4 C25 60.9(2) 5_565 5_565 ?
O29 K4 C25 106.50(19) . 5_565 ?
O33 K4 C25 20.68(19) . . ?
O58' K4 C25 117.0(5) . . ?
O18 K4 C25 141.1(2) . . ?
O32 K4 C25 59.52(19) . . ?
O47 K4 C25 106.1(2) 5_565 . ?
O50' K4 C25 66.3(5) . . ?
O33 K4 C25 90.61(19) 5_565 . ?
O46 K4 C25 161.6(2) 5_565 . ?
O29 K4 C25 79.33(18) . . ?
C25 K4 C25 105.94(19) 5_565 . ?
O33 K4 Ni1 35.34(12) . . ?
O58' K4 Ni1 139.0(5) . . ?
O18 K4 Ni1 94.56(14) . . ?
O32 K4 Ni1 36.22(12) . . ?
O47 K4 Ni1 105.52(13) 5_565 . ?
O50' K4 Ni1 100.8(5) . . ?
O33 K4 Ni1 123.79(13) 5_565 . ?
O46 K4 Ni1 149.64(15) 5_565 . ?
O29 K4 Ni1 34.74(11) . . ?
C25 K4 Ni1 122.85(16) 5_565 . ?
C25 K4 Ni1 47.50(15) . . ?
O49 K5 O9 120.6(3) . 2_565 ?
O49 K5 O45 80.0(2) . 2_565 ?
O9 K5 O45 85.98(19) 2_565 2_565 ?
O49 K5 O53 77.7(3) . . ?
O9 K5 O53 148.5(2) 2_565 . ?
O45 K5 O53 124.3(2) 2_565 . ?
O49 K5 O13 97.0(3) . 2_565 ?
O9 K5 O13 58.70(19) 2_565 2_565 ?
O45 K5 O13 137.2(2) 2_565 2_565 ?
O53 K5 O13 95.9(2) . 2_565 ?
O49 K5 O52 58.8(2) . . ?
O9 K5 O52 146.3(2) 2_565 . ?
O45 K5 O52 60.3(2) 2_565 . ?
O53 K5 O52 64.4(2) . . ?
O13 K5 O52 150.5(2) 2_565 . ?
O49 K5 O11 62.8(3) . 2_565 ?
O9 K5 O11 58.08(18) 2_565 2_565 ?
O45 K5 O11 81.03(19) 2_565 2_565 ?
O53 K5 O11 128.7(2) . 2_565 ?
O13 K5 O11 60.69(19) 2_565 2_565 ?
O52 K5 O11 113.29(15) . 2_565 ?
O49 K5 C9 129.8(3) . 2_565 ?
O9 K5 C9 42.49(19) 2_565 2_565 ?
O45 K5 C9 56.09(19) 2_565 2_565 ?
O53 K5 C9 145.5(3) . 2_565 ?
O13 K5 C9 99.9(2) 2_565 2_565 ?
O52 K5 C9 108.7(2) . 2_565 ?
O11 K5 C9 85.65(19) 2_565 2_565 ?
O49 K5 C7 87.5(2) . 2_565 ?
O9 K5 C7 67.8(2) 2_565 2_565 ?
O45 K5 C7 18.47(18) 2_565 2_565 ?
O53 K5 C7 142.8(2) . 2_565 ?
O13 K5 C7 119.9(2) 2_565 2_565 ?
O52 K5 C7 78.7(2) . 2_565 ?
O11 K5 C7 69.33(19) 2_565 2_565 ?
C9 K5 C7 43.5(2) 2_565 2_565 ?
O49 K5 C10 125.0(3) . 2_565 ?
O9 K5 C10 17.86(19) 2_565 2_565 ?
O45 K5 C10 71.32(18) 2_565 2_565 ?
O53 K5 C10 156.4(2) . 2_565 ?
O13 K5 C10 76.4(2) 2_565 2_565 ?
O52 K5 C10 130.2(2) . 2_565 ?
O11 K5 C10 67.08(19) 2_565 2_565 ?
C9 K5 C10 24.85(19) 2_565 2_565 ?
C7 K5 C10 54.09(19) 2_565 2_565 ?
O49 K5 Ni9 93.7(2) . 2_565 ?
O9 K5 Ni9 34.39(13) 2_565 2_565 ?
O45 K5 Ni9 102.38(15) 2_565 2_565 ?
O53 K5 Ni9 129.3(2) . 2_565 ?
O13 K5 Ni9 34.91(14) 2_565 2_565 ?
O52 K5 Ni9 148.26(11) . 2_565 ?
O11 K5 Ni9 34.97(13) 2_565 2_565 ?
C9 K5 Ni9 75.54(15) 2_565 2_565 ?
C7 K5 Ni9 85.11(15) 2_565 2_565 ?
C10 K5 Ni9 50.86(14) 2_565 2_565 ?
O49 K5 K1 73.26(19) . . ?
O9 K5 K1 115.42(15) 2_565 . ?
O45 K5 K1 30.70(13) 2_565 . ?
O53 K5 K1 93.74(19) . . ?
O13 K5 K1 164.50(17) 2_565 . ?
O52 K5 K1 31.18(17) . . ?
O11 K5 K1 103.83(13) 2_565 . ?
C9 K5 K1 78.52(14) 2_565 . ?
C7 K5 K1 49.09(14) 2_565 . ?
C10 K5 K1 99.06(15) 2_565 . ?
Ni9 K5 K1 131.86(8) 2_565 . ?
O8 K6 O48 90.3(2) . . ?
O8 K6 O42 132.0(3) . . ?
O48 K6 O42 135.5(2) . . ?
O8 K6 O57 140.3(3) . 7_566 ?
O48 K6 O57 78.7(2) . 7_566 ?
O42 K6 O57 75.1(3) . 7_566 ?
O8 K6 O58' 69.6(5) . . ?
O48 K6 O58' 102.3(5) . . ?
O42 K6 O58' 105.2(5) . . ?
O57 K6 O58' 75.7(5) 7_566 . ?
O8 K6 O58 82.7(3) . . ?
O48 K6 O58 76.3(3) . . ?
O42 K6 O58 116.4(3) . . ?
O57 K6 O58 57.7(3) 7_566 . ?
O8 K6 O9 61.6(2) . . ?
O48 K6 O9 129.3(2) . . ?
O42 K6 O9 75.2(2) . . ?
O57 K6 O9 149.3(2) 7_566 . ?
O58' K6 O9 105.1(5) . . ?
O58 K6 O9 132.9(3) . . ?
O8 K6 O13 55.5(2) . . ?
O48 K6 O13 79.6(2) . . ?
O42 K6 O13 110.7(2) . . ?
O57 K6 O13 152.9(3) 7_566 . ?
O58' K6 O13 125.1(5) . . ?
O58 K6 O13 131.1(3) . . ?
O9 K6 O13 49.78(17) . . ?
O8 K6 C34 136.5(3) . . ?
O48 K6 C34 121.7(2) . . ?
O42 K6 C34 18.0(2) . . ?
O57 K6 C34 79.1(3) 7_566 . ?
O58' K6 C34 122.9(5) . . ?
O58 K6 C34 129.9(3) . . ?
O9 K6 C34 75.0(2) . . ?
O13 K6 C34 98.9(2) . . ?
O8 K6 C6 74.1(2) . . ?
O48 K6 C6 17.3(2) . . ?
O42 K6 C6 148.0(2) . . ?
O57 K6 C6 95.2(2) 7_566 . ?
O58' K6 C6 101.6(5) . . ?
O58 K6 C6 80.6(3) . . ?
O9 K6 C6 114.2(2) . . ?
O13 K6 C6 65.55(19) . . ?
C34 K6 C6 131.2(2) . . ?
O8 K6 C36 129.9(3) . . ?
O48 K6 C36 102.4(2) . . ?
O42 K6 C36 43.2(2) . . ?
O57 K6 C36 89.9(3) 7_566 . ?
O58' K6 C36 148.2(5) . . ?
O58 K6 C36 147.4(3) . . ?
O9 K6 C36 73.5(2) . . ?
O13 K6 C36 79.1(2) . . ?
C34 K6 C36 25.3(2) . . ?
C6 K6 C36 107.9(2) . . ?
O8 K6 Ni9 32.25(17) . . ?
O48 K6 Ni9 102.41(18) . . ?
O42 K6 Ni9 108.6(2) . . ?
O57 K6 Ni9 171.8(2) 7_566 . ?
O58' K6 Ni9 96.2(5) . . ?
O58 K6 Ni9 114.5(3) . . ?
O9 K6 Ni9 33.34(12) . . ?
O13 K6 Ni9 33.48(12) . . ?
C34 K6 Ni9 106.65(19) . . ?
C6 K6 Ni9 85.36(16) . . ?
C36 K6 Ni9 97.8(2) . . ?
O8 K6 H8A 15.5 . . ?
O48 K6 H8A 99.5 . . ?
O42 K6 H8A 124.9 . . ?
O57 K6 H8A 129.9 7_566 . ?
O58' K6 H8A 55.6 . . ?
O58 K6 H8A 73.1 . . ?
O9 K6 H8A 64.6 . . ?
O13 K6 H8A 69.8 . . ?
C34 K6 H8A 135.1 . . ?
C6 K6 H8A 84.9 . . ?
C36 K6 H8A 137.7 . . ?
Ni9 K6 H8A 41.9 . . ?
O8 K6 H8B 15.5 . . ?
O48 K6 H8B 74.9 . . ?
O42 K6 H8B 147.2 . . ?
O57 K6 H8B 132.2 7_566 . ?
O58' K6 H8B 72.0 . . ?
O58 K6 H8B 77.6 . . ?
O9 K6 H8B 74.2 . . ?
O13 K6 H8B 55.3 . . ?
C34 K6 H8B 148.6 . . ?
C6 K6 H8B 59.1 . . ?
C36 K6 H8B 134.3 . . ?
Ni9 K6 H8B 41.9 . . ?
H8A K6 H8B 26.8 . . ?
O55 K7 O40 109.3(3) . . ?
O55 K7 O11 91.5(3) . 7_575 ?
O40 K7 O11 133.9(2) . 7_575 ?
O55 K7 O27 114.5(3) . 7_565 ?
O40 K7 O27 94.5(2) . 7_565 ?
O11 K7 O27 113.9(2) 7_575 7_565 ?
O55 K7 O12 83.5(3) . . ?
O40 K7 O12 81.9(2) . . ?
O11 K7 O12 59.53(19) 7_575 . ?
O27 K7 O12 161.7(2) 7_565 . ?
O55 K7 O59' 170.4(5) . . ?
O40 K7 O59' 78.6(4) . . ?
O11 K7 O59' 78.9(5) 7_575 . ?
O27 K7 O59' 69.2(5) 7_565 . ?
O12 K7 O59' 92.5(5) . . ?
O55 K7 O38 91.3(3) . 7_565 ?
O40 K7 O38 68.5(2) . 7_565 ?
O11 K7 O38 154.1(2) 7_575 7_565 ?
O27 K7 O38 42.62(19) 7_565 7_565 ?
O12 K7 O38 146.4(2) . 7_565 ?
O59' K7 O38 96.9(5) . 7_565 ?
O55 K7 C18 100.8(3) . 7_565 ?
O40 K7 C18 83.8(2) . 7_565 ?
O11 K7 C18 133.3(2) 7_575 7_565 ?
O27 K7 C18 21.5(2) 7_565 7_565 ?
O12 K7 C18 165.7(2) . 7_565 ?
O59' K7 C18 85.3(5) . 7_565 ?
O38 K7 C18 21.6(2) 7_565 7_565 ?
O55 K7 C24 119.4(3) . . ?
O40 K7 C24 18.7(2) . . ?
O11 K7 C24 115.7(2) 7_575 . ?
O27 K7 C24 102.4(2) 7_565 . ?
O12 K7 C24 69.29(19) . . ?
O59' K7 C24 66.6(4) . . ?
O38 K7 C24 85.0(2) 7_565 . ?
C18 K7 C24 97.0(2) 7_565 . ?
O55 K7 K3 147.0(2) . . ?
O40 K7 K3 53.23(16) . . ?
O11 K7 K3 120.96(19) 7_575 . ?
O27 K7 K3 49.88(14) 7_565 . ?
O12 K7 K3 116.49(16) . . ?
O59' K7 K3 42.3(4) . . ?
O38 K7 K3 57.26(15) 7_565 . ?
C18 K7 K3 53.79(16) 7_565 . ?
C24 K7 K3 54.20(15) . . ?
O55 K7 Ni9 89.4(2) . 7_575 ?
O40 K7 Ni9 108.01(18) . 7_575 ?
O11 K7 Ni9 29.32(14) 7_575 7_575 ?
O27 K7 Ni9 139.71(19) 7_565 7_575 ?
O12 K7 Ni9 30.36(12) . 7_575 ?
O59' K7 Ni9 82.7(4) . 7_575 ?
O38 K7 Ni9 176.48(17) 7_565 7_575 ?
C18 K7 Ni9 161.0(2) 7_565 7_575 ?
C24 K7 Ni9 91.67(16) . 7_575 ?
K3 K7 Ni9 121.39(12) . 7_575 ?
O55 K7 K2 90.6(2) . . ?
O40 K7 K2 32.53(15) . . ?
O11 K7 K2 165.18(18) 7_575 . ?
O27 K7 K2 78.28(15) 7_565 . ?
O12 K7 K2 106.22(15) . . ?
O59' K7 K2 98.9(4) . . ?
O38 K7 K2 40.44(13) 7_565 . ?
C18 K7 K2 60.42(16) 7_565 . ?
C24 K7 K2 51.20(15) . . ?
K3 K7 K2 59.58(7) . . ?
Ni9 K7 K2 136.10(10) 7_575 . ?
O55 K7 H55B 15.5 . . ?
O40 K7 H55B 105.2 . . ?
O11 K7 H55B 84.1 7_575 . ?
O27 K7 H55B 130.0 7_565 . ?
O12 K7 H55B 68.0 . . ?
O59' K7 H55B 158.9 . . ?
O38 K7 H55B 103.8 7_565 . ?
C18 K7 H55B 115.7 7_565 . ?
C24 K7 H55B 110.9 . . ?
K3 K7 H55B 154.0 . . ?
Ni9 K7 H55B 76.3 7_575 . ?
K2 K7 H55B 94.4 . . ?
O55 K7 H55A 15.4 . . ?
O40 K7 H55A 97.5 . . ?
O11 K7 H55A 107.0 7_575 . ?
O27 K7 H55A 106.9 7_565 . ?
O12 K7 H55A 91.4 . . ?
O59' K7 H55A 174.1 . . ?
O38 K7 H55A 77.4 7_565 . ?
C18 K7 H55A 89.9 7_565 . ?
C24 K7 H55A 110.7 . . ?
K3 K7 H55A 131.8 . . ?
Ni9 K7 H55A 102.8 7_575 . ?
K2 K7 H55A 75.7 . . ?
H55B K7 H55A 26.5 . . ?
K8 K8 O51 137.2(4) 2_565 . ?
K8 K8 O44 69.9(3) 2_565 . ?
O51 K8 O44 85.4(3) . . ?
K8 K8 O44 69.5(3) 2_565 2_565 ?
O51 K8 O44 67.8(3) . 2_565 ?
O44 K8 O44 57.0(3) . 2_565 ?
K8 K8 O31 88.9(5) 2_565 . ?
O51 K8 O31 97.8(3) . . ?
O44 K8 O31 44.9(2) . . ?
O44 K8 O31 101.6(3) 2_565 . ?
K8 K8 O53 99.4(2) 2_565 8_655 ?
O51 K8 O53 119.0(4) . 8_655 ?
O44 K8 O53 146.1(4) . 8_655 ?
O44 K8 O53 151.0(4) 2_565 8_655 ?
O31 K8 O53 105.0(3) . 8_655 ?
K8 K8 O59 85.9(5) 2_565 2_565 ?
O51 K8 O59 94.2(4) . 2_565 ?
O44 K8 O59 142.1(4) . 2_565 ?
O44 K8 O59 87.8(4) 2_565 2_565 ?
O31 K8 O59 166.9(4) . 2_565 ?
O53 K8 O59 64.2(3) 8_655 2_565 ?
K8 K8 C28 76.7(4) 2_565 . ?
O51 K8 C28 93.4(3) . . ?
O44 K8 C28 21.9(2) . . ?
O44 K8 C28 78.8(3) 2_565 . ?
O31 K8 C28 23.17(19) . . ?
O53 K8 C28 126.0(3) 8_655 . ?
O59 K8 C28 160.9(4) 2_565 . ?
K8 K8 C28 70.0(4) 2_565 2_565 ?
O51 K8 C28 70.7(3) . 2_565 ?
O44 K8 C28 76.9(3) . 2_565 ?
O44 K8 C28 20.4(2) 2_565 2_565 ?
O31 K8 C28 121.8(3) . 2_565 ?
O53 K8 C28 131.1(3) 8_655 2_565 ?
O59 K8 C28 67.4(3) 2_565 2_565 ?
C28 K8 C28 98.8(3) . 2_565 ?
K8 K8 K1 77.39(11) 2_565 . ?
O51 K8 K1 64.9(2) . . ?
O44 K8 K1 30.22(16) . . ?
O44 K8 K1 30.29(16) 2_565 . ?
O31 K8 K1 72.43(19) . . ?
O53 K8 K1 175.8(3) 8_655 . ?
O59 K8 K1 117.9(3) 2_565 . ?
C28 K8 K1 50.91(18) . . ?
C28 K8 K1 50.58(18) 2_565 . ?
K8 K8 K3 109.3(5) 2_565 2_565 ?
O51 K8 K3 64.3(2) . 2_565 ?
O44 K8 K3 134.2(3) . 2_565 ?
O44 K8 K3 79.3(2) 2_565 2_565 ?
O31 K8 K3 160.6(3) . 2_565 ?
O53 K8 K3 79.5(2) 8_655 2_565 ?
O59 K8 K3 30.1(3) 2_565 2_565 ?
C28 K8 K3 153.4(3) . 2_565 ?
C28 K8 K3 61.49(19) 2_565 2_565 ?
K1 K8 K3 104.00(16) . 2_565 ?
K8' K8' O51 122.6(6) 2_565 . ?
K8' K8' O53 93.3(3) 2_565 8_655 ?
O51 K8' O53 127.0(6) . 8_655 ?
K8' K8' O31 92.7(7) 2_565 . ?
O51 K8' O31 102.5(5) . . ?
O53 K8' O31 114.2(5) 8_655 . ?
K8' K8' O44 69.1(4) 2_565 . ?
O51 K8' O44 83.4(4) . . ?
O53 K8' O44 149.3(6) 8_655 . ?
O31 K8' O44 45.5(3) . . ?
K8' K8' O44 60.2(4) 2_565 2_565 ?
O51 K8' O44 63.1(4) . 2_565 ?
O53 K8' O44 140.3(5) 8_655 2_565 ?
O31 K8' O44 97.2(4) . 2_565 ?
O44 K8' O44 51.9(3) . 2_565 ?
K8' K8' C28 79.2(5) 2_565 . ?
O51 K8' C28 94.1(5) . . ?
O53 K8' C28 133.1(5) 8_655 . ?
O31 K8' C28 23.1(2) . . ?
O44 K8' C28 22.4(2) . . ?
O44 K8' C28 74.3(4) 2_565 . ?
K8' K8' K1 73.76(18) 2_565 . ?
O51 K8' K1 61.1(3) . . ?
O53 K8' K1 166.8(5) 8_655 . ?
O31 K8' K1 69.9(3) . . ?
O44 K8' K1 27.4(2) . . ?
O44 K8' K1 29.47(18) 2_565 . ?
C28 K8' K1 48.3(2) . . ?
C3 O1 Ni2 126.3(5) . 7_576 ?
C3 O1 Ni6 112.9(5) . 7_576 ?
Ni2 O1 Ni6 93.5(2) 7_576 7_576 ?
C3 O1 Ni5 120.1(5) . 7_576 ?
Ni2 O1 Ni5 99.3(2) 7_576 7_576 ?
Ni6 O1 Ni5 98.5(2) 7_576 7_576 ?
C22 O2 Ni6 127.4(5) . . ?
C22 O2 Ni1 120.3(5) . . ?
Ni6 O2 Ni1 100.9(2) . . ?
C22 O2 Ni2 110.1(5) . . ?
Ni6 O2 Ni2 93.0(2) . . ?
Ni1 O2 Ni2 98.3(2) . . ?
C12 O3 Ni5 127.8(5) . . ?
C12 O3 Ni6 120.7(5) . . ?
Ni5 O3 Ni6 99.3(2) . . ?
C12 O3 Ni1 111.9(5) . . ?
Ni5 O3 Ni1 92.1(2) . . ?
Ni6 O3 Ni1 98.0(2) . . ?
C8 O4 Ni1 125.6(5) . . ?
C8 O4 Ni5 112.6(5) . . ?
Ni1 O4 Ni5 94.8(2) . . ?
C8 O4 Ni2 119.3(5) . . ?
Ni1 O4 Ni2 100.4(2) . . ?
Ni5 O4 Ni2 98.5(2) . . ?
C35 O5 Ni6 123.5(5) . . ?
C26 O6 Ni6 121.6(6) . . ?
C6 O7 Ni6 113.0(5) . 7_576 ?
Ni9 O8 K6 106.3(3) . . ?
Ni9 O8 H8A 110.4 . . ?
K6 O8 H8A 110.5 . . ?
Ni9 O8 H8B 110.4 . . ?
K6 O8 H8B 110.6 . . ?
H8A O8 H8B 108.7 . . ?
C10 O9 Ni9 135.0(6) . . ?
C10 O9 K5 120.1(5) . 2_565 ?
Ni9 O9 K5 96.7(2) . 2_565 ?
C10 O9 K6 104.1(5) . . ?
Ni9 O9 K6 88.7(2) . . ?
K5 O9 K6 105.1(2) 2_565 . ?
C14 O10 Ni9 123.8(6) . . ?
Ni9 O11 K7 109.1(3) . 7_576 ?
Ni9 O11 K5 85.7(2) . 2_565 ?
K7 O11 K5 129.5(2) 7_576 2_565 ?
Ni9 O11 H11C 109.7 . . ?
K7 O11 H11C 108.2 7_576 . ?
K5 O11 H11C 26.8 2_565 . ?
Ni9 O11 H11D 109.6 . . ?
K7 O11 H11D 0.6 7_576 . ?
K5 O11 H11D 129.7 2_565 . ?
H11C O11 H11D 108.2 . . ?
C35 O12 Ni9 125.7(6) . 7_575 ?
C35 O12 K7 117.8(5) . . ?
Ni9 O12 K7 100.6(2) 7_575 . ?
C1 O13 Ni9 133.4(6) . . ?
C1 O13 K5 120.2(6) . 2_565 ?
Ni9 O13 K5 93.5(2) . 2_565 ?
C1 O13 K6 117.1(6) . . ?
Ni9 O13 K6 84.3(2) . . ?
K5 O13 K6 99.2(2) 2_565 . ?
Ni3 O14 H14B 109.7 . . ?
Ni3 O14 H14A 109.7 . . ?
H14B O14 H14A 108.2 . . ?
Ni3 O15 H15B 109.0 . . ?
Ni3 O15 H15A 109.3 . . ?
H15B O15 H15A 109.4 . . ?
C5 O16 Ni3 125.9(5) . 7_566 ?
C5 O16 K2 119.2(5) . 7_566 ?
Ni3 O16 K2 108.9(2) 7_566 7_566 ?
C20 O17 Ni3 129.5(5) . . ?
C20 O17 K2 116.9(5) . . ?
Ni3 O17 K2 107.2(2) . . ?
Ni3 O18 K4 132.8(3) . . ?
C19 O19 Ni8 129.1(6) . 7_566 ?
C15 O20 Ni8 127.0(6) . . ?
Ni8 O21 K3 108.4(3) . . ?
Ni8 O21 H21C 109.9 . . ?
K3 O21 H21C 110.0 . . ?
Ni8 O21 H21D 110.0 . . ?
K3 O21 H21D 110.1 . . ?
H21C O21 H21D 108.5 . . ?
C32 O22 Ni7 128.5(5) . 2 ?
C32 O22 Ni4 118.9(5) . . ?
Ni7 O22 Ni4 100.4(2) 2 . ?
C32 O22 Ni7 111.8(5) . . ?
Ni7 O22 Ni7 91.1(2) 2 . ?
Ni4 O22 Ni7 99.5(2) . . ?
C15 O23 Ni4 122.6(5) . 2 ?
C17 O24 Ni4 114.5(6) . . ?
C34 O25 Ni4 120.0(6) . . ?
C29 O26 Ni4 127.7(5) . 2 ?
C29 O26 Ni7 119.3(5) . 2 ?
Ni4 O26 Ni7 101.1(2) 2 2 ?
C29 O26 Ni4 111.8(5) . . ?
Ni4 O26 Ni4 92.1(2) 2 . ?
Ni7 O26 Ni4 98.0(2) 2 . ?
C18 O27 Ni7 115.8(6) . . ?
C18 O27 K3 94.1(5) . 7_566 ?
Ni7 O27 K3 103.4(2) . 7_566 ?
C18 O27 K7 103.0(6) . 7_566 ?
Ni7 O27 K7 140.6(3) . 7_566 ?
K3 O27 K7 79.41(18) 7_566 7_566 ?
C31 O28 Ni7 117.2(6) . 2 ?
C20 O29 Ni1 120.8(5) . . ?
C20 O29 K4 108.2(5) . . ?
Ni1 O29 K4 83.3(2) . . ?
C1 O30 Ni2 123.1(5) . 7_576 ?
C28 O31 Ni2 119.5(5) . . ?
C28 O31 K8' 96.1(6) . . ?
Ni2 O31 K8' 143.4(4) . . ?
C28 O31 K8 89.2(5) . . ?
Ni2 O31 K8 150.8(3) . . ?
C10 O32 Ni1 120.3(5) . . ?
C10 O32 K4 127.1(5) . . ?
Ni1 O32 K4 91.5(2) . . ?
C25 O33 Ni1 111.3(5) . . ?
C25 O33 K4 111.1(5) . . ?
Ni1 O33 K4 95.6(2) . . ?
C25 O33 K4 88.2(5) . 5_565 ?
Ni1 O33 K4 156.9(3) . 5_565 ?
K4 O33 K4 88.38(17) . 5_565 ?
C5 O34 Ni5 122.0(5) . 7_576 ?
C7 O35 Ni5 113.8(5) . . ?
C14 O36 Ni5 125.3(5) . . ?
Ni3 O37 H37B 109.9 . . ?
Ni3 O37 H37A 109.1 . . ?
H37B O37 H37A 109.8 . . ?
C18 O38 K2 153.5(6) . 7_566 ?
C18 O38 K7 87.8(6) . 7_566 ?
K2 O38 K7 93.6(2) 7_566 7_566 ?
C18 O38 K3 73.9(5) . 7_566 ?
K2 O38 K3 82.13(19) 7_566 7_566 ?
K7 O38 K3 68.11(17) 7_566 7_566 ?
C19 O39 Ni7 124.0(6) . 2 ?
C19 O39 K3 129.8(6) . 8_656 ?
Ni7 O39 K3 104.4(2) 2 8_656 ?
C24 O40 K2 126.2(5) . . ?
C24 O40 K7 118.7(5) . . ?
K2 O40 K7 114.9(2) . . ?
C24 O40 K3 90.8(5) . . ?
K2 O40 K3 93.6(2) . . ?
K7 O40 K3 81.07(19) . . ?
C24 O41 Ni2 111.1(5) . . ?
C24 O41 K3 99.5(5) . . ?
Ni2 O41 K3 137.0(3) . . ?
C34 O42 K6 121.0(6) . . ?
C17 O43 K1 147.7(6) . . ?
C28 O44 K1 134.8(6) . . ?
C28 O44 K8 103.3(5) . . ?
K1 O44 K8 115.2(3) . . ?
C28 O44 K8 109.6(5) . 2_565 ?
K1 O44 K8 114.9(3) . 2_565 ?
K8 O44 K8 40.6(4) . 2_565 ?
C28 O44 K8' 96.3(6) . . ?
K1 O44 K8' 119.5(4) . . ?
C28 O44 K8' 112.2(6) . 2_565 ?
K1 O44 K8' 111.7(3) . 2_565 ?
K8' O44 K8' 50.8(5) . 2_565 ?
C7 O45 K1 127.2(5) . . ?
C7 O45 K5 117.3(5) . 2_565 ?
K1 O45 K5 115.0(2) . 2_565 ?
C26 O46 K4 116.9(6) . 5_565 ?
C25 O47 K4 92.1(5) . 5_565 ?
C6 O48 K6 123.2(5) . . ?
C6 O48 K2 132.3(5) . 7_566 ?
K6 O48 K2 104.5(2) . 7_566 ?
C31 O49 K5 157.2(7) . . ?
K1 O52 K5 106.79(18) . 2_565 ?
K1 O52 K5 106.79(18) . . ?
K5 O52 K5 146.4(4) 2_565 . ?
K1 O52 H52B 110.4 . . ?
K5 O52 H52B 56.7 2_565 . ?
K5 O52 H52B 110.4 . . ?
K5 O53 K8' 132.0(4) . 8_656 ?
K5 O53 K8 137.9(4) . 8_656 ?
K5 O53 H53B 109.6 . . ?
K8' O53 H53B 30.8 8_656 . ?
K8 O53 H53B 37.9 8_656 . ?
K5 O53 H53A 109.5 . . ?
K8' O53 H53A 110.7 8_656 . ?
K8 O53 H53A 108.0 8_656 . ?
H53B O53 H53A 109.8 . . ?
K2 O54 H54A 109.3 . . ?
K2 O54 H54B 109.4 . . ?
H54A O54 H54B 109.5 . . ?
K7 O55 H55B 109.4 . . ?
K7 O55 H55A 109.8 . . ?
H55B O55 H55A 108.2 . . ?
K2 O56 K3 97.6(3) . . ?
K2 O56 H56A 112.0 . . ?
K3 O56 H56A 112.1 . . ?
K2 O56 H56B 112.4 . . ?
K3 O56 H56B 112.4 . . ?
H56A O56 H56B 109.8 . . ?
K4 O58' K6 94.3(7) . . ?
K3 O59 K8 117.4(5) . 2_565 ?
K3 O59' K7 79.6(6) . . ?
O13 C1 O30 124.2(8) . . ?
O13 C1 C2 117.2(8) . . ?
O30 C1 C2 118.6(7) . . ?
C1 C2 C3 116.4(7) . . ?
C1 C2 H2A 108.2 . . ?
C3 C2 H2A 108.2 . . ?
C1 C2 H2B 108.2 . . ?
C3 C2 H2B 108.2 . . ?
H2A C2 H2B 107.3 . . ?
O1 C3 C2 112.1(7) . . ?
O1 C3 C4 111.4(7) . . ?
C2 C3 C4 106.0(7) . . ?
O1 C3 C6 109.2(7) . . ?
C2 C3 C6 111.3(7) . . ?
C4 C3 C6 106.7(7) . . ?
C5 C4 C3 113.1(7) . . ?
C5 C4 H4A 109.0 . . ?
C3 C4 H4A 109.0 . . ?
C5 C4 H4B 109.0 . . ?
C3 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
O16 C5 O34 123.3(8) . . ?
O16 C5 C4 118.0(7) . . ?
O34 C5 C4 118.8(7) . . ?
O48 C6 O7 123.7(8) . . ?
O48 C6 C3 117.9(8) . . ?
O7 C6 C3 118.4(7) . . ?
O48 C6 K6 39.5(4) . . ?
O7 C6 K6 113.7(5) . . ?
C3 C6 K6 114.7(5) . . ?
O45 C7 O35 124.8(8) . . ?
O45 C7 C8 117.1(7) . . ?
O35 C7 C8 118.0(7) . . ?
O45 C7 K1 35.7(4) . . ?
O35 C7 K1 112.3(5) . . ?
C8 C7 K1 115.5(5) . . ?
O45 C7 K5 44.2(4) . 2_565 ?
O35 C7 K5 125.7(5) . 2_565 ?
C8 C7 K5 100.0(5) . 2_565 ?
K1 C7 K5 79.72(19) . 2_565 ?
O4 C8 C9 110.8(7) . . ?
O4 C8 C27 110.7(6) . . ?
C9 C8 C27 106.7(7) . . ?
O4 C8 C7 109.4(7) . . ?
C9 C8 C7 113.4(7) . . ?
C27 C8 C7 105.7(7) . . ?
C10 C9 C8 113.7(7) . . ?
C10 C9 K5 79.6(4) . 2_565 ?
C8 C9 K5 101.3(5) . 2_565 ?
C10 C9 H9A 108.8 . . ?
C8 C9 H9A 108.8 . . ?
K5 C9 H9A 141.1 2_565 . ?
C10 C9 H9B 108.8 . . ?
C8 C9 H9B 108.8 . . ?
K5 C9 H9B 37.3 2_565 . ?
H9A C9 H9B 107.7 . . ?
O9 C10 O32 124.6(8) . . ?
O9 C10 C9 116.7(7) . . ?
O32 C10 C9 118.6(7) . . ?
O9 C10 K5 42.1(4) . 2_565 ?
O32 C10 K5 163.7(6) . 2_565 ?
C9 C10 K5 75.6(4) . 2_565 ?
C26 C11 C12 112.2(7) . . ?
C26 C11 H11A 109.2 . . ?
C12 C11 H11A 109.2 . . ?
C26 C11 H11B 109.2 . . ?
C12 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
O3 C12 C11 111.2(6) . . ?
O3 C12 C13 111.9(6) . . ?
C11 C12 C13 107.3(7) . . ?
O3 C12 C25 109.5(6) . . ?
C11 C12 C25 105.3(6) . . ?
C13 C12 C25 111.4(6) . . ?
C14 C13 C12 114.8(7) . . ?
C14 C13 H13A 108.6 . . ?
C12 C13 H13A 108.6 . . ?
C14 C13 H13B 108.6 . . ?
C12 C13 H13B 108.6 . . ?
H13A C13 H13B 107.5 . . ?
O36 C14 O10 122.9(8) . . ?
O36 C14 C13 118.9(7) . . ?
O10 C14 C13 118.1(7) . . ?
O23 C15 O20 123.1(8) . . ?
O23 C15 C16 120.7(7) . . ?
O20 C15 C16 116.1(8) . . ?
C15 C16 C29 114.7(7) . . ?
C15 C16 H16A 108.6 . . ?
C29 C16 H16A 108.6 . . ?
C15 C16 H16B 108.6 . . ?
C29 C16 H16B 108.6 . . ?
H16A C16 H16B 107.6 . . ?
O43 C17 O24 123.6(8) . . ?
O43 C17 C29 118.6(8) . . ?
O24 C17 C29 117.8(7) . . ?
O43 C17 K1 21.3(4) . . ?
O24 C17 K1 109.3(6) . . ?
C29 C17 K1 129.5(5) . . ?
O38 C18 O27 123.7(9) . . ?
O38 C18 C32 118.5(9) . . ?
O27 C18 C32 117.8(8) . . ?
O38 C18 K3 84.0(6) . 7_566 ?
O27 C18 K3 62.4(5) . 7_566 ?
C32 C18 K3 127.2(6) . 7_566 ?
O38 C18 K7 70.6(6) . 7_566 ?
O27 C18 K7 55.5(5) . 7_566 ?
C32 C18 K7 161.9(6) . 7_566 ?
K3 C18 K7 67.1(2) 7_566 7_566 ?
O39 C19 O19 125.8(9) . . ?
O39 C19 C33 119.1(8) . . ?
O19 C19 C33 115.1(8) . . ?
O29 C20 O17 123.2(8) . . ?
O29 C20 C21 119.9(8) . . ?
O17 C20 C21 116.9(7) . . ?
C20 C21 C22 113.7(7) . . ?
C20 C21 H21A 108.8 . . ?
C22 C21 H21A 108.8 . . ?
C20 C21 H21B 108.8 . . ?
C22 C21 H21B 108.8 . . ?
H21A C21 H21B 107.7 . . ?
O2 C22 C23 111.9(7) . . ?
O2 C22 C21 111.4(6) . . ?
C23 C22 C21 106.1(7) . . ?
O2 C22 C24 109.9(7) . . ?
C23 C22 C24 110.5(7) . . ?
C21 C22 C24 106.7(7) . . ?
C35 C23 C22 116.7(7) . . ?
C35 C23 H23A 108.1 . . ?
C22 C23 H23A 108.1 . . ?
C35 C23 H23B 108.1 . . ?
C22 C23 H23B 108.1 . . ?
H23A C23 H23B 107.3 . . ?
O40 C24 O41 124.0(8) . . ?
O40 C24 C22 118.0(7) . . ?
O41 C24 C22 117.9(7) . . ?
O40 C24 K3 66.4(5) . . ?
O41 C24 K3 57.7(4) . . ?
C22 C24 K3 175.6(5) . . ?
O40 C24 K7 42.5(4) . . ?
O41 C24 K7 109.4(5) . . ?
C22 C24 K7 116.4(5) . . ?
K3 C24 K7 66.39(17) . . ?
O40 C24 K2 37.2(4) . . ?
O41 C24 K2 118.5(5) . . ?
C22 C24 K2 109.3(5) . . ?
K3 C24 K2 74.25(18) . . ?
K7 C24 K2 79.61(19) . . ?
O47 C25 O33 122.1(8) . . ?
O47 C25 C12 119.6(8) . . ?
O33 C25 C12 118.1(7) . . ?
O47 C25 K4 65.0(5) . 5_565 ?
O33 C25 K4 68.4(4) . 5_565 ?
C12 C25 K4 140.9(5) . 5_565 ?
O47 C25 K4 86.7(5) . . ?
O33 C25 K4 48.2(4) . . ?
C12 C25 K4 141.3(5) . . ?
K4 C25 K4 74.06(19) 5_565 . ?
O6 C26 O46 121.4(8) . . ?
O6 C26 C11 118.9(8) . . ?
O46 C26 C11 119.4(8) . . ?
C28 C27 C8 108.3(7) . . ?
C28 C27 H27A 110.0 . . ?
C8 C27 H27A 110.0 . . ?
C28 C27 H27B 110.0 . . ?
C8 C27 H27B 110.0 . . ?
H27A C27 H27B 108.4 . . ?
O44 C28 O31 121.8(8) . . ?
O44 C28 C27 119.3(7) . . ?
O31 C28 C27 118.8(7) . . ?
O44 C28 K8' 61.2(5) . . ?
O31 C28 K8' 60.8(5) . . ?
C27 C28 K8' 177.7(6) . . ?
O44 C28 K8 54.8(5) . . ?
O31 C28 K8 67.6(5) . . ?
C27 C28 K8 171.9(6) . . ?
O44 C28 K8 50.0(4) . 2_565 ?
O31 C28 K8 86.4(5) . 2_565 ?
C27 C28 K8 139.1(6) . 2_565 ?
K8 C28 K8 33.3(3) . 2_565 ?
O44 C28 K1 30.2(4) . . ?
O31 C28 K1 140.8(6) . . ?
C27 C28 K1 94.6(5) . . ?
K8' C28 K1 86.6(3) . . ?
K8 C28 K1 81.5(2) . . ?
K8 C28 K1 79.8(2) 2_565 . ?
O26 C29 C16 111.0(7) . . ?
O26 C29 C17 109.9(7) . . ?
C16 C29 C17 113.1(7) . . ?
O26 C29 C30 112.1(7) . . ?
C16 C29 C30 104.5(7) . . ?
C17 C29 C30 106.0(7) . . ?
C31 C30 C29 116.2(8) . . ?
C31 C30 H30A 108.2 . . ?
C29 C30 H30A 108.2 . . ?
C31 C30 H30B 108.2 . . ?
C29 C30 H30B 108.2 . . ?
H30A C30 H30B 107.4 . . ?
O49 C31 O28 120.9(10) . . ?
O49 C31 C30 118.4(11) . . ?
O28 C31 C30 120.7(9) . . ?
O22 C32 C18 110.0(7) . . ?
O22 C32 C33 111.8(7) . . ?
C18 C32 C33 110.7(7) . . ?
O22 C32 C36 109.6(7) . . ?
C18 C32 C36 108.8(8) . . ?
C33 C32 C36 105.8(7) . . ?
C19 C33 C32 115.9(8) . . ?
C19 C33 H33A 108.3 . . ?
C32 C33 H33A 108.3 . . ?
C19 C33 H33B 108.3 . . ?
C32 C33 H33B 108.3 . . ?
H33A C33 H33B 107.4 . . ?
O42 C34 O25 123.0(8) . . ?
O42 C34 C36 118.5(8) . . ?
O25 C34 C36 118.5(8) . . ?
O42 C34 K6 41.0(4) . . ?
O25 C34 K6 163.1(6) . . ?
C36 C34 K6 78.0(5) . . ?
O12 C35 O5 122.6(8) . . ?
O12 C35 C23 118.6(7) . . ?
O5 C35 C23 118.7(7) . . ?
C34 C36 C32 112.5(8) . . ?
C34 C36 K6 76.7(5) . . ?
C32 C36 K6 121.8(6) . . ?
C34 C36 H36A 109.1 . . ?
C32 C36 H36A 109.1 . . ?
K6 C36 H36A 32.4 . . ?
C34 C36 H36B 109.1 . . ?
C32 C36 H36B 109.1 . . ?
K6 C36 H36B 121.9 . . ?
H36A C36 H36B 107.8 . . ?
K6 O57 K2 97.1(3) 7_565 . ?

_refine_diff_density_max         4.836
_refine_diff_density_min         -3.654
_refine_diff_density_rms         0.211

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 1056704'
_audit_update_record             
;
2016-05-25 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H66 K8 Ni12 O73'
_chemical_formula_weight         2828.32

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'
#===========================================================================
# start Validation Reply Form
#===========================================================================

#ALERTS LEVEL B
#=============

_vrf_PLAT112_3                   
;
PROBLEM: ADDSYM Detects New (Pseudo) Symm. Elem.        B         94 %Fit  
RESPONSE: Tests for missed symmertry are done with ADDSYM and CALC NEWSYM 
process of PLATON. The result shows that there is no obvious spacegroup change are needed or suggested. 
The Ni4 Cubic based structure may be in a higher 
symmetry, but the whole structure is still 
in P-1 space group. 
Which may cause the pseudo symm problem.
;

_vrf_PLAT306_3                   
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O1S Check 
RESPONSE: The O1S is a disordered free water molecule. 
;

_vrf_PLAT430_3                   
;
PROBLEM: Short Inter D...A Contact  O1S    ..  O3      ..       2.74 Ang.
RESPONSE: Please see response to PLAT306_2
;

#=========================================================================== 
# end Validation Reply Form 
#=========================================================================



_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.0462(6)
_cell_length_b                   14.7766(7)
_cell_length_c                   22.3880(11)
_cell_angle_alpha                101.7960(10)
_cell_angle_beta                 106.0770(10)
_cell_angle_gamma                96.1090(10)
_cell_volume                     3998.1(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    13991
_cell_measurement_theta_min      1.52
_cell_measurement_theta_max      25.00

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.349
_exptl_crystal_F_000             2852
_exptl_transmission_factor_min   0.4932
_exptl_transmission_factor_max   0.6313
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    3.312
_shelx_estimated_absorpt_T_min   0.493
_shelx_estimated_absorpt_T_max   0.631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.385
_exptl_absorpt_correction_T_max  0.608
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28840
_diffrn_reflns_av_unetI/netI     0.0347
_diffrn_reflns_av_R_equivalents  0.0223
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.521
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             13978
_reflns_number_gt                11901
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0605P)²+25.1736P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13978
_refine_ls_number_parameters     1258
_refine_ls_number_restraints     76
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0505
_refine_ls_wR_factor_ref         0.1321
_refine_ls_wR_factor_gt          0.1262
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
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 . ?

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
_geom_angle_publ_flag
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 . . ?

_refine_diff_density_max         2.550
_refine_diff_density_min         -2.210
_refine_diff_density_rms         0.158

