#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:17:06 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179569 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/35/4503578.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4503578
loop_
_publ_author_name
'Xu, Qiang'
'Zou, Ru-Qiang'
'Zhong, Rui-Qin'
'Kachi-Terajima, Chihiro'
'Takamizawa, Satoshi'
_publ_section_title
;
 Cubic Metal−Organic Polyhedrons of Nickel(II)
 Imidazoledicarboxylate Depositing Protons or Alkali Metal Ions
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2458
_journal_paper_doi               10.1021/cg8000762
_journal_volume                  8
_journal_year                    2008
_chemical_formula_sum            'C60 H70 K20 N24 Ni8 O77'
_chemical_formula_weight         3611.08
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.447(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.4185(9)
_cell_length_b                   17.1640(6)
_cell_length_c                   29.4732(10)
_cell_measurement_reflns_used    53442
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      68.4
_cell_measurement_theta_min      3.1
_cell_volume                     12602.1(8)
_computing_molecular_graphics    Shelxtl
_computing_publication_material  shelxtl
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.001
_diffrn_reflns_av_sigmaI/netI    0.0984
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            70240
_diffrn_reflns_theta_full        68.23
_diffrn_reflns_theta_max         68.23
_diffrn_reflns_theta_min         3.13
_exptl_absorpt_coefficient_mu    8.223
_exptl_absorpt_correction_T_max  0.562
_exptl_absorpt_correction_T_min  0.181
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7272
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.187
_refine_diff_density_min         -0.953
_refine_diff_density_rms         0.189
_refine_ls_extinction_coef       0.000085(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     858
_refine_ls_number_reflns         11367
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.1540
_refine_ls_R_factor_gt           0.1060
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2961
_refine_ls_wR_factor_ref         0.3433
_reflns_number_gt                6325
_reflns_number_total             11367
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg8000762-file003.cif
_cod_data_source_block           2c
_cod_original_cell_volume        12602.1(7)
_cod_database_code               4503578
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ni1 Ni 0.33805(6) 0.41736(9) 0.63732(5) 0.0427(4) Uani 1 1 d .
Ni2 Ni 0.57587(5) 0.41718(9) 0.63848(5) 0.0433(4) Uani 1 1 d .
Ni3 Ni 0.57690(5) 0.05603(9) 0.64179(5) 0.0430(4) Uani 1 1 d .
Ni4 Ni 0.33617(6) 0.05124(9) 0.63419(5) 0.0428(4) Uani 1 1 d .
K1 K 0.23800(8) 0.53247(12) 0.56585(7) 0.0527(6) Uani 1 1 d .
K2 K 0.61486(8) 0.53784(13) 0.56714(7) 0.0556(6) Uani 1 1 d .
K3 K 0.61459(8) -0.06530(12) 0.56900(7) 0.0531(6) Uani 1 1 d .
K4 K 0.22886(9) -0.05631(13) 0.55714(8) 0.0604(6) Uani 1 1 d .
K5 K 0.79053(11) 0.23607(15) 0.62961(14) 0.0948(11) Uani 1 1 d .
K6A K 0.1378(2) 0.2356(3) 0.65470(17) 0.0603(11) Uiso 0.50 1 d P
K6B K 0.1122(2) 0.2398(3) 0.62423(18) 0.0621(12) Uiso 0.50 1 d P
K7A K 0.23027(16) 0.4795(2) 0.70279(14) 0.0524(10) Uani 0.49 1 d P
K7B K 0.26634(15) 0.4832(2) 0.80102(11) 0.0507(10) Uani 0.51 1 d P
K8A K 0.5736(2) 0.1128(3) 0.49399(18) 0.1092(18) Uani 0.63 1 d P
K8B K 0.6552(5) 0.2324(5) 0.5166(3) 0.108(3) Uani 0.37 1 d P
K9 K 0.31938(8) 0.26908(12) 0.47662(7) 0.0513(5) Uani 1 1 d .
K10A K 0.4313(2) 0.7331(3) 0.7569(2) 0.0613(13) Uiso 0.50 1 d P
K10B K 0.4212(2) 0.7383(3) 0.7337(2) 0.0628(13) Uiso 0.50 1 d P
O1 O 0.3172(2) 0.4314(3) 0.5630(2) 0.0466(14) Uani 1 1 d .
O2 O 0.3489(2) 0.4289(4) 0.5017(2) 0.0585(17) Uani 1 1 d .
O3 O 0.5413(2) 0.4234(4) 0.5626(2) 0.0493(15) Uani 1 1 d .
O4 O 0.4652(2) 0.3973(5) 0.5035(2) 0.072(2) Uani 1 1 d .
O5 O 0.6512(2) 0.4100(3) 0.6277(2) 0.0487(15) Uani 1 1 d .
O6 O 0.7043(2) 0.3259(4) 0.6078(2) 0.0593(17) Uani 1 1 d .
O7 O 0.6513(2) 0.0635(4) 0.6304(2) 0.0479(15) Uani 1 1 d .
O8 O 0.7051(3) 0.1478(4) 0.6090(3) 0.073(2) Uani 1 1 d .
O9 O 0.5441(2) 0.0537(3) 0.5666(2) 0.0482(15) Uani 1 1 d .
O10 O 0.4689(2) 0.0891(4) 0.5092(2) 0.0513(15) Uani 1 1 d .
O11 O 0.3186(2) 0.0343(3) 0.55936(19) 0.0464(14) Uani 1 1 d .
O12 O 0.3575(2) 0.0119(4) 0.5035(2) 0.0553(16) Uani 1 1 d .
O13 O 0.2537(2) 0.0617(3) 0.6231(2) 0.0481(15) Uani 1 1 d .
O14 O 0.1880(2) 0.1494(3) 0.6078(2) 0.0499(15) Uani 1 1 d .
O15 O 0.2560(2) 0.4079(3) 0.6268(2) 0.0447(14) Uani 1 1 d .
O16 O 0.1874(2) 0.3228(3) 0.6047(2) 0.0483(15) Uani 1 1 d .
O17 O 0.3331(2) 0.5416(3) 0.6429(2) 0.0458(14) Uani 1 1 d .
O18 O 0.3522(3) 0.6375(4) 0.6963(2) 0.077(2) Uani 1 1 d .
O19 O 0.4185(2) 0.5395(4) 0.8561(2) 0.0538(16) Uani 1 1 d .
O20A O 0.4167(6) 0.6352(9) 0.8029(5) 0.052(4) Uiso 0.46 1 d P
O20B O 0.3914(5) 0.6375(7) 0.8039(4) 0.052(3) Uiso 0.54 1 d P
O21 O 0.5827(2) -0.0672(3) 0.6464(2) 0.0477(15) Uani 1 1 d .
O22A O 0.6125(6) -0.1644(8) 0.6987(5) 0.051(4) Uiso 0.48 1 d P
O22B O 0.5867(6) -0.1645(8) 0.6982(4) 0.053(3) Uiso 0.52 1 d P
O23 O 0.6696(2) -0.0725(3) 0.8591(2) 0.0473(15) Uani 1 1 d .
O24A O 0.6208(7) -0.1630(10) 0.8078(6) 0.056(4) Uiso 0.37 1 d P
O24B O 0.6583(4) -0.1674(6) 0.8038(3) 0.056(3) Uiso 0.63 1 d P
O25 O 0.2627(2) 0.1554(4) 0.5006(2) 0.0554(16) Uani 1 1 d .
O26A O 0.3008(5) 0.6440(7) 0.5391(4) 0.075(3) Uiso 0.62 1 d P
O26B O 0.2610(8) 0.6483(12) 0.5150(7) 0.075(5) Uiso 0.38 1 d P
O27 O 0.5000 0.8601(9) 0.7500 0.204(9) Uani 1 2 d S
O28A O 0.2119(7) 0.3326(10) 0.7309(7) 0.104(5) Uiso 0.55 1 d P
O28B O 0.2183(8) 0.3267(12) 0.7682(8) 0.100(6) Uiso 0.45 1 d P
O29A O 0.859(2) 0.327(3) 0.5837(17) 0.147(16) Uiso 0.25 1 d P
O29B O 0.8039(6) 0.3324(9) 0.5572(5) 0.135(5) Uiso 0.75 1 d P
O30 O 0.2793(6) 0.6401(10) 0.7616(6) 0.216(7) Uani 1 1 d .
O31 O 0.6101(3) 0.3898(5) 0.5096(3) 0.090(2) Uani 1 1 d .
O33 O 0.4216(3) 0.2379(5) 0.4905(4) 0.105(3) Uani 1 1 d .
O35A O 0.4873(4) 0.5963(6) 0.5699(3) 0.060(3) Uiso 0.72 1 d P
O35B O 0.5067(12) 0.6275(19) 0.5806(9) 0.059(7) Uiso 0.28 1 d P
O36A O 0.5682(5) 0.2576(7) 0.4521(5) 0.068(3) Uiso 0.61 1 d P
O36B O 0.5660(8) 0.2421(11) 0.4261(8) 0.066(5) Uiso 0.39 1 d P
O37A O 0.8612(9) 0.1313(13) 0.5818(8) 0.074(6) Uiso 0.34 1 d P
O37B O 0.9015(5) 0.1135(7) 0.6005(4) 0.077(3) Uiso 0.66 1 d P
O38A O 0.4906(7) -0.1586(10) 0.5973(6) 0.091(5) Uiso 0.52 1 d P
O38B O 0.5100(8) -0.1528(11) 0.5798(7) 0.094(6) Uiso 0.48 1 d P
O39 O 0.1982(9) 0.7364(9) 0.7450(10) 0.264(12) Uani 1 1 d .
O40A O 0.0460(12) 0.2292(17) 0.5793(10) 0.174(10) Uiso 0.56 1 d P
O40B O 0.0265(14) 0.164(2) 0.5803(11) 0.157(12) Uiso 0.44 1 d P
O41A O 0.5274(9) 0.7245(14) 0.8332(9) 0.163(8) Uiso 0.63 1 d P
O41B O 0.5148(13) 0.660(2) 0.8075(13) 0.159(12) Uiso 0.37 1 d P
N1 N 0.4118(3) 0.4225(4) 0.6298(2) 0.0453(17) Uani 1 1 d .
N2 N 0.4967(3) 0.4187(4) 0.6304(2) 0.0403(16) Uani 1 1 d .
N3 N 0.5844(3) 0.3019(4) 0.6367(2) 0.0393(16) Uani 1 1 d .
N4 N 0.5854(3) 0.1731(4) 0.6394(2) 0.0432(17) Uani 1 1 d .
N5 N 0.4969(3) 0.0552(4) 0.6341(2) 0.0393(16) Uani 1 1 d .
N6 N 0.4119(3) 0.0437(4) 0.6305(2) 0.0385(16) Uani 1 1 d .
N7 N 0.3283(3) 0.1690(4) 0.6308(2) 0.0445(17) Uani 1 1 d .
N8 N 0.3297(3) 0.2988(4) 0.6329(3) 0.0456(17) Uani 1 1 d .
N9 N 0.3612(3) 0.4302(4) 0.7096(3) 0.0478(18) Uani 1 1 d .
N10 N 0.3928(3) 0.4307(4) 0.7891(3) 0.0474(18) Uani 1 1 d .
N11 N 0.6089(3) 0.0413(4) 0.7143(2) 0.0427(17) Uani 1 1 d .
N12 N 0.6424(3) 0.0401(4) 0.7937(2) 0.0454(17) Uani 1 1 d .
C1 C 0.4641(3) 0.4210(5) 0.6559(3) 0.043(2) Uani 1 1 d .
H1 H 0.4767 0.4215 0.6901 0.052 Uiso 1 1 calc R
C2 C 0.4103(4) 0.4221(5) 0.5825(3) 0.046(2) Uani 1 1 d .
C3 C 0.4638(3) 0.4183(5) 0.5828(3) 0.046(2) Uani 1 1 d .
C4 C 0.3570(3) 0.4279(6) 0.5454(3) 0.048(2) Uani 1 1 d .
C5 C 0.4903(4) 0.4135(6) 0.5468(3) 0.053(2) Uani 1 1 d .
C6 C 0.5607(4) 0.2374(5) 0.6443(3) 0.046(2) Uani 1 1 d .
H6 H 0.5288 0.2377 0.6526 0.055 Uiso 1 1 calc R
C7 C 0.6296(4) 0.2769(5) 0.6284(3) 0.044(2) Uani 1 1 d .
C8 C 0.6304(3) 0.1971(5) 0.6300(3) 0.0401(19) Uani 1 1 d .
C9 C 0.6652(4) 0.3396(5) 0.6203(3) 0.046(2) Uani 1 1 d .
C10 C 0.6654(4) 0.1328(6) 0.6221(3) 0.054(2) Uani 1 1 d .
C11 C 0.4621(3) 0.0503(5) 0.6576(3) 0.042(2) Uani 1 1 d .
H11 H 0.4729 0.0515 0.6917 0.050 Uiso 1 1 calc R
C12 C 0.4658(4) 0.0504(5) 0.5865(3) 0.045(2) Uani 1 1 d .
C13 C 0.4120(3) 0.0434(5) 0.5840(3) 0.042(2) Uani 1 1 d .
C14 C 0.4930(4) 0.0659(5) 0.5507(3) 0.046(2) Uani 1 1 d .
C15 C 0.3613(3) 0.0306(5) 0.5465(3) 0.047(2) Uani 1 1 d .
C16 C 0.3581(4) 0.2338(5) 0.6359(3) 0.046(2) Uani 1 1 d .
H16 H 0.3955 0.2333 0.6411 0.055 Uiso 1 1 calc R
C17 C 0.2760(3) 0.1935(5) 0.6232(3) 0.044(2) Uani 1 1 d .
C18 C 0.2767(4) 0.2767(5) 0.6247(3) 0.045(2) Uani 1 1 d .
C19 C 0.2350(4) 0.1339(5) 0.6178(3) 0.046(2) Uani 1 1 d .
C20 C 0.2367(3) 0.3387(5) 0.6183(3) 0.046(2) Uani 1 1 d .
C21 C 0.3668(3) 0.5070(5) 0.7245(3) 0.042(2) Uani 1 1 d .
C22 C 0.3776(3) 0.3881(5) 0.7496(3) 0.0376(19) Uani 1 1 d .
H22 H 0.3783 0.3328 0.7498 0.045 Uiso 1 1 calc R
C23 C 0.3508(3) 0.5662(5) 0.6857(3) 0.046(2) Uani 1 1 d .
C24 C 0.3858(3) 0.5080(5) 0.7749(3) 0.042(2) Uani 1 1 d .
C25 C 0.4041(4) 0.5659(6) 0.8127(4) 0.057(2) Uani 1 1 d .
C26 C 0.6146(3) -0.0345(5) 0.7281(3) 0.044(2) Uani 1 1 d .
C27 C 0.6261(3) 0.0820(5) 0.7534(3) 0.041(2) Uani 1 1 d .
H27 H 0.6270 0.1373 0.7533 0.049 Uiso 1 1 calc R
C28 C 0.5983(4) -0.0927(5) 0.6897(3) 0.050(2) Uani 1 1 d .
C29 C 0.6351(3) -0.0355(5) 0.7772(3) 0.042(2) Uani 1 1 d .
C30 C 0.6491(4) -0.0958(6) 0.8156(4) 0.060(3) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N9 Ni1 N1 98.4(3) . .
N9 Ni1 N8 99.5(3) . .
N1 Ni1 N8 97.1(3) . .
N9 Ni1 O1 166.9(3) . .
N1 Ni1 O1 78.9(2) . .
N8 Ni1 O1 93.6(3) . .
N9 Ni1 O15 95.7(3) . .
N1 Ni1 O15 165.9(3) . .
N8 Ni1 O15 80.2(3) . .
O1 Ni1 O15 87.4(2) . .
N9 Ni1 O17 79.3(3) . .
N1 Ni1 O17 92.9(3) . .
N8 Ni1 O17 170.0(3) . .
O1 Ni1 O17 88.0(2) . .
O15 Ni1 O17 90.1(2) . .
N9 Ni1 K1 119.2(2) . .
N1 Ni1 K1 118.7(2) . .
N8 Ni1 K1 119.5(2) . .
O1 Ni1 K1 53.49(16) . .
O15 Ni1 K1 53.20(16) . .
O17 Ni1 K1 54.35(16) . .
N3 Ni2 N2 97.5(3) . .
N3 Ni2 N10 97.5(3) . 2_656
N2 Ni2 N10 99.5(3) . 2_656
N3 Ni2 O19 170.1(3) . 2_656
N2 Ni2 O19 92.3(3) . 2_656
N10 Ni2 O19 79.2(3) 2_656 2_656
N3 Ni2 O3 92.0(3) . .
N2 Ni2 O3 79.0(2) . .
N10 Ni2 O3 170.5(3) 2_656 .
O19 Ni2 O3 91.5(2) 2_656 .
N3 Ni2 O5 79.5(3) . .
N2 Ni2 O5 165.3(2) . .
N10 Ni2 O5 95.1(3) 2_656 .
O19 Ni2 O5 91.3(2) 2_656 .
O3 Ni2 O5 86.6(2) . .
N3 Ni2 K2 122.4(2) . .
N2 Ni2 K2 116.12(19) . .
N10 Ni2 K2 119.1(2) 2_656 .
O19 Ni2 K2 53.33(18) 2_656 .
O3 Ni2 K2 54.61(17) . .
O5 Ni2 K2 56.08(16) . .
N4 Ni3 N11 98.5(3) . .
N4 Ni3 N5 97.2(3) . .
N11 Ni3 N5 99.6(3) . .
N4 Ni3 O9 89.7(3) . .
N11 Ni3 O9 171.8(3) . .
N5 Ni3 O9 80.5(2) . .
N4 Ni3 O7 79.2(3) . .
N11 Ni3 O7 95.2(3) . .
N5 Ni3 O7 165.1(2) . .
O9 Ni3 O7 85.0(2) . .
N4 Ni3 O21 169.9(3) . .
N11 Ni3 O21 79.2(3) . .
N5 Ni3 O21 92.8(2) . .
O9 Ni3 O21 92.5(2) . .
O7 Ni3 O21 91.1(2) . .
N4 Ni3 K3 122.1(2) . .
N11 Ni3 K3 119.0(2) . .
N5 Ni3 K3 115.96(19) . .
O9 Ni3 K3 54.57(17) . .
O7 Ni3 K3 56.41(16) . .
O21 Ni3 K3 52.77(16) . .
N12 Ni4 N7 97.7(3) 2_656 .
N12 Ni4 N6 96.5(3) 2_656 .
N7 Ni4 N6 98.4(3) . .
N12 Ni4 O13 94.9(3) 2_656 .
N7 Ni4 O13 79.8(3) . .
N6 Ni4 O13 168.6(2) . .
N12 Ni4 O11 166.3(3) 2_656 .
N7 Ni4 O11 95.9(2) . .
N6 Ni4 O11 79.4(2) . .
O13 Ni4 O11 89.6(2) . .
N12 Ni4 O23 79.2(3) 2_656 2_656
N7 Ni4 O23 169.0(3) . 2_656
N6 Ni4 O23 92.5(2) . 2_656
O13 Ni4 O23 89.8(2) . 2_656
O11 Ni4 O23 87.8(2) . 2_656
N12 Ni4 K4 121.0(2) 2_656 .
N7 Ni4 K4 116.4(2) . .
N6 Ni4 K4 121.79(19) . .
O13 Ni4 K4 51.08(16) . .
O11 Ni4 K4 53.40(16) . .
O23 Ni4 K4 58.08(16) 2_656 .
N12 Ni4 K7B 57.6(2) 2_656 4_546
N7 Ni4 K7B 103.9(2) . 4_546
N6 Ni4 K7B 147.47(19) . 4_546
O13 Ni4 K7B 42.44(16) . 4_546
O11 Ni4 K7B 120.79(17) . 4_546
O23 Ni4 K7B 65.43(17) 2_656 4_546
K4 Ni4 K7B 67.88(6) . 4_546
O8 K1 O26B 83.4(4) 3_455 .
O8 K1 O15 106.4(2) 3_455 .
O26B K1 O15 158.0(5) . .
O8 K1 O1 149.7(2) 3_455 .
O26B K1 O1 97.7(4) . .
O15 K1 O1 63.74(17) . .
O8 K1 O12 101.2(2) 3_455 7_556
O26B K1 O12 96.4(5) . 7_556
O15 K1 O12 100.72(19) . 7_556
O1 K1 O12 108.68(19) . 7_556
O8 K1 O17 85.3(2) 3_455 .
O26B K1 O17 96.0(5) . .
O15 K1 O17 66.05(17) . .
O1 K1 O17 64.47(17) . .
O12 K1 O17 166.6(2) 7_556 .
O8 K1 O26A 86.8(3) 3_455 .
O26B K1 O26A 22.1(4) . .
O15 K1 O26A 136.7(3) . .
O1 K1 O26A 84.0(3) . .
O12 K1 O26A 117.2(3) 7_556 .
O17 K1 O26A 74.5(3) . .
O8 K1 C10 19.5(2) 3_455 3_455
O26B K1 C10 99.6(4) . 3_455
O15 K1 C10 94.5(2) . 3_455
O1 K1 C10 153.9(2) . 3_455
O12 K1 C10 88.6(2) 7_556 3_455
O17 K1 C10 94.3(2) . 3_455
O26A K1 C10 105.9(3) . 3_455
O8 K1 Ni1 116.59(18) 3_455 .
O26B K1 Ni1 120.2(4) . .
O15 K1 Ni1 37.86(12) . .
O1 K1 Ni1 37.77(12) . .
O12 K1 Ni1 128.65(15) 7_556 .
O17 K1 Ni1 38.96(12) . .
O26A K1 Ni1 99.2(3) . .
C10 K1 Ni1 116.13(17) 3_455 .
O8 K1 K3 83.91(16) 3_455 3_455
O26B K1 K3 135.8(5) . 3_455
O15 K1 K3 65.76(13) . 3_455
O1 K1 K3 113.73(14) . 3_455
O12 K1 K3 45.55(13) 7_556 3_455
O17 K1 K3 124.82(14) . 3_455
O26A K1 K3 157.5(3) . 3_455
C10 K1 K3 64.61(18) 3_455 3_455
Ni1 K1 K3 103.32(6) . 3_455
O8 K1 K5 40.42(15) 3_455 3_455
O26B K1 K5 60.4(4) . 3_455
O15 K1 K5 114.77(14) . 3_455
O1 K1 K5 114.80(14) . 3_455
O12 K1 K5 132.50(15) 7_556 3_455
O17 K1 K5 59.12(13) . 3_455
O26A K1 K5 52.5(2) . 3_455
C10 K1 K5 59.33(18) 3_455 3_455
Ni1 K1 K5 98.05(7) . 3_455
K3 K1 K5 123.85(8) 3_455 3_455
O8 K1 K4 124.08(17) 3_455 7_556
O26B K1 K4 42.5(4) . 7_556
O15 K1 K4 129.05(14) . 7_556
O1 K1 K4 68.85(13) . 7_556
O12 K1 K4 77.39(13) 7_556 7_556
O17 K1 K4 108.84(14) . 7_556
O26A K1 K4 49.7(2) . 7_556
C10 K1 K4 135.78(18) 3_455 7_556
Ni1 K1 K4 105.02(7) . 7_556
K3 K1 K4 121.82(7) 3_455 7_556
K5 K1 K4 100.91(8) 3_455 7_556
O2 K2 O4 72.5(2) 5_666 5_666
O2 K2 O19 166.3(2) 5_666 2_656
O4 K2 O19 104.8(2) 5_666 2_656
O2 K2 O14 78.1(2) 5_666 3
O4 K2 O14 108.3(2) 5_666 3
O19 K2 O14 90.3(2) 2_656 3
O2 K2 O3 124.4(2) 5_666 .
O4 K2 O3 84.0(2) 5_666 .
O19 K2 O3 67.78(19) 2_656 .
O14 K2 O3 157.32(19) 3 .
O2 K2 O5 122.6(2) 5_666 .
O4 K2 O5 147.4(2) 5_666 .
O19 K2 O5 66.99(18) 2_656 .
O14 K2 O5 103.36(18) 3 .
O3 K2 O5 63.50(17) . .
O2 K2 O31 72.7(2) 5_666 .
O4 K2 O31 92.2(2) 5_666 .
O19 K2 O31 121.0(2) 2_656 .
O14 K2 O31 137.1(2) 3 .
O3 K2 O31 58.3(2) . .
O5 K2 O31 68.9(2) . .
O2 K2 O40B 114.2(7) 5_666 3
O4 K2 O40B 53.8(6) 5_666 3
O19 K2 O40B 56.7(6) 2_656 3
O14 K2 O40B 84.9(7) 3 3
O3 K2 O40B 87.7(8) . 3
O5 K2 O40B 123.2(7) . 3
O31 K2 O40B 135.7(7) . 3
O2 K2 Ni2 154.57(18) 5_666 .
O4 K2 Ni2 114.74(16) 5_666 .
O19 K2 Ni2 38.95(14) 2_656 .
O14 K2 Ni2 118.97(15) 3 .
O3 K2 Ni2 39.13(12) . .
O5 K2 Ni2 39.11(13) . .
O31 K2 Ni2 82.45(16) . .
O40B K2 Ni2 87.4(7) 3 .
O2 K2 O35B 122.7(5) 5_666 .
O4 K2 O35B 54.5(5) 5_666 .
O19 K2 O35B 51.0(5) 2_656 .
O14 K2 O35B 97.6(6) 3 .
O3 K2 O35B 73.6(6) . .
O5 K2 O35B 114.0(5) . .
O31 K2 O35B 124.5(6) . .
O40B K2 O35B 14.0(7) 3 .
Ni2 K2 O35B 76.1(5) . .
O2 K2 C19 72.8(2) 5_666 3
O4 K2 C19 121.0(2) 5_666 3
O19 K2 C19 98.2(2) 2_656 3
O14 K2 C19 17.93(18) 3 3
O3 K2 C19 154.4(2) . 3
O5 K2 C19 91.6(2) . 3
O31 K2 C19 120.3(2) . 3
O40B K2 C19 102.7(7) 3 3
Ni2 K2 C19 117.12(16) . 3
O35B K2 C19 115.1(6) . 3
O2 K2 K4 58.86(15) 5_666 3
O4 K2 K4 127.26(16) 5_666 3
O19 K2 K4 127.25(15) 2_656 3
O14 K2 K4 81.77(14) 3 3
O3 K2 K4 106.28(14) . 3
O5 K2 K4 64.53(13) . 3
O31 K2 K4 56.33(17) . 3
O40B K2 K4 166.0(8) 3 3
Ni2 K2 K4 102.68(7) . 3
O35B K2 K4 178.2(4) . 3
C19 K2 K4 64.21(16) 3 3
O10 K3 O12 74.03(19) 5_656 5_656
O10 K3 O16 121.0(2) 5_656 3_545
O12 K3 O16 102.1(2) 5_656 3_545
O10 K3 O21 109.44(19) 5_656 .
O12 K3 O21 160.4(2) 5_656 .
O16 K3 O21 92.61(18) 3_545 .
O10 K3 O9 74.35(18) 5_656 .
O12 K3 O9 95.20(19) 5_656 .
O16 K3 O9 159.44(19) 3_545 .
O21 K3 O9 68.18(18) . .
O10 K3 O7 133.8(2) 5_656 .
O12 K3 O7 96.77(19) 5_656 .
O16 K3 O7 105.19(18) 3_545 .
O21 K3 O7 66.52(18) . .
O9 K3 O7 61.26(17) . .
O10 K3 O38B 61.5(4) 5_656 .
O12 K3 O38B 135.5(4) 5_656 .
O16 K3 O38B 98.8(4) 3_545 .
O21 K3 O38B 52.7(4) . .
O9 K3 O38B 75.8(4) . .
O7 K3 O38B 114.9(4) . .
O10 K3 Ni3 108.26(15) 5_656 .
O12 K3 Ni3 121.38(16) 5_656 .
O16 K3 Ni3 121.34(14) 3_545 .
O21 K3 Ni3 39.00(13) . .
O9 K3 Ni3 38.34(12) . .
O7 K3 Ni3 38.51(12) . .
O38B K3 Ni3 77.4(4) . .
O10 K3 O33 53.6(2) 5_656 5_656
O12 K3 O33 89.5(2) 5_656 5_656
O16 K3 O33 67.7(2) 3_545 5_656
O21 K3 O33 108.2(2) . 5_656
O9 K3 O33 124.0(2) . 5_656
O7 K3 O33 171.5(2) . 5_656
O38B K3 O33 63.1(4) . 5_656
Ni3 K3 O33 140.51(18) . 5_656
O10 K3 C20 132.9(2) 5_656 3_545
O12 K3 C20 91.9(2) 5_656 3_545
O16 K3 C20 18.24(19) 3_545 3_545
O21 K3 C20 98.6(2) . 3_545
O9 K3 C20 152.6(2) . 3_545
O7 K3 C20 91.7(2) . 3_545
O38B K3 C20 116.1(4) . 3_545
Ni3 K3 C20 117.13(16) . 3_545
O33 K3 C20 82.3(2) 5_656 3_545
O10 K3 K1 122.44(15) 5_656 3_545
O12 K3 K1 48.46(13) 5_656 3_545
O16 K3 K1 79.09(14) 3_545 3_545
O21 K3 K1 123.82(14) . 3_545
O9 K3 K1 104.96(14) . 3_545
O7 K3 K1 62.72(13) . 3_545
O38B K3 K1 176.0(4) . 3_545
Ni3 K3 K1 100.70(7) . 3_545
O33 K3 K1 118.69(18) 5_656 3_545
C20 K3 K1 61.46(16) 3_545 3_545
O10 K3 K8A 67.31(17) 5_656 .
O12 K3 K8A 48.60(16) 5_656 .
O16 K3 K8A 148.64(17) 3_545 .
O21 K3 K8A 113.82(15) . .
O9 K3 K8A 46.61(14) . .
O7 K3 K8A 72.94(15) . .
O38B K3 K8A 110.4(4) . .
Ni3 K3 K8A 77.34(8) . .
O33 K3 K8A 115.6(2) 5_656 .
C20 K3 K8A 133.13(19) 3_545 .
K1 K3 K8A 72.32(10) 3_545 .
O6 K4 O26B 95.8(4) 3_445 7_556
O6 K4 O13 101.8(2) 3_445 .
O26B K4 O13 156.9(4) 7_556 .
O6 K4 O29B 77.7(4) 3_445 3_445
O26B K4 O29B 48.9(5) 7_556 3_445
O13 K4 O29B 120.8(3) . 3_445
O6 K4 O11 138.70(19) 3_445 .
O26B K4 O11 92.1(4) 7_556 .
O13 K4 O11 64.73(17) . .
O29B K4 O11 77.5(3) 3_445 .
O6 K4 O23 77.92(18) 3_445 2_656
O26B K4 O23 107.1(5) 7_556 2_656
O13 K4 O23 62.92(17) . 2_656
O29B K4 O23 59.1(3) 3_445 2_656
O11 K4 O23 61.04(16) . 2_656
O6 K4 O26A 96.2(3) 3_445 7_556
O26B K4 O26A 19.9(4) 7_556 7_556
O13 K4 O26A 161.3(3) . 7_556
O29B K4 O26A 67.9(4) 3_445 7_556
O11 K4 O26A 104.2(3) . 7_556
O23 K4 O26A 126.8(3) 2_656 7_556
O6 K4 O2 126.61(19) 3_445 7_556
O26B K4 O2 101.0(5) 7_556 7_556
O13 K4 O2 80.39(18) . 7_556
O29B K4 O2 146.3(3) 3_445 7_556
O11 K4 O2 91.07(17) . 7_556
O23 K4 O2 140.42(18) 2_656 7_556
O26A K4 O2 84.9(3) 7_556 7_556
O6 K4 O31 68.7(2) 3_445 3_445
O26B K4 O31 79.9(4) 7_556 3_445
O13 K4 O31 120.4(2) . 3_445
O29B K4 O31 114.3(4) 3_445 3_445
O11 K4 O31 152.4(2) . 3_445
O23 K4 O31 146.53(19) 2_656 3_445
O26A K4 O31 62.1(3) 7_556 3_445
O2 K4 O31 65.1(2) 7_556 3_445
O6 K4 C9 19.34(19) 3_445 3_445
O26B K4 C9 108.5(4) 7_556 3_445
O13 K4 C9 92.6(2) . 3_445
O29B K4 C9 97.0(4) 3_445 3_445
O11 K4 C9 147.4(2) . 3_445
O23 K4 C9 88.3(2) 2_656 3_445
O26A K4 C9 103.1(3) 7_556 3_445
O2 K4 C9 108.7(2) 7_556 3_445
O31 K4 C9 58.9(2) 3_445 3_445
O6 K4 O5 40.43(17) 3_445 3_445
O26B K4 O5 127.5(4) 7_556 3_445
O13 K4 O5 75.13(16) . 3_445
O29B K4 O5 117.4(3) 3_445 3_445
O11 K4 O5 138.50(16) . 3_445
O23 K4 O5 92.14(16) 2_656 3_445
O26A K4 O5 117.3(3) 7_556 3_445
O2 K4 O5 92.29(16) 7_556 3_445
O31 K4 O5 60.39(17) 3_445 3_445
C9 K4 O5 21.99(18) 3_445 3_445
O6 K4 Ni4 108.98(16) 3_445 .
O26B K4 Ni4 122.7(4) 7_556 .
O13 K4 Ni4 36.73(13) . .
O29B K4 Ni4 86.4(3) 3_445 .
O11 K4 Ni4 37.10(11) . .
O23 K4 Ni4 37.43(12) 2_656 .
O26A K4 Ni4 139.3(2) 7_556 .
O2 K4 Ni4 103.44(13) 7_556 .
O31 K4 Ni4 157.11(17) 3_445 .
C9 K4 Ni4 111.23(16) 3_445 .
O5 K4 Ni4 102.37(11) 3_445 .
O24B K5 O8 137.9(3) 4_656 .
O24B K5 O6 90.1(3) 4_656 .
O8 K5 O6 71.0(2) . .
O24B K5 O18 79.2(3) 4_656 3_545
O8 K5 O18 94.1(3) . 3_545
O6 K5 O18 143.7(3) . 3_545
O24B K5 O29B 91.9(4) 4_656 .
O8 K5 O29B 118.7(4) . .
O6 K5 O29B 77.8(4) . .
O18 K5 O29B 136.4(4) 3_545 .
O24B K5 O24A 19.6(3) 4_656 4_656
O8 K5 O24A 156.0(4) . 4_656
O6 K5 O24A 104.2(4) . 4_656
O18 K5 O24A 75.8(4) 3_545 4_656
O29B K5 O24A 81.8(5) . 4_656
O24B K5 O29A 76.7(10) 4_656 .
O8 K5 O29A 142.4(10) . .
O6 K5 O29A 100.7(10) . .
O18 K5 O29A 110.1(10) 3_545 .
O29B K5 O29A 27.6(9) . .
O24A K5 O29A 61.1(10) 4_656 .
O24B K5 O26A 141.8(3) 4_656 3_545
O8 K5 O26A 80.0(3) . 3_545
O6 K5 O26A 113.1(3) . 3_545
O18 K5 O26A 95.7(3) 3_545 3_545
O29B K5 O26A 65.8(4) . 3_545
O24A K5 O26A 122.3(4) 4_656 3_545
O29A K5 O26A 69.6(10) . 3_545
O24B K5 O37A 117.2(5) 4_656 .
O8 K5 O37A 98.9(4) . .
O6 K5 O37A 142.5(4) . .
O18 K5 O37A 70.8(4) 3_545 .
O29B K5 O37A 76.1(5) . .
O24A K5 O37A 98.2(5) 4_656 .
O29A K5 O37A 64.8(11) . .
O26A K5 O37A 30.4(4) 3_545 .
O24B K5 C30 19.6(3) 4_656 4_656
O8 K5 C30 145.7(3) . 4_656
O6 K5 C30 81.5(2) . 4_656
O18 K5 C30 96.4(3) 3_545 4_656
O29B K5 C30 73.0(4) . 4_656
O24A K5 C30 23.0(4) 4_656 4_656
O29A K5 C30 61.6(9) . 4_656
O26A K5 C30 131.0(3) 3_545 4_656
O37A K5 C30 115.4(4) . 4_656
O24B K5 C23 97.8(3) 4_656 3_545
O8 K5 C23 81.2(2) . 3_545
O6 K5 C23 145.8(2) . 3_545
O18 K5 C23 18.7(2) 3_545 3_545
O29B K5 C23 134.6(4) . 3_545
O24A K5 C23 93.0(4) 4_656 3_545
O29A K5 C23 113.5(10) . 3_545
O26A K5 C23 80.1(3) 3_545 3_545
O37A K5 C23 60.0(4) . 3_545
C30 K5 C23 114.5(3) 4_656 3_545
O24B K5 K10B 43.2(2) 4_656 3_545
O8 K5 K10B 132.8(2) . 3_545
O6 K5 K10B 132.2(2) . 3_545
O18 K5 K10B 41.08(18) 3_545 3_545
O29B K5 K10B 107.3(3) . 3_545
O24A K5 K10B 35.0(3) 4_656 3_545
O29A K5 K10B 80.6(9) . 3_545
O26A K5 K10B 112.0(3) 3_545 3_545
O37A K5 K10B 81.7(4) . 3_545
C30 K5 K10B 56.8(2) 4_656 3_545
C23 K5 K10B 58.07(17) 3_545 3_545
K6B K6A O20B 107.4(6) . 4_546
K6B K6A O22A 103.1(6) . 3_455
O20B K6A O22A 91.9(5) 4_546 3_455
K6B K6A O14 82.4(5) . .
O20B K6A O14 100.2(4) 4_546 .
O22A K6A O14 164.6(4) 3_455 .
K6B K6A O40A 16.4(8) . .
O20B K6A O40A 92.2(8) 4_546 .
O22A K6A O40A 98.1(7) 3_455 .
O14 K6A O40A 90.9(7) . .
K6B K6A O16 76.1(4) . .
O20B K6A O16 166.6(4) 4_546 .
O22A K6A O16 99.9(4) 3_455 .
O14 K6A O16 67.1(2) . .
O40A K6A O16 92.2(7) . .
K6B K6A O22B 95.3(5) . 3_455
O20B K6A O22B 84.7(4) 4_546 3_455
O22A K6A O22B 12.7(4) 3_455 3_455
O14 K6A O22B 175.0(4) . 3_455
O40A K6A O22B 87.9(7) . 3_455
O16 K6A O22B 108.0(3) . 3_455
K6B K6A O20A 99.4(5) . 4_546
O20B K6A O20A 11.7(4) 4_546 4_546
O22A K6A O20A 85.4(5) 3_455 4_546
O14 K6A O20A 108.0(4) . 4_546
O40A K6A O20A 83.5(8) . 4_546
O16 K6A O20A 173.6(4) . 4_546
O22B K6A O20A 76.7(5) 3_455 4_546
K6B K6A O28A 140.9(6) . .
O20B K6A O28A 104.9(5) 4_546 .
O22A K6A O28A 54.1(5) 3_455 .
O14 K6A O28A 112.9(4) . .
O40A K6A O28A 146.9(7) . .
O16 K6A O28A 77.6(4) . .
O22B K6A O28A 66.3(5) 3_455 .
O20A K6A O28A 108.5(5) 4_546 .
K6B K6A O30 152.5(6) . 4_546
O20B K6A O30 59.0(5) 4_546 4_546
O22A K6A O30 101.3(5) 3_455 4_546
O14 K6A O30 77.4(3) . 4_546
O40A K6A O30 145.5(8) . 4_546
O16 K6A O30 112.0(4) . 4_546
O22B K6A O30 106.2(4) 3_455 4_546
O20A K6A O30 69.9(5) 4_546 4_546
O28A K6A O30 65.6(5) . 4_546
K6B K6A O40B 34.8(8) . .
O20B K6A O40B 72.7(8) 4_546 .
O22A K6A O40B 106.5(7) 3_455 .
O14 K6A O40B 86.3(6) . .
O40A K6A O40B 21.2(7) . .
O16 K6A O40B 109.3(7) . .
O22B K6A O40B 94.3(7) 3_455 .
O20A K6A O40B 65.5(7) 4_546 .
O28A K6A O40B 160.6(7) . .
O30 K6A O40B 124.4(8) 4_546 .
K6B K6A C25 98.1(5) . 4_546
O20B K6A C25 15.9(3) 4_546 4_546
O22A K6A C25 106.8(4) 3_455 4_546
O14 K6A C25 86.3(2) . 4_546
O40A K6A C25 84.8(7) . 4_546
O16 K6A C25 153.2(3) . 4_546
O22B K6A C25 98.5(4) 3_455 4_546
O20A K6A C25 21.8(3) 4_546 4_546
O28A K6A C25 117.9(4) . 4_546
O30 K6A C25 62.4(4) 4_546 4_546
O40B K6A C25 63.8(7) . 4_546
K6A K6B O40A 155.4(11) . .
K6A K6B O40B 133.3(10) . .
O40A K6B O40B 26.5(10) . .
K6A K6B O16 84.1(5) . .
O40A K6B O16 120.2(10) . .
O40B K6B O16 139.6(8) . .
K6A K6B O14 77.7(4) . .
O40A K6B O14 113.8(9) . .
O40B K6B O14 101.7(8) . .
O16 K6B O14 67.5(2) . .
K6A K6B O22A 57.6(5) . 3_455
O40A K6B O22A 112.8(10) . 3_455
O40B K6B O22A 118.3(8) . 3_455
O16 K6B O22A 92.9(4) . 3_455
O14 K6B O22A 133.2(4) . 3_455
K6A K6B O20B 54.0(5) . 4_546
O40A K6B O20B 102.9(10) . 4_546
O40B K6B O20B 79.4(9) . 4_546
O16 K6B O20B 136.2(4) . 4_546
O14 K6B O20B 89.4(3) . 4_546
O22A K6B O20B 76.1(4) 3_455 4_546
K6A K6B O22B 66.6(5) . 3_455
O40A K6B O22B 101.0(10) . 3_455
O40B K6B O22B 105.8(8) . 3_455
O16 K6B O22B 103.3(3) . 3_455
O14 K6B O22B 144.0(3) . 3_455
O22A K6B O22B 12.7(3) 3_455 3_455
O20B K6B O22B 73.5(4) 4_546 3_455
K6A K6B O20A 63.3(5) . 4_546
O40A K6B O20A 92.7(10) . 4_546
O40B K6B O20A 71.0(8) . 4_546
O16 K6B O20A 147.1(4) . 4_546
O14 K6B O20A 99.3(3) . 4_546
O22A K6B O20A 74.1(4) 3_455 4_546
O20B K6B O20A 11.9(3) 4_546 4_546
O22B K6B O20A 69.0(4) 3_455 4_546
K6A K6B O38B 133.5(6) . 3_455
O40A K6B O38B 43.6(10) . 3_455
O40B K6B O38B 66.2(9) . 3_455
O16 K6B O38B 101.2(4) . 3_455
O14 K6B O38B 147.1(4) . 3_455
O22A K6B O38B 75.9(5) 3_455 3_455
O20B K6B O38B 116.2(5) 4_546 3_455
O22B K6B O38B 67.2(5) 3_455 3_455
O20A K6B O38B 104.6(5) 4_546 3_455
K6A K6B O33 152.0(5) . 7_556
O40A K6B O33 52.0(10) . 7_556
O40B K6B O33 68.8(8) . 7_556
O16 K6B O33 71.0(2) . 7_556
O14 K6B O33 81.0(2) . 7_556
O22A K6B O33 134.1(4) 3_455 7_556
O20B K6B O33 143.9(3) 4_546 7_556
O22B K6B O33 130.6(3) 3_455 7_556
O20A K6B O33 138.9(4) 4_546 7_556
O38B K6B O33 66.2(4) 3_455 7_556
K6A K6B O35B 125.6(7) . 3_445
O40A K6B O35B 33.8(10) . 3_445
O40B K6B O35B 7.7(10) . 3_445
O16 K6B O35B 146.0(5) . 3_445
O14 K6B O35B 100.2(5) . 3_445
O22A K6B O35B 116.2(6) 3_455 3_445
O20B K6B O35B 71.8(5) 4_546 3_445
O22B K6B O35B 103.9(6) 3_455 3_445
O20A K6B O35B 63.6(5) 4_546 3_445
O38B K6B O35B 71.5(6) 3_455 3_445
O33 K6B O35B 75.8(5) 7_556 3_445
K7B K7A O28A 74.7(4) . .
K7B K7A O15 139.4(2) . .
O28A K7A O15 87.3(4) . .
K7B K7A O7 134.1(2) . 3_455
O28A K7A O7 122.3(4) . 3_455
O15 K7A O7 86.29(19) . 3_455
K7B K7A O30 58.9(3) . .
O28A K7A O30 133.6(4) . .
O15 K7A O30 128.8(3) . .
O7 K7A O30 91.8(3) 3_455 .
K7B K7A O28B 58.1(4) . .
O28A K7A O28B 16.8(5) . .
O15 K7A O28B 102.1(4) . .
O7 K7A O28B 130.5(4) 3_455 .
O30 K7A O28B 116.9(5) . .
K7B K7A C26 77.88(19) . 3_455
O28A K7A C26 66.8(4) . 3_455
O15 K7A C26 128.0(2) . 3_455
O7 K7A C26 73.1(2) 3_455 3_455
O30 K7A C26 99.8(3) . 3_455
O28B K7A C26 63.3(4) . 3_455
K7B K7A C21 80.1(2) . .
O28A K7A C21 110.2(4) . .
O15 K7A C21 72.4(2) . .
O7 K7A C21 121.9(2) 3_455 .
O30 K7A C21 65.6(3) . .
O28B K7A C21 107.0(4) . .
C26 K7A C21 157.7(2) 3_455 .
K7B K7A C20 133.3(2) . .
O28A K7A C20 68.8(4) . .
O15 K7A C20 19.81(18) . .
O7 K7A C20 90.8(2) 3_455 .
O30 K7A C20 147.9(3) . .
O28B K7A C20 84.5(4) . .
C26 K7A C20 111.6(2) 3_455 .
C21 K7A C20 86.1(2) . .
K7B K7A K3 153.17(18) . 3_455
O28A K7A K3 88.2(4) . 3_455
O15 K7A K3 57.70(13) . 3_455
O7 K7A K3 42.17(13) 3_455 3_455
O30 K7A K3 133.5(3) . 3_455
O28B K7A K3 102.8(4) . 3_455
C26 K7A K3 76.39(16) 3_455 3_455
C21 K7A K3 125.88(18) . 3_455
C20 K7A K3 52.97(15) . 3_455
K7B K7A K1 154.23(18) . .
O28A K7A K1 123.9(4) . .
O15 K7A K1 39.92(13) . .
O7 K7A K1 54.99(14) 3_455 .
O30 K7A K1 100.8(3) . .
O28B K7A K1 140.3(4) . .
C26 K7A K1 124.20(17) 3_455 .
C21 K7A K1 76.61(16) . .
C20 K7A K1 55.92(16) . .
K3 K7A K1 52.29(6) 3_455 .
K7B K7A K6A 107.23(16) . .
O28A K7A K6A 33.7(4) . .
O15 K7A K6A 67.77(15) . .
O7 K7A K6A 92.67(17) 3_455 .
O30 K7A K6A 163.2(3) . .
O28B K7A K6A 49.4(4) . .
C26 K7A K6A 66.21(18) 3_455 .
C21 K7A K6A 124.44(18) . .
C20 K7A K6A 48.22(17) . .
K3 K7A K6A 54.71(8) 3_455 .
K1 K7A K6A 95.02(10) . .
K7A K7B O5 134.53(19) . 2_656
K7A K7B O13 139.80(19) . 4_556
O5 K7B O13 85.59(19) 2_656 4_556
K7A K7B O28B 71.0(4) . .
O5 K7B O28B 88.8(4) 2_656 .
O13 K7B O28B 121.1(4) 4_556 .
K7A K7B O30 69.8(3) . .
O5 K7B O30 122.6(4) 2_656 .
O13 K7B O30 87.4(4) 4_556 .
O28B K7B O30 140.6(5) . .
K7A K7B C29 78.6(2) . 3_455
O5 K7B C29 128.2(2) 2_656 3_455
O13 K7B C29 75.7(2) 4_556 3_455
O28B K7B C29 62.9(4) . 3_455
O30 K7B C29 104.5(4) . 3_455
K7A K7B O28A 52.9(3) . .
O5 K7B O28A 100.7(3) 2_656 .
O13 K7B O28A 135.3(4) 4_556 .
O28B K7B O28A 18.3(4) . .
O30 K7B O28A 122.7(4) . .
C29 K7B O28A 65.6(4) 3_455 .
K7A K7B N12 87.14(17) . 3_455
O5 K7B N12 133.2(2) 2_656 3_455
O13 K7B N12 58.17(18) 4_556 3_455
O28B K7B N12 86.6(4) . 3_455
O30 K7B N12 87.1(3) . 3_455
C29 K7B N12 23.81(18) 3_455 3_455
O28A K7B N12 88.6(3) . 3_455
K7A K7B C9 127.9(2) . 2_656
O5 K7B C9 20.65(19) 2_656 2_656
O13 K7B C9 90.2(2) 4_556 2_656
O28B K7B C9 69.4(4) . 2_656
O30 K7B C9 143.1(4) . 2_656
C29 K7B C9 110.5(2) 3_455 2_656
O28A K7B C9 83.3(4) . 2_656
N12 K7B C9 122.2(2) 3_455 2_656
K7A K7B C24 78.02(19) . .
O5 K7B C24 71.6(2) 2_656 .
O13 K7B C24 122.5(2) 4_556 .
O28B K7B C24 110.7(4) . .
O30 K7B C24 65.1(4) . .
C29 K7B C24 156.5(2) 3_455 .
O28A K7B C24 101.1(4) . .
N12 K7B C24 151.5(2) 3_455 .
C9 K7B C24 85.7(2) 2_656 .
K7A K7B C19 131.1(2) . 4_556
O5 K7B C19 90.1(2) 2_656 4_556
O13 K7B C19 20.27(19) 4_556 4_556
O28B K7B C19 141.1(4) . 4_556
O30 K7B C19 68.5(4) . 4_556
C29 K7B C19 88.2(2) 3_455 4_556
O28A K7B C19 153.0(4) . 4_556
N12 K7B C19 66.5(2) 3_455 4_556
C9 K7B C19 100.9(2) 2_656 4_556
C24 K7B C19 105.8(2) . 4_556
K7A K7B C30 96.3(2) . 3_455
O5 K7B C30 103.5(2) 2_656 3_455
O13 K7B C30 71.5(2) 4_556 3_455
O28B K7B C30 53.1(4) . 3_455
O30 K7B C30 127.6(4) . 3_455
C29 K7B C30 24.8(2) 3_455 3_455
O28A K7B C30 64.0(4) . 3_455
N12 K7B C30 40.9(2) 3_455 3_455
C9 K7B C30 85.9(2) 2_656 3_455
C24 K7B C30 163.7(2) . 3_455
C19 K7B C30 89.5(2) 4_556 3_455
O38B K8A O9 111.7(5) 5_656 .
O38B K8A O36A 59.3(5) 5_656 .
O9 K8A O36A 135.0(4) . .
O38B K8A O38A 17.8(5) 5_656 5_656
O9 K8A O38A 129.0(5) . 5_656
O36A K8A O38A 52.2(5) . 5_656
O38B K8A O12 125.7(5) 5_656 5_656
O9 K8A O12 92.7(2) . 5_656
O36A K8A O12 129.6(4) . 5_656
O38A K8A O12 115.1(4) 5_656 5_656
O38B K8A K8B 111.3(5) 5_656 .
O9 K8A K8B 118.2(3) . .
O36A K8A K8B 52.1(3) . .
O38A K8A K8B 101.0(4) 5_656 .
O12 K8A K8B 96.2(3) 5_656 .
O38B K8A O36B 52.6(6) 5_656 .
O9 K8A O36B 147.8(5) . .
O36A K8A O36B 15.5(4) . .
O38A K8A O36B 41.2(5) 5_656 .
O12 K8A O36B 119.4(4) 5_656 .
K8B K8A O36B 59.9(4) . .
O38B K8A O10 65.9(5) 5_656 .
O9 K8A O10 45.77(18) . .
O36A K8A O10 106.2(3) . .
O38A K8A O10 83.5(4) 5_656 .
O12 K8A O10 121.4(2) 5_656 .
K8B K8A O10 136.3(3) . .
O36B K8A O10 110.4(4) . .
O38B K8A C14 88.6(5) 5_656 .
O9 K8A C14 23.2(2) . .
O36A K8A C14 121.0(4) . .
O38A K8A C14 106.2(5) 5_656 .
O12 K8A C14 109.4(2) 5_656 .
K8B K8A C14 129.1(3) . .
O36B K8A C14 129.3(5) . .
O10 K8A C14 22.72(18) . .
O38B K8A C15 106.2(5) 5_656 5_656
O9 K8A C15 108.4(2) . 5_656
O36A K8A C15 116.5(4) . 5_656
O38A K8A C15 94.6(4) 5_656 5_656
O12 K8A C15 20.59(18) 5_656 5_656
K8B K8A C15 99.7(3) . 5_656
O36B K8A C15 103.4(4) . 5_656
O10 K8A C15 123.5(3) . 5_656
C14 K8A C15 119.7(3) . 5_656
O38B K8A K3 134.9(5) 5_656 .
O9 K8A K3 47.53(15) . .
O36A K8A K3 165.7(4) . .
O38A K8A K3 140.6(4) 5_656 .
O12 K8A K3 45.23(14) 5_656 .
K8B K8A K3 113.6(3) . .
O36B K8A K3 164.3(4) . .
O10 K8A K3 84.20(16) . .
C14 K8A K3 66.23(19) . .
C15 K8A K3 62.42(17) 5_656 .
O38B K8A K1 155.5(5) 5_656 3_545
O9 K8A K1 89.98(18) . 3_545
O36A K8A K1 113.3(3) . 3_545
O38A K8A K1 138.3(4) 5_656 3_545
O12 K8A K1 38.05(14) 5_656 3_545
K8B K8A K1 64.4(2) . 3_545
O36B K8A K1 113.5(4) . 3_545
O10 K8A K1 135.02(18) . 3_545
C14 K8A K1 113.1(2) . 3_545
C15 K8A K1 53.93(17) 5_656 3_545
K3 K8A K1 53.61(8) . 3_545
O36A K8B K8A 61.2(4) . .
O36A K8B O36B 14.2(4) . .
K8A K8B O36B 61.1(4) . .
O36A K8B O31 62.3(4) . .
K8A K8B O31 112.6(4) . .
O36B K8B O31 72.4(5) . .
O36A K8B O29B 88.5(5) . 7_656
K8A K8B O29B 89.5(4) . 7_656
O36B K8B O29B 74.3(5) . 7_656
O31 K8B O29B 122.4(4) . 7_656
O36A K8B O8 143.1(5) . .
K8A K8B O8 86.2(3) . .
O36B K8B O8 147.2(5) . .
O31 K8B O8 124.0(4) . .
O29B K8B O8 109.3(4) 7_656 .
O36A K8B O6 126.9(5) . .
K8A K8B O6 130.4(4) . .
O36B K8B O6 139.3(5) . .
O31 K8B O6 67.5(3) . .
O29B K8B O6 134.5(5) 7_656 .
O8 K8B O6 61.2(3) . .
O36A K8B O29A 61.9(10) . 7_656
K8A K8B O29A 72.3(10) . 7_656
O36B K8B O29A 47.7(10) . 7_656
O31 K8B O29A 109.0(10) . 7_656
O29B K8B O29A 27.2(9) 7_656 7_656
O8 K8B O29A 127.0(10) . 7_656
O6 K8B O29A 157.2(10) . 7_656
O36A K8B O26A 83.7(4) . 5_666
K8A K8B O26A 137.6(4) . 5_666
O36B K8B O26A 79.0(5) . 5_666
O31 K8B O26A 63.4(3) . 5_666
O29B K8B O26A 65.0(4) 7_656 5_666
O8 K8B O26A 132.9(5) . 5_666
O6 K8B O26A 89.0(4) . 5_666
O29A K8B O26A 70.3(10) 7_656 5_666
O36A K8B O26B 131.7(6) . 3_545
K8A K8B O26B 105.5(4) . 3_545
O36B K8B O26B 117.5(6) . 3_545
O31 K8B O26B 139.5(5) . 3_545
O29B K8B O26B 43.4(5) 7_656 3_545
O8 K8B O26B 70.5(4) . 3_545
O6 K8B O26B 97.8(5) . 3_545
O29A K8B O26B 69.8(10) 7_656 3_545
O26A K8B O26B 79.5(5) 5_666 3_545
O36A K8B O26B 102.0(5) . 5_666
K8A K8B O26B 151.3(5) . 5_666
O36B K8B O26B 96.8(6) . 5_666
O31 K8B O26B 73.1(4) . 5_666
O29B K8B O26B 65.7(5) 7_656 5_666
O8 K8B O26B 114.7(5) . 5_666
O6 K8B O26B 78.2(4) . 5_666
O29A K8B O26B 79.2(10) 7_656 5_666
O26A K8B O26B 18.3(3) 5_666 5_666
O26B K8B O26B 66.9(6) 3_545 5_666
O36A K8B C10 123.2(5) . .
K8A K8B C10 71.8(3) . .
O36B K8B C10 130.1(6) . .
O31 K8B C10 115.1(3) . .
O29B K8B C10 122.4(4) 7_656 .
O8 K8B C10 20.66(19) . .
O6 K8B C10 65.4(3) . .
O29A K8B C10 130.9(10) 7_656 .
O26A K8B C10 150.3(5) 5_666 .
O26B K8B C10 89.0(5) 3_545 .
O26B K8B C10 133.1(5) 5_666 .
O33 K9 O25 116.1(3) . .
O33 K9 O25 152.9(3) . 7_556
O25 K9 O25 74.3(2) . 7_556
O33 K9 O14 90.2(3) . 7_556
O25 K9 O14 135.53(18) . 7_556
O25 K9 O14 98.74(18) 7_556 7_556
O33 K9 O16 77.9(3) . 7_556
O25 K9 O16 86.21(18) . 7_556
O25 K9 O16 128.93(18) 7_556 7_556
O14 K9 O16 63.89(18) 7_556 7_556
O33 K9 O2 88.8(2) . .
O25 K9 O2 138.54(19) . .
O25 K9 O2 70.23(18) 7_556 .
O14 K9 O2 71.68(17) 7_556 .
O16 K9 O2 133.26(18) 7_556 .
O33 K9 C19 112.7(3) . 7_556
O25 K9 C19 119.0(2) . 7_556
O25 K9 C19 78.8(2) 7_556 7_556
O14 K9 C19 22.44(18) 7_556 7_556
O16 K9 C19 70.4(2) 7_556 7_556
O2 K9 C19 74.2(2) . 7_556
O33 K9 C17 128.8(3) . 7_556
O25 K9 C17 92.8(2) . 7_556
O25 K9 C17 72.22(19) 7_556 7_556
O14 K9 C17 44.92(19) 7_556 7_556
O16 K9 C17 61.97(19) 7_556 7_556
O2 K9 C17 96.1(2) . 7_556
C19 K9 C17 26.4(2) 7_556 7_556
O33 K9 C20 99.6(3) . 7_556
O25 K9 C20 71.4(2) . 7_556
O25 K9 C20 107.5(2) 7_556 7_556
O14 K9 C20 69.2(2) 7_556 7_556
O16 K9 C20 22.37(18) 7_556 7_556
O2 K9 C20 140.0(2) . 7_556
C19 K9 C20 66.4(2) 7_556 7_556
C17 K9 C20 48.8(2) 7_556 7_556
O33 K9 C18 121.8(3) . 7_556
O25 K9 C18 74.83(19) . 7_556
O25 K9 C18 84.5(2) 7_556 7_556
O14 K9 C18 60.73(19) 7_556 7_556
O16 K9 C18 44.6(2) 7_556 7_556
O2 K9 C18 121.3(2) . 7_556
C19 K9 C18 48.7(2) 7_556 7_556
C17 K9 C18 25.2(2) 7_556 7_556
C20 K9 C18 25.7(2) 7_556 7_556
O33 K9 C4 89.4(3) . .
O25 K9 C4 120.7(2) . .
O25 K9 C4 64.8(2) 7_556 .
O14 K9 C4 92.9(2) 7_556 .
O16 K9 C4 153.1(2) 7_556 .
O2 K9 C4 21.21(18) . .
C19 K9 C4 93.5(2) 7_556 .
C17 K9 C4 111.9(2) 7_556 .
C20 K9 C4 159.8(2) 7_556 .
C18 K9 C4 136.5(2) 7_556 .
O33 K9 K6B 54.0(3) . 7_556
O25 K9 K6B 126.93(16) . 7_556
O25 K9 K6B 141.52(15) 7_556 7_556
O14 K9 K6B 42.94(14) 7_556 7_556
O16 K9 K6B 42.09(14) 7_556 7_556
O2 K9 K6B 94.44(14) . 7_556
C19 K9 K6B 62.97(18) 7_556 7_556
C17 K9 K6B 74.80(17) 7_556 7_556
C20 K9 K6B 61.72(18) 7_556 7_556
C18 K9 K6B 73.58(18) 7_556 7_556
C4 K9 K6B 111.63(18) . 7_556
K10B K10A O20A 129.6(9) . .
K10B K10A O22B 113.6(8) . 2_666
O20A K10A O22B 96.3(6) . 2_666
K10B K10A O41B 130.9(12) . .
O20A K10A O41B 64.7(9) . .
O22B K10A O41B 109.6(10) 2_666 .
K10B K10A O20B 123.6(8) . .
O20A K10A O20B 14.3(4) . .
O22B K10A O20B 88.7(5) 2_666 .
O41B K10A O20B 78.7(9) . .
K10B K10A O24A 38.4(7) . 2_666
O20A K10A O24A 141.3(6) . 2_666
O22B K10A O24A 75.3(5) 2_666 2_666
O41B K10A O24A 153.9(9) . 2_666
O20B K10A O24A 127.4(5) . 2_666
K10B K10A O22A 109.3(8) . 2_666
O20A K10A O22A 90.4(5) . 2_666
O22B K10A O22A 13.5(4) 2_666 2_666
O41B K10A O22A 117.9(9) . 2_666
O20B K10A O22A 80.5(5) . 2_666
O24A K10A O22A 72.7(5) 2_666 2_666
K10B K10A O41A 143.1(10) . .
O20A K10A O41A 76.6(6) . .
O22B K10A O41A 83.4(6) 2_666 .
O41B K10A O41A 28.1(8) . .
O20B K10A O41A 87.6(6) . .
O24A K10A O41A 137.4(6) 2_666 .
O22A K10A O41A 93.8(6) 2_666 .
K10B K10A O18 56.8(7) . .
O20A K10A O18 73.0(4) . .
O22B K10A O18 123.7(4) 2_666 .
O41B K10A O18 114.0(9) . .
O20B K10A O18 67.5(3) . .
O24A K10A O18 80.6(4) 2_666 .
O22A K10A O18 110.3(4) 2_666 .
O41A K10A O18 140.9(5) . .
K10B K10A O27 82.4(7) . .
O20A K10A O27 146.7(4) . .
O22B K10A O27 74.0(4) 2_666 .
O41B K10A O27 88.2(9) . .
O20B K10A O27 153.4(3) . .
O24A K10A O27 68.1(4) 2_666 .
O22A K10A O27 85.5(4) 2_666 .
O41A K10A O27 70.7(5) . .
O18 K10A O27 139.0(3) . .
K10B K10A O24B 47.7(7) . 2_666
O20A K10A O24B 121.6(5) . 2_666
O22B K10A O24B 68.9(4) 2_666 2_666
O41B K10A O24B 173.4(9) . 2_666
O20B K10A O24B 107.5(4) . 2_666
O24A K10A O24B 20.1(4) 2_666 2_666
O22A K10A O24B 62.0(4) 2_666 2_666
O41A K10A O24B 147.6(6) . 2_666
O18 K10A O24B 71.2(3) . 2_666
O27 K10A O24B 85.3(3) . 2_666
K10B K10A O41B 60.5(10) . 2_656
O20A K10A O41B 106.3(9) . 2_656
O22B K10A O41B 154.0(8) 2_666 2_656
O41B K10A O41B 70.4(14) . 2_656
O20B K10A O41B 116.1(8) . 2_656
O24A K10A O41B 93.9(9) 2_666 2_656
O22A K10A O41B 163.2(9) 2_666 2_656
O41A K10A O41B 89.5(9) . 2_656
O18 K10A O41B 76.2(7) . 2_656
O27 K10A O41B 80.1(8) . 2_656
O24B K10A O41B 108.0(8) 2_666 2_656
K10A K10B O24A 130.8(9) . 2_666
K10A K10B O18 110.5(8) . .
O24A K10B O18 97.6(5) 2_666 .
K10A K10B O24B 121.6(8) . 2_666
O24A K10B O24B 23.1(5) 2_666 2_666
O18 K10B O24B 82.8(3) . 2_666
K10A K10B O22B 53.5(7) . 2_666
O24A K10B O22B 77.4(5) 2_666 2_666
O18 K10B O22B 122.5(4) . 2_666
O24B K10B O22B 71.0(4) 2_666 2_666
K10A K10B O20A 39.8(7) . .
O24A K10B O20A 141.8(6) 2_666 .
O18 K10B O20A 70.9(4) . .
O24B K10B O20A 119.5(5) 2_666 .
O22B K10B O20A 79.0(5) 2_666 .
K10A K10B O41B 107.5(11) . 2_656
O24A K10B O41B 114.1(10) 2_666 2_656
O18 K10B O41B 86.2(8) . 2_656
O24B K10B O41B 130.5(8) 2_666 2_656
O22B K10B O41B 148.6(8) 2_666 2_656
O20A K10B O41B 101.6(9) . 2_656
K10A K10B O41A 127.8(10) . 2_656
O24A K10B O41A 86.8(7) 2_666 2_656
O18 K10B O41A 94.9(5) . 2_656
O24B K10B O41A 105.7(6) 2_666 2_656
O22B K10B O41A 140.7(6) 2_666 2_656
O20A K10B O41A 129.3(6) . 2_656
O41B K10B O41A 27.7(8) 2_656 2_656
K10A K10B O27 84.6(7) . .
O24A K10B O27 74.5(5) 2_666 .
O18 K10B O27 164.2(3) . .
O24B K10B O27 93.2(4) 2_666 .
O22B K10B O27 69.8(4) 2_666 .
O20A K10B O27 123.7(4) . .
O41B K10B O27 84.8(8) 2_656 .
O41A K10B O27 71.3(5) 2_656 .
K10A K10B O22A 58.7(7) . 2_666
O24A K10B O22A 74.1(5) 2_666 2_666
O18 K10B O22A 110.5(4) . 2_666
O24B K10B O22A 63.3(4) 2_666 2_666
O22B K10B O22A 12.5(3) 2_666 2_666
O20A K10B O22A 76.4(4) . 2_666
O41B K10B O22A 160.9(8) 2_656 2_666
O41A K10B O22A 149.7(6) 2_656 2_666
O27 K10B O22A 80.8(3) . 2_666
K10A K10B O20B 46.0(7) . .
O24A K10B O20B 129.6(6) 2_666 .
O18 K10B O20B 65.3(3) . .
O24B K10B O20B 107.0(4) 2_666 .
O22B K10B O20B 74.8(4) 2_666 .
O20A K10B O20B 12.6(3) . .
O41B K10B O20B 111.6(9) 2_656 .
O41A K10B O20B 138.7(6) 2_656 .
O27 K10B O20B 130.3(3) . .
O22A K10B O20B 69.7(4) 2_666 .
K10A K10B O41B 39.7(10) . .
O24A K10B O41B 154.0(9) 2_666 .
O18 K10B O41B 108.4(8) . .
O24B K10B O41B 160.2(8) 2_666 .
O22B K10B O41B 89.2(8) 2_666 .
O20A K10B O41B 53.3(8) . .
O41B K10B O41B 67.9(13) 2_656 .
O41A K10B O41B 89.9(10) 2_656 .
O27 K10B O41B 80.0(8) . .
O22A K10B O41B 97.1(8) 2_666 .
O20B K10B O41B 65.5(7) . .
C4 O1 Ni1 116.1(5) . .
C4 O1 K1 139.2(5) . .
Ni1 O1 K1 88.7(2) . .
C4 O2 K2 147.5(6) . 5_666
C4 O2 K9 101.1(6) . .
K2 O2 K9 98.5(2) 5_666 .
C4 O2 K4 116.5(6) . 7_556
K2 O2 K4 75.79(17) 5_666 7_556
K9 O2 K4 117.1(2) . 7_556
C5 O3 Ni2 114.2(6) . .
C5 O3 K2 139.1(6) . .
Ni2 O3 K2 86.3(2) . .
C5 O4 K2 135.5(7) . 5_666
C9 O5 Ni2 114.3(5) . .
C9 O5 K7B 110.6(5) . 2_656
Ni2 O5 K7B 113.6(3) . 2_656
C9 O5 K2 132.7(5) . .
Ni2 O5 K2 84.81(19) . .
K7B O5 K2 98.3(2) 2_656 .
C9 O5 K4 78.1(5) . 3
Ni2 O5 K4 149.7(2) . 3
K7B O5 K4 84.56(17) 2_656 3
K2 O5 K4 68.06(14) . 3
C9 O6 K5 141.3(6) . .
C9 O6 K4 113.6(6) . 3
K5 O6 K4 102.9(2) . 3
C9 O6 K8B 102.3(6) . .
K5 O6 K8B 89.2(3) . .
K4 O6 K8B 91.0(3) 3 .
C10 O7 Ni3 115.3(6) . .
C10 O7 K3 131.2(5) . .
Ni3 O7 K3 85.08(19) . .
C10 O7 K7A 115.2(5) . 3_545
Ni3 O7 K7A 110.0(2) . 3_545
K3 O7 K7A 95.4(2) . 3_545
C10 O8 K5 142.1(7) . .
C10 O8 K1 115.7(6) . 3_545
K5 O8 K1 98.5(2) . 3_545
C10 O8 K8B 102.8(6) . .
K5 O8 K8B 90.9(3) . .
K1 O8 K8B 92.4(3) 3_545 .
C14 O9 Ni3 113.3(5) . .
C14 O9 K8A 101.2(5) . .
Ni3 O9 K8A 134.6(3) . .
C14 O9 K3 138.4(5) . .
Ni3 O9 K3 87.1(2) . .
K8A O9 K3 85.9(2) . .
C14 O10 K3 144.7(6) . 5_656
C14 O10 K8A 89.8(5) . .
K3 O10 K8A 116.0(2) 5_656 .
C15 O11 Ni4 113.4(5) . .
C15 O11 K4 140.1(5) . .
Ni4 O11 K4 89.5(2) . .
C15 O12 K3 139.7(6) . 5_656
C15 O12 K1 123.5(5) . 7_556
K3 O12 K1 85.99(17) 5_656 7_556
C15 O12 K8A 109.3(5) . 5_656
K3 O12 K8A 86.17(19) 5_656 5_656
K1 O12 K8A 103.6(2) 7_556 5_656
C19 O13 Ni4 115.2(5) . .
C19 O13 K4 128.1(5) . .
Ni4 O13 K4 92.2(2) . .
C19 O13 K7B 112.5(5) . 4_546
Ni4 O13 K7B 107.2(2) . 4_546
K4 O13 K7B 98.4(2) . 4_546
C19 O14 K6A 130.3(6) . .
C19 O14 K6B 147.9(6) . .
K6A O14 K6B 19.93(13) . .
C19 O14 K2 118.5(6) . 3_445
K6A O14 K2 102.6(2) . 3_445
K6B O14 K2 91.3(2) . 3_445
C19 O14 K9 95.1(5) . 7_556
K6A O14 K9 106.5(2) . 7_556
K6B O14 K9 92.1(2) . 7_556
K2 O14 K9 97.6(2) 3_445 7_556
C20 O15 Ni1 115.1(5) . .
C20 O15 K1 128.8(5) . .
Ni1 O15 K1 88.9(2) . .
C20 O15 K7A 111.8(5) . .
Ni1 O15 K7A 111.0(2) . .
K1 O15 K7A 98.4(2) . .
C20 O16 K6B 144.6(6) . .
C20 O16 K3 120.2(5) . 3_455
K6B O16 K3 88.8(2) . 3_455
C20 O16 K6A 125.4(5) . .
K6B O16 K6A 19.83(12) . .
K3 O16 K6A 101.2(2) 3_455 .
C20 O16 K9 99.1(5) . 7_556
K6B O16 K9 92.5(2) . 7_556
K3 O16 K9 103.52(19) 3_455 7_556
K6A O16 K9 104.3(2) . 7_556
C23 O17 Ni1 113.4(6) . .
C23 O17 K1 140.4(5) . .
Ni1 O17 K1 86.7(2) . .
C23 O18 K10B 138.0(7) . .
C23 O18 K5 117.9(6) . 3_455
K10B O18 K5 93.6(3) . 3_455
C23 O18 K10A 133.3(6) . .
K10B O18 K10A 12.66(14) . .
K5 O18 K10A 103.9(3) 3_455 .
C25 O19 Ni2 114.6(6) . 2_656
C25 O19 K2 140.2(6) . 2_656
Ni2 O19 K2 87.7(2) 2_656 2_656
O20B O20A C25 73.4(19) . .
O20B O20A K10A 110(2) . .
C25 O20A K10A 157.1(11) . .
O20B O20A K10B 106.4(19) . .
C25 O20A K10B 147.2(10) . .
K10A O20A K10B 10.57(18) . .
O20B O20A K6A 44.3(17) . 4_556
C25 O20A K6A 105.0(10) . 4_556
K10A O20A K6A 91.5(5) . 4_556
K10B O20A K6A 95.2(5) . 4_556
O20B O20A K6B 57.4(17) . 4_556
C25 O20A K6B 103.8(9) . 4_556
K10A O20A K6B 96.7(5) . 4_556
K10B O20A K6B 103.0(5) . 4_556
K6A O20A K6B 17.28(14) 4_556 4_556
O20A O20B C25 75.9(19) . .
O20A O20B K6A 124(2) . 4_556
C25 O20B K6A 133.8(9) . 4_556
O20A O20B K10A 55.4(18) . .
C25 O20B K10A 126.3(10) . .
K6A O20B K10A 94.9(5) 4_556 .
O20A O20B K6B 110.7(19) . 4_556
C25 O20B K6B 121.8(8) . 4_556
K6A O20B K6B 18.61(16) 4_556 4_556
K10A O20B K6B 97.5(4) . 4_556
O20A O20B K10B 61.0(18) . .
C25 O20B K10B 125.7(9) . .
K6A O20B K10B 98.7(4) 4_556 .
K10A O20B K10B 10.43(15) . .
K6B O20B K10B 104.2(4) 4_556 .
C28 O21 Ni3 113.4(5) . .
C28 O21 K3 139.7(6) . .
Ni3 O21 K3 88.2(2) . .
O22B O22A C28 77.2(19) . .
O22B O22A K6A 117(2) . 3_545
C28 O22A K6A 133.7(10) . 3_545
O22B O22A K10A 54.1(18) . 2_646
C28 O22A K10A 126.0(10) . 2_646
K6A O22A K10A 92.2(5) 3_545 2_646
O22B O22A K6B 104.3(19) . 3_545
C28 O22A K6B 118.9(9) . 3_545
K6A O22A K6B 19.27(17) 3_545 3_545
K10A O22A K6B 96.4(5) 2_646 3_545
O22B O22A K10B 59.1(18) . 2_646
C28 O22A K10B 123.3(9) . 2_646
K6A O22A K10B 99.4(5) 3_545 2_646
K10A O22A K10B 12.02(14) 2_646 2_646
K6B O22A K10B 106.3(5) 3_545 2_646
O22A O22B C28 72.8(19) . .
O22A O22B K10A 112(2) . 2_646
C28 O22B K10A 156.3(9) . 2_646
O22A O22B K10B 108.3(19) . 2_646
C28 O22B K10B 144.2(9) . 2_646
K10A O22B K10B 12.92(16) 2_646 2_646
O22A O22B K6A 50.6(17) . 3_545
C28 O22B K6A 108.3(9) . 3_545
K10A O22B K6A 91.1(5) 2_646 3_545
K10B O22B K6A 97.8(4) 2_646 3_545
O22A O22B K6B 63.1(18) . 3_545
C28 O22B K6B 104.6(8) . 3_545
K10A O22B K6B 97.9(5) 2_646 3_545
K10B O22B K6B 107.4(5) 2_646 3_545
K6A O22B K6B 18.08(14) 3_545 3_545
C30 O23 Ni4 112.5(5) . 2_656
C30 O23 K4 145.0(6) . 2_656
Ni4 O23 K4 84.50(19) 2_656 2_656
O24B O24A C30 65.5(12) . .
O24B O24A K10B 102.0(13) . 2_646
C30 O24A K10B 155.9(12) . 2_646
O24B O24A K10A 99.0(12) . 2_646
C30 O24A K10A 145.6(11) . 2_646
K10B O24A K10A 10.8(2) 2_646 2_646
O24B O24A K5 56.6(10) . 4_646
C30 O24A K5 96.5(9) . 4_646
K10B O24A K5 92.5(6) 2_646 4_646
K10A O24A K5 99.5(6) 2_646 4_646
O24A O24B C30 68.7(12) . .
O24A O24B K5 103.8(12) . 4_646
C30 O24B K5 119.6(7) . 4_646
O24A O24B K10B 54.9(11) . 2_646
C30 O24B K10B 120.0(8) . 2_646
K5 O24B K10B 93.9(4) 4_646 2_646
O24A O24B K10A 60.9(11) . 2_646
C30 O24B K10A 120.8(8) . 2_646
K5 O24B K10A 101.4(4) 4_646 2_646
K10B O24B K10A 10.72(15) 2_646 2_646
K9 O25 K9 105.7(2) . 7_556
O26B O26A O37A 173.2(17) . 3_455
O26B O26A K1 71.8(13) . .
O37A O26A K1 101.7(9) 3_455 .
O26B O26A K4 61.5(12) . 7_556
O37A O26A K4 120.9(9) 3_455 7_556
K1 O26A K4 86.1(3) . 7_556
O26B O26A K8B 93.5(13) . 5_666
O37A O26A K8B 93.2(9) 3_455 5_666
K1 O26A K8B 164.6(5) . 5_666
K4 O26A K8B 82.7(3) 7_556 5_666
O26B O26A K5 100.7(13) . 3_455
O37A O26A K5 76.3(8) 3_455 3_455
K1 O26A K5 83.1(3) . 3_455
K4 O26A K5 161.5(5) 7_556 3_455
K8B O26A K5 104.6(4) 5_666 3_455
O26A O26B K1 86.1(14) . .
O26A O26B K4 98.6(14) . 7_556
K1 O26B K4 96.1(6) . 7_556
O26A O26B K8B 135.1(16) . 3_455
K1 O26B K8B 88.0(5) . 3_455
K4 O26B K8B 126.3(8) 7_556 3_455
O26A O26B K8B 68.2(12) . 5_666
K1 O26B K8B 154.0(8) . 5_666
K4 O26B K8B 83.8(5) 7_556 5_666
K8B O26B K8B 113.1(6) 3_455 5_666
K10B O27 K10B 86.8(5) . 2_656
K10B O27 K10A 12.98(13) . .
K10B O27 K10A 82.9(4) 2_656 .
K10B O27 K10A 82.9(4) . 2_656
K10B O27 K10A 12.98(13) 2_656 2_656
K10A O27 K10A 81.9(5) . 2_656
O28B O28A K7A 114.6(17) . .
O28B O28A K6A 124.9(18) . .
K7A O28A K6A 115.3(7) . .
O28B O28A K7B 62.8(15) . .
K7A O28A K7B 52.4(3) . .
K6A O28A K7B 162.1(6) . .
O28A O28B K7B 98.9(17) . .
O28A O28B K7A 48.6(14) . .
K7B O28B K7A 50.8(3) . .
O29B O29A K5 68(2) . .
O29B O29A K8B 73(2) . 7_656
K5 O29A K8B 111.5(16) . 7_656
O29A O29B K4 131(2) . 3
O29A O29B K5 85(2) . .
K4 O29B K5 97.8(5) 3 .
O29A O29B K8B 80(2) . 7_656
K4 O29B K8B 134.5(6) 3 7_656
K5 O29B K8B 120.5(6) . 7_656
K7B O30 K6A 107.6(5) . 4_556
K7B O30 K7A 51.3(3) . .
K6A O30 K7A 153.8(6) 4_556 .
K8B O31 K2 142.4(3) . .
K8B O31 K4 85.2(3) . 3
K2 O31 K4 69.66(18) . 3
K9 O33 K6B 84.3(3) . 7_556
K9 O33 K3 89.9(2) . 5_656
K6B O33 K3 68.4(2) 7_556 5_656
O35B O35A O40B 13(3) . 3
O35A O35B O40B 156(5) . 3
O35A O35B K6B 167(3) . 3
O40B O35B K6B 25(3) 3 3
O35A O35B K2 96(3) . .
O40B O35B K2 77(3) 3 .
K6B O35B K2 70.9(6) 3 .
O36B O36A K8B 116(2) . .
O36B O36A K8A 96.1(18) . .
K8B O36A K8A 66.6(4) . .
O36A O36B K8B 50.1(17) . .
O36A O36B K8A 68.4(17) . .
K8B O36B K8A 59.0(4) . .
O37B O37A O26A 163(2) . 3_545
O37B O37A K5 123.8(16) . .
O26A O37A K5 73.3(9) 3_545 .
O38B O38A K8A 71.0(19) . 5_656
O38A O38B K8A 91(2) . 5_656
O38A O38B K6B 107(2) . 3_545
K8A O38B K6B 149.4(8) 5_656 3_545
O38A O38B K3 145(2) . .
K8A O38B K3 107.9(7) 5_656 .
K6B O38B K3 71.0(4) 3_545 .
O40B O40A K6B 112(3) . .
O40B O40A K6A 107(2) . .
K6B O40A K6A 8.3(4) . .
O35B O40B O40A 165(5) 3_445 .
O35B O40B O35A 12(2) 3_445 3_445
O40A O40B O35A 162(3) . 3_445
O35B O40B K6B 148(4) 3_445 .
O40A O40B K6B 41.1(19) . .
O35A O40B K6B 157(2) 3_445 .
O35B O40B K6A 136(4) 3_445 .
O40A O40B K6A 52(2) . .
O35A O40B K6A 145.5(19) 3_445 .
K6B O40B K6A 12.0(2) . .
O35B O40B K2 89(4) 3_445 3_445
O40A O40B K2 106(2) . 3_445
O35A O40B K2 86.2(15) 3_445 3_445
K6B O40B K2 81.4(9) . 3_445
K6A O40B K2 79.2(7) . 3_445
O41B O41A K10B 75(2) . 2_656
O41B O41A K10A 65.8(19) . .
K10B O41A K10A 87.2(7) 2_656 .
O41B O41A K10A 69(2) . 2_656
K10B O41A K10A 9.27(17) 2_656 2_656
K10A O41A K10A 78.3(6) . 2_656
O41B O41A K10B 64.7(19) . .
K10B O41A K10B 80.4(6) 2_656 .
K10A O41A K10B 6.75(17) . .
K10A O41A K10B 71.6(5) 2_656 .
O41A O41B K10A 86(2) . .
O41A O41B K10B 77(2) . 2_656
K10A O41B K10B 92.5(11) . 2_656
O41A O41B K10A 86(2) . 2_656
K10A O41B K10A 85.8(10) . 2_656
K10B O41B K10A 12.0(2) 2_656 2_656
O41A O41B K10B 92(2) . .
K10A O41B K10B 9.4(2) . .
K10B O41B K10B 86.7(10) 2_656 .
K10A O41B K10B 78.9(8) 2_656 .
C1 N1 C2 104.9(7) . .
C1 N1 Ni1 141.1(6) . .
C2 N1 Ni1 113.8(6) . .
C1 N2 C3 105.6(7) . .
C1 N2 Ni2 141.1(6) . .
C3 N2 Ni2 113.2(5) . .
C6 N3 C7 105.0(7) . .
C6 N3 Ni2 139.4(6) . .
C7 N3 Ni2 115.4(6) . .
C6 N4 C8 105.5(7) . .
C6 N4 Ni3 139.7(6) . .
C8 N4 Ni3 114.8(6) . .
C11 N5 C12 104.3(7) . .
C11 N5 Ni3 144.3(5) . .
C12 N5 Ni3 111.0(6) . .
C11 N6 C13 105.7(7) . .
C11 N6 Ni4 140.9(6) . .
C13 N6 Ni4 112.4(5) . .
C16 N7 C17 106.3(7) . .
C16 N7 Ni4 140.6(6) . .
C17 N7 Ni4 113.0(6) . .
C16 N8 C18 107.2(8) . .
C16 N8 Ni1 141.6(7) . .
C18 N8 Ni1 111.3(6) . .
C22 N9 C21 105.6(7) . .
C22 N9 Ni1 140.4(6) . .
C21 N9 Ni1 113.6(6) . .
C22 N10 C24 107.1(7) . .
C22 N10 Ni2 139.7(6) . 2_656
C24 N10 Ni2 113.2(6) . 2_656
C27 N11 C26 106.2(7) . .
C27 N11 Ni3 140.2(6) . .
C26 N11 Ni3 113.6(5) . .
C27 N12 C29 103.2(7) . .
C27 N12 Ni4 141.5(6) . 2_656
C29 N12 Ni4 114.7(6) . 2_656
C27 N12 K7B 103.5(5) . 3_545
C29 N12 K7B 76.5(5) . 3_545
Ni4 N12 K7B 91.9(2) 2_656 3_545
N2 C1 N1 114.7(8) . .
N1 C2 C3 107.7(7) . .
N1 C2 C4 116.6(8) . .
C3 C2 C4 135.8(8) . .
N2 C3 C2 107.1(7) . .
N2 C3 C5 116.6(8) . .
C2 C3 C5 136.2(8) . .
O2 C4 O1 121.7(8) . .
O2 C4 C2 124.5(8) . .
O1 C4 C2 113.8(8) . .
O2 C4 K9 57.6(5) . .
O1 C4 K9 99.2(5) . .
C2 C4 K9 114.3(6) . .
O4 C5 O3 122.3(8) . .
O4 C5 C3 122.2(8) . .
O3 C5 C3 115.4(8) . .
N4 C6 N3 113.6(8) . .
N3 C7 C8 108.2(7) . .
N3 C7 C9 115.8(8) . .
C8 C7 C9 136.1(8) . .
N4 C8 C7 107.6(7) . .
N4 C8 C10 115.5(8) . .
C7 C8 C10 136.8(8) . .
O6 C9 O5 122.8(8) . .
O6 C9 C7 122.9(8) . .
O5 C9 C7 114.3(8) . .
O6 C9 K4 47.1(4) . 3
O5 C9 K4 79.9(5) . 3
C7 C9 K4 156.2(6) . 3
O6 C9 K7B 91.9(5) . 2_656
O5 C9 K7B 48.7(4) . 2_656
C7 C9 K7B 128.4(5) . 2_656
K4 C9 K7B 75.46(19) 3 2_656
O6 C9 K8B 57.6(5) . .
O5 C9 K8B 133.7(6) . .
C7 C9 K8B 83.9(5) . .
K4 C9 K8B 72.9(2) 3 .
K7B C9 K8B 146.3(3) 2_656 .
O8 C10 O7 124.6(9) . .
O8 C10 C8 121.0(9) . .
O7 C10 C8 114.5(8) . .
O8 C10 K1 44.7(5) . 3_545
O7 C10 K1 82.6(5) . 3_545
C8 C10 K1 157.4(6) . 3_545
O8 C10 K8B 56.6(6) . .
O7 C10 K8B 132.8(6) . .
C8 C10 K8B 84.8(5) . .
K1 C10 K8B 72.6(2) 3_545 .
N6 C11 N5 115.3(7) . .
N5 C12 C13 108.0(7) . .
N5 C12 C14 116.7(8) . .
C13 C12 C14 134.4(8) . .
N6 C13 C12 106.7(7) . .
N6 C13 C15 117.1(8) . .
C12 C13 C15 136.0(8) . .
O10 C14 O9 122.7(8) . .
O10 C14 C12 123.2(8) . .
O9 C14 C12 114.1(8) . .
O10 C14 K8A 67.5(5) . .
O9 C14 K8A 55.7(4) . .
C12 C14 K8A 167.1(6) . .
O12 C15 O11 120.6(8) . .
O12 C15 C13 123.0(8) . .
O11 C15 C13 116.3(8) . .
O12 C15 K8A 50.2(4) . 5_656
O11 C15 K8A 135.8(6) . 5_656
C13 C15 K8A 86.1(5) . 5_656
N8 C16 N7 113.0(9) . .
N7 C17 C18 107.3(7) . .
N7 C17 C19 117.9(8) . .
C18 C17 C19 134.7(8) . .
N7 C17 K9 129.8(5) . 7_556
C18 C17 K9 80.1(5) . 7_556
C19 C17 K9 73.4(5) . 7_556
N8 C18 C17 106.1(7) . .
N8 C18 C20 117.6(8) . .
C17 C18 C20 136.2(8) . .
N8 C18 K9 130.2(6) . 7_556
C17 C18 K9 74.7(5) . 7_556
C20 C18 K9 75.7(5) . 7_556
O14 C19 O13 123.3(9) . .
O14 C19 C17 122.6(8) . .
O13 C19 C17 114.1(8) . .
O14 C19 K9 62.5(5) . 7_556
O13 C19 K9 130.0(6) . 7_556
C17 C19 K9 80.2(5) . 7_556
O14 C19 K2 43.6(4) . 3_445
O13 C19 K2 81.8(5) . 3_445
C17 C19 K2 157.9(6) . 3_445
K9 C19 K2 77.7(2) 7_556 3_445
O14 C19 K7B 94.9(6) . 4_546
O13 C19 K7B 47.3(4) . 4_546
C17 C19 K7B 127.8(6) . 4_546
K9 C19 K7B 151.8(3) 7_556 4_546
K2 C19 K7B 74.18(19) 3_445 4_546
O16 C20 O15 124.3(8) . .
O16 C20 C18 120.5(8) . .
O15 C20 C18 115.2(8) . .
O16 C20 K9 58.5(4) . 7_556
O15 C20 K9 136.7(6) . 7_556
C18 C20 K9 78.5(5) . 7_556
O16 C20 K3 41.6(4) . 3_455
O15 C20 K3 84.0(5) . 3_455
C18 C20 K3 157.6(6) . 3_455
K9 C20 K3 79.47(19) 7_556 3_455
O16 C20 K7A 94.9(5) . .
O15 C20 K7A 48.4(4) . .
C18 C20 K7A 127.6(6) . .
K9 C20 K7A 151.7(3) 7_556 .
K3 C20 K7A 73.36(18) 3_455 .
N9 C21 C24 108.1(7) . .
N9 C21 C23 115.9(8) . .
C24 C21 C23 135.9(8) . .
N9 C21 K7A 79.4(5) . .
C24 C21 K7A 100.3(5) . .
C23 C21 K7A 86.4(5) . .
N10 C22 N9 113.3(8) . .
O18 C23 O17 122.8(8) . .
O18 C23 C21 119.9(8) . .
O17 C23 C21 117.2(8) . .
O18 C23 K5 43.3(4) . 3_455
O17 C23 K5 81.1(5) . 3_455
C21 C23 K5 155.9(6) . 3_455
O18 C23 K10B 28.2(5) . .
O17 C23 K10B 130.6(6) . .
C21 C23 K10B 106.7(5) . .
K5 C23 K10B 65.40(19) 3_455 .
N10 C24 C21 105.9(7) . .
N10 C24 C25 116.6(8) . .
C21 C24 C25 137.2(8) . .
N10 C24 K7B 81.8(5) . .
C21 C24 K7B 101.6(5) . .
C25 C24 K7B 90.5(6) . .
O20B C25 O19 120.7(10) . .
O20B C25 O20A 30.7(8) . .
O19 C25 O20A 122.2(10) . .
O20B C25 C24 120.3(10) . .
O19 C25 C24 115.7(8) . .
O20A C25 C24 120.2(10) . .
O20B C25 K6A 30.3(7) . 4_556
O19 C25 K6A 92.2(6) . 4_556
O20A C25 K6A 53.2(8) . 4_556
C24 C25 K6A 139.0(6) . 4_556
O20B C25 K10A 36.6(7) . .
O19 C25 K10A 135.8(7) . .
O20A C25 K10A 14.7(7) . .
C24 C25 K10A 105.6(6) . .
K6A C25 K10A 64.1(2) 4_556 .
N11 C26 C29 107.2(7) . .
N11 C26 C28 116.6(7) . .
C29 C26 C28 136.3(8) . .
N11 C26 K7A 83.4(5) . 3_545
C29 C26 K7A 99.5(5) . 3_545
C28 C26 K7A 86.1(5) . 3_545
N11 C27 N12 114.6(8) . .
O21 C28 O22A 120.6(10) . .
O21 C28 O22B 119.6(9) . .
O22A C28 O22B 30.0(7) . .
O21 C28 C26 116.9(8) . .
O22A C28 C26 120.1(10) . .
O22B C28 C26 121.2(9) . .
O21 C28 K6A 91.4(5) . 3_545
O22A C28 K6A 30.4(7) . 3_545
O22B C28 K6A 50.2(7) . 3_545
C26 C28 K6A 141.8(6) . 3_545
C26 C29 N12 108.8(7) . .
C26 C29 C30 136.5(8) . .
N12 C29 C30 114.7(8) . .
C26 C29 K7B 104.0(6) . 3_545
N12 C29 K7B 79.7(5) . 3_545
C30 C29 K7B 85.9(5) . 3_545
O23 C30 O24B 120.1(9) . .
O23 C30 O24A 117.5(11) . .
O24B C30 O24A 45.7(8) . .
O23 C30 C29 117.4(8) . .
O24B C30 C29 118.1(9) . .
O24A C30 C29 118.8(10) . .
O23 C30 K5 79.4(5) . 4_646
O24B C30 K5 40.9(5) . 4_646
O24A C30 K5 60.4(8) . 4_646
C29 C30 K5 154.7(7) . 4_646
O23 C30 K10B 132.0(6) . 2_646
O24B C30 K10B 40.7(6) . 2_646
O24A C30 K10B 14.9(8) . 2_646
C29 C30 K10B 107.0(6) . 2_646
K5 C30 K10B 66.7(2) 4_646 2_646
O23 C30 K7B 84.7(6) . 3_545
O24B C30 K7B 94.6(7) . 3_545
O24A C30 K7B 139.9(10) . 3_545
C29 C30 K7B 69.3(5) . 3_545
K5 C30 K7B 95.3(3) 4_646 3_545
K10B C30 K7B 129.6(3) 2_646 3_545
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N9 2.024(7) .
Ni1 N1 2.034(7) .
Ni1 N8 2.046(7) .
Ni1 O1 2.088(6) .
Ni1 O15 2.092(6) .
Ni1 O17 2.147(6) .
Ni1 K1 3.409(2) .
Ni2 N3 1.993(7) .
Ni2 N2 2.025(7) .
Ni2 N10 2.029(7) 2_656
Ni2 O19 2.107(7) 2_656
Ni2 O3 2.118(6) .
Ni2 O5 2.121(6) .
Ni2 K2 3.349(2) .
Ni3 N4 2.026(7) .
Ni3 N11 2.035(7) .
Ni3 N5 2.048(7) .
Ni3 O9 2.093(6) .
Ni3 O7 2.106(6) .
Ni3 O21 2.121(6) .
Ni3 K3 3.369(2) .
Ni4 N12 2.018(7) 2_656
Ni4 N7 2.031(7) .
Ni4 N6 2.044(7) .
Ni4 O13 2.100(6) .
Ni4 O11 2.117(6) .
Ni4 O23 2.143(6) 2_656
Ni4 K4 3.509(3) .
Ni4 K7B 3.973(4) 4_546
K1 O8 2.651(7) 3_455
K1 O26B 2.68(2) .
K1 O15 2.730(6) .
K1 O1 2.740(6) .
K1 O12 2.773(6) 7_556
K1 O17 2.774(6) .
K1 O26A 2.812(12) .
K1 C10 3.393(10) 3_455
K1 K3 3.696(3) 3_455
K1 K5 3.992(4) 3_455
K1 K4 4.023(3) 7_556
K2 O2 2.580(6) 5_666
K2 O4 2.667(7) 5_666
K2 O19 2.688(7) 2_656
K2 O14 2.701(6) 3
K2 O3 2.736(6) .
K2 O5 2.790(6) .
K2 O31 3.033(8) .
K2 O40B 3.30(3) 3
K2 O35B 3.38(3) .
K2 C19 3.444(9) 3
K2 K4 3.516(3) 3
K3 O10 2.638(6) 5_656
K3 O12 2.645(6) 5_656
K3 O16 2.673(6) 3_545
K3 O21 2.684(6) .
K3 O9 2.749(6) .
K3 O7 2.817(6) .
K3 O38B 3.25(2) .
K3 O33 3.413(9) 5_656
K3 C20 3.481(9) 3_545
K3 K1 3.696(3) 3_545
K3 K8A 3.717(5) .
K4 O6 2.717(7) 3_445
K4 O26B 2.73(2) 7_556
K4 O13 2.732(6) .
K4 O29B 2.753(16) 3_445
K4 O11 2.817(6) .
K4 O23 2.992(6) 2_656
K4 O26A 3.074(12) 7_556
K4 O2 3.104(7) 7_556
K4 O31 3.120(9) 3_445
K4 C9 3.402(9) 3_445
K4 O5 3.422(6) 3_445
K5 O24B 2.580(10) 4_656
K5 O8 2.617(7) .
K5 O6 2.648(7) .
K5 O18 2.693(7) 3_545
K5 O29B 2.813(15) .
K5 O24A 3.002(17) 4_656
K5 O29A 3.03(5) .
K5 O26A 3.188(12) 3_545
K5 O37A 3.23(2) .
K5 C30 3.429(10) 4_656
K5 C23 3.467(9) 3_545
K5 K10B 3.779(6) 3_545
K6A K6B 0.929(5) .
K6A O20B 2.355(14) 4_546
K6A O22A 2.377(15) 3_455
K6A O14 2.662(7) .
K6A O40A 2.69(3) .
K6A O16 2.724(7) .
K6A O22B 2.748(14) 3_455
K6A O20A 2.793(16) 4_546
K6A O28A 2.953(18) .
K6A O30 3.159(17) 4_546
K6A O40B 3.26(4) .
K6A C25 3.367(11) 4_546
K6B O40A 1.82(3) .
K6B O40B 2.56(4) .
K6B O16 2.658(7) .
K6B O14 2.701(7) .
K6B O22A 2.741(14) 3_455
K6B O20B 2.778(13) 4_546
K6B O22B 2.981(14) 3_455
K6B O20A 3.085(16) 4_546
K6B O38B 3.17(2) 3_455
K6B O33 3.219(13) 7_556
K6B O35B 3.28(4) 3_445
K7A K7B 2.731(5) .
K7A O28A 2.747(18) .
K7A O15 2.828(7) .
K7A O7 2.831(7) 3_455
K7A O30 3.285(18) .
K7A O28B 3.33(2) .
K7A C26 3.388(10) 3_455
K7A C21 3.480(9) .
K7A C20 3.513(10) .
K7A K3 4.178(4) 3_455
K7B O5 2.773(6) 2_656
K7B O13 2.808(6) 4_556
K7B O28B 2.99(2) .
K7B O30 2.997(17) .
K7B C29 3.316(9) 3_455
K7B O28A 3.324(18) .
K7B N12 3.355(8) 3_455
K7B C9 3.454(9) 2_656
K7B C24 3.514(10) .
K7B C19 3.533(10) 4_556
K7B C30 3.535(12) 3_455
K8A O38B 2.62(2) 5_656
K8A O9 2.708(7) .
K8A O36A 2.758(13) .
K8A O38A 2.773(17) 5_656
K8A O12 2.794(8) 5_656
K8A K8B 2.888(12) .
K8A O36B 2.95(2) .
K8A O10 2.973(8) .
K8A C14 3.217(10) .
K8A C15 3.436(10) 5_656
K8A K1 4.374(6) 3_545
K8B O36A 2.484(17) .
K8B O36B 2.92(2) .
K8B O31 2.933(12) .
K8B O29B 2.950(18) 7_656
K8B O8 2.977(12) .
K8B O6 3.027(12) .
K8B O29A 3.03(5) 7_656
K8B O26A 3.134(15) 5_666
K8B O26B 3.16(2) 3_545
K8B O26B 3.37(2) 5_666
K8B C10 3.479(13) .
K9 O33 2.649(9) .
K9 O25 2.692(7) .
K9 O25 2.794(6) 7_556
K9 O14 2.803(6) 7_556
K9 O16 2.824(6) 7_556
K9 O2 2.880(7) .
K9 C19 3.148(9) 7_556
K9 C17 3.237(9) 7_556
K9 C20 3.270(9) 7_556
K9 C18 3.306(9) 7_556
K9 C4 3.345(10) .
K9 K6B 3.962(5) 7_556
K10A K10B 0.651(6) .
K10A O20A 2.272(16) .
K10A O22B 2.343(14) 2_666
K10A O41B 2.54(3) .
K10A O20B 2.588(14) .
K10A O24A 2.639(18) 2_666
K10A O22A 2.674(15) 2_666
K10A O41A 2.78(2) .
K10A O18 2.784(9) .
K10A O27 2.887(13) .
K10A O24B 2.984(11) 2_666
K10A O41B 3.00(4) 2_656
K10B O24A 2.167(18) 2_666
K10B O18 2.488(9) .
K10B O24B 2.590(11) 2_666
K10B O22B 2.671(14) 2_666
K10B O20A 2.734(16) .
K10B O41B 2.74(4) 2_656
K10B O41A 2.75(2) 2_656
K10B O27 2.875(13) .
K10B O22A 2.953(15) 2_666
K10B O20B 2.998(14) .
K10B O41B 3.01(3) .
O1 C4 1.318(10) .
O2 C4 1.234(10) .
O2 K2 2.580(6) 5_666
O2 K4 3.104(7) 7_556
O3 C5 1.282(10) .
O4 C5 1.259(10) .
O4 K2 2.667(7) 5_666
O5 C9 1.302(10) .
O5 K7B 2.773(6) 2_656
O5 K4 3.422(6) 3
O6 C9 1.229(10) .
O6 K4 2.717(7) 3
O7 C10 1.295(11) .
O7 K7A 2.831(7) 3_545
O8 C10 1.259(11) .
O8 K1 2.651(7) 3_545
O9 C14 1.290(10) .
O10 C14 1.243(10) .
O10 K3 2.638(6) 5_656
O11 C15 1.308(10) .
O12 C15 1.280(10) .
O12 K3 2.645(6) 5_656
O12 K1 2.773(6) 7_556
O12 K8A 2.794(8) 5_656
O13 C19 1.324(10) .
O13 K7B 2.808(6) 4_546
O14 C19 1.207(10) .
O14 K2 2.701(6) 3_445
O14 K9 2.803(6) 7_556
O15 C20 1.283(10) .
O16 C20 1.260(10) .
O16 K3 2.673(6) 3_455
O16 K9 2.824(6) 7_556
O17 C23 1.262(10) .
O18 C23 1.261(10) .
O18 K5 2.693(7) 3_455
O19 C25 1.288(11) .
O19 Ni2 2.107(7) 2_656
O19 K2 2.688(7) 2_656
O20A O20B 0.681(16) .
O20A C25 1.293(17) .
O20A K6A 2.793(16) 4_556
O20A K6B 3.085(15) 4_556
O20B C25 1.277(15) .
O20B K6A 2.355(14) 4_556
O20B K6B 2.778(13) 4_556
O21 C28 1.278(10) .
O22A O22B 0.675(16) .
O22A C28 1.290(16) .
O22A K6A 2.377(15) 3_545
O22A K10A 2.674(15) 2_646
O22A K6B 2.741(14) 3_545
O22A K10B 2.953(15) 2_646
O22B C28 1.316(15) .
O22B K10A 2.343(14) 2_646
O22B K10B 2.671(14) 2_646
O22B K6A 2.748(14) 3_545
O22B K6B 2.981(14) 3_545
O23 C30 1.281(11) .
O23 Ni4 2.143(6) 2_656
O23 K4 2.992(6) 2_656
O24A O24B 1.038(17) .
O24A C30 1.351(19) .
O24A K10B 2.167(18) 2_646
O24A K10A 2.639(18) 2_646
O24A K5 3.002(17) 4_646
O24B C30 1.320(13) .
O24B K5 2.580(10) 4_646
O24B K10B 2.590(11) 2_646
O24B K10A 2.984(11) 2_646
O25 K9 2.794(6) 7_556
O26A O26B 1.058(19) .
O26A O37A 1.68(3) 3_455
O26A K4 3.074(12) 7_556
O26A K8B 3.134(15) 5_666
O26A K5 3.188(12) 3_455
O26B K4 2.732(19) 7_556
O26B K8B 3.16(2) 3_455
O26B K8B 3.37(2) 5_666
O27 K10B 2.875(13) 2_656
O27 K10A 2.887(13) 2_656
O28A O28B 1.06(2) .
O29A O29B 1.41(5) .
O29A K8B 3.03(5) 7_656
O29B K4 2.753(16) 3
O29B K8B 2.950(18) 7_656
O30 K6A 3.159(17) 4_556
O31 K4 3.120(9) 3
O33 K6B 3.219(13) 7_556
O33 K3 3.413(9) 5_656
O35A O35B 0.74(3) .
O35A O40B 1.52(4) 3
O35B O40B 0.82(4) 3
O35B K6B 3.28(4) 3
O36A O36B 0.793(19) .
O37A O37B 1.07(2) .
O37A O26A 1.68(3) 3_545
O38A O38B 0.85(2) .
O38A K8A 2.773(17) 5_656
O38B K8A 2.62(2) 5_656
O38B K6B 3.17(2) 3_545
O40A O40B 1.23(4) .
O40B O35B 0.82(4) 3_445
O40B O35A 1.52(4) 3_445
O40B K2 3.30(3) 3_445
O41A O41B 1.31(4) .
O41A K10B 2.75(2) 2_656
O41A K10A 3.19(2) 2_656
O41B K10B 2.74(4) 2_656
O41B K10A 3.00(4) 2_656
N1 C1 1.340(10) .
N1 C2 1.381(10) .
N2 C1 1.319(10) .
N2 C3 1.384(10) .
N3 C6 1.328(11) .
N3 C7 1.366(11) .
N4 C6 1.316(11) .
N4 C8 1.369(10) .
N5 C11 1.325(10) .
N5 C12 1.373(10) .
N6 C11 1.305(10) .
N6 C13 1.372(10) .
N7 C16 1.342(11) .
N7 C17 1.387(10) .
N8 C16 1.330(11) .
N8 C18 1.393(11) .
N9 C22 1.327(10) .
N9 C21 1.380(11) .
N10 C22 1.319(10) .
N10 C24 1.385(10) .
N10 Ni2 2.029(7) 2_656
N11 C27 1.293(10) .
N11 C26 1.357(11) .
N12 C27 1.332(10) .
N12 C29 1.376(11) .
N12 Ni4 2.018(7) 2_656
N12 K7B 3.355(8) 3_545
C2 C3 1.412(12) .
C2 C4 1.472(11) .
C3 C5 1.455(12) .
C7 C8 1.372(11) .
C7 C9 1.499(12) .
C8 C10 1.506(12) .
C9 K4 3.402(9) 3
C9 K7B 3.454(9) 2_656
C10 K1 3.393(10) 3_545
C12 C13 1.404(12) .
C12 C14 1.482(12) .
C13 C15 1.441(11) .
C15 K8A 3.436(10) 5_656
C17 C18 1.429(12) .
C17 C19 1.461(12) .
C17 K9 3.237(9) 7_556
C18 C20 1.466(12) .
C18 K9 3.306(9) 7_556
C19 K9 3.148(9) 7_556
C19 K2 3.444(9) 3_445
C19 K7B 3.533(10) 4_546
C20 K9 3.270(9) 7_556
C20 K3 3.481(9) 3_455
C21 C24 1.402(12) .
C21 C23 1.481(12) .
C23 K5 3.467(9) 3_455
C24 C25 1.451(12) .
C25 K6A 3.367(10) 4_556
C26 C29 1.366(11) .
C26 C28 1.463(12) .
C26 K7A 3.388(10) 3_545
C28 K6A 3.398(10) 3_545
C29 C30 1.486(12) .
C29 K7B 3.316(9) 3_545
C30 K5 3.429(10) 4_646
C30 K10B 3.445(11) 2_646
C30 K7B 3.535(12) 3_545
