# 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).
# 
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# 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. 
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data_paa76
_database_code_depnum_ccdc_archive 'CCDC 1446353'
_audit_update_record             
;
2016-01-10 deposited with the CCDC.
2016-03-10 downloaded from the CCDC.
;
_audit_creation_date             2016-01-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C81 H100 N7 Na Ni5 O28 Si10'
_chemical_formula_sum            'C81 H100 N7 Na Ni5 O28 Si10'
_chemical_formula_weight         2217.11
_chemical_melting_point          ?
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   20.1408(17)
_cell_length_b                   18.6886(16)
_cell_length_c                   27.306(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.703(2)
_cell_angle_gamma                90
_cell_volume                     10266.8(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9591
_cell_measurement_temperature    120
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      2.30
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.095
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6182
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1030 before and 0.0409 after correction.
The Ratio of minimum to maximum transmission is 0.8286.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             4600
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_unetI/netI     0.0295
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            133509
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.521
_diffrn_reflns_theta_min         1.012
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                23643
_reflns_number_total             31342
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.716
_refine_diff_density_min         -0.712
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1203
_refine_ls_number_reflns         31342
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0450
_refine_ls_restrained_S_all      1.108
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0656P)²+7.5096P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1208
_refine_ls_wR_factor_ref         0.1303
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Riding coordinates:
 O100(H100)
2.b Aromatic/amide H refined with riding coordinates:
 C27(H27), C9(H9), C16(H16), C37(H37), C96(H96), C92(H92), C93(H93), C86(H86),
 C47(H47), C19(H19), C46(H46), C95(H95), C94(H94), C42(H42), C76(H76),
 C106(H106), C45(H45), C85(H85), C102(H102), C12(H12), C43(H43), C75(H75),
 C74(H74), C66(H66), C36(H36), C6(H6), C44(H44), C65(H65), C3(H3), C15(H15),
 C62(H62), C26(H26), C82(H82), C103(H103), C104(H104), C72(H72), C22(H22),
 C13(H13), C105(H105), C84(H84), C35(H35), C24(H24), C14(H14), C34(H34),
 C25(H25), C32(H32), C63(H63), C54(H54), C64(H64), C23(H23), C52(H52), C83(H83),
  C56(H56), C73(H73), C55(H55), C33(H33), C53(H53)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C7(H7A,H7B,H7C), C18(H18A,H18B,H18C),
 C29(H29A,H29B,H29C), C8(H8A,H8B,H8C), C28(H28A,H28B,H28C), C38(H38A,H38B,H38C),
  C39(H39A,H39B,H39C), C5(H5A,H5B,H5C), C49(H49A,H49B,H49C), C4(H4A,H4B,H4C),
 C17(H17A,H17B,H17C), C48(H48A,H48B,H48C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Ni4 Ni 0.17645(2) 0.30449(2) 0.76982(2) 0.01776(6) Uani 1 1 d . . . . .
Ni1 Ni 0.29648(2) 0.44588(2) 0.68627(2) 0.01825(6) Uani 1 1 d . . . . .
Ni3 Ni 0.24848(2) 0.38602(2) 0.83411(2) 0.01757(6) Uani 1 1 d . . . . .
Ni5 Ni 0.20214(2) 0.34057(2) 0.67639(2) 0.01856(6) Uani 1 1 d . . . . .
Ni2 Ni 0.32813(2) 0.47453(2) 0.78397(2) 0.01786(6) Uani 1 1 d . . . . .
Si7 Si 0.43727(3) 0.37486(3) 0.72973(2) 0.01817(11) Uani 1 1 d . . . . .
Si8 Si 0.40566(3) 0.33690(3) 0.83400(2) 0.01829(11) Uani 1 1 d . . . . .
Si1 Si 0.14599(3) 0.50460(3) 0.65757(2) 0.01963(12) Uani 1 1 d . . . . .
Si4 Si 0.09194(3) 0.43676(3) 0.81965(2) 0.01914(11) Uani 1 1 d . . . . .
Si9 Si 0.30356(3) 0.22121(3) 0.82552(2) 0.01936(12) Uani 1 1 d . . . . .
Si3 Si 0.19884(3) 0.55244(3) 0.82962(2) 0.02032(12) Uani 1 1 d . . . . .
Si5 Si 0.06010(3) 0.40399(3) 0.71305(2) 0.01949(12) Uani 1 1 d . . . . .
Si6 Si 0.35494(3) 0.28873(3) 0.65533(2) 0.01969(12) Uani 1 1 d . . . . .
Si2 Si 0.23211(3) 0.59463(3) 0.72864(2) 0.02026(12) Uani 1 1 d . . . . .
Si10 Si 0.27509(3) 0.19156(3) 0.71598(2) 0.02046(12) Uani 1 1 d . . . . .
Na1 Na 0.14891(6) 0.27433(6) 0.87728(5) 0.0397(3) Uani 1 1 d . . . . .
O14 O 0.24316(7) 0.27720(8) 0.82614(6) 0.0195(3) Uani 1 1 d . . . . .
O6 O 0.20245(7) 0.44487(8) 0.65682(6) 0.0199(3) Uani 1 1 d . . . . .
O8 O 0.25618(8) 0.49384(8) 0.83137(6) 0.0206(3) Uani 1 1 d . . . . .
O15 O 0.21459(8) 0.24711(8) 0.71446(6) 0.0205(3) Uani 1 1 d . . . . .
O11 O 0.29709(7) 0.34695(8) 0.65654(6) 0.0196(3) Uani 1 1 d . . . . .
O9 O 0.14688(7) 0.37461(8) 0.82368(6) 0.0191(3) Uani 1 1 d . . . . .
O13 O 0.34854(7) 0.39571(8) 0.83332(6) 0.0193(3) Uani 1 1 d . . . . .
O12 O 0.38117(7) 0.43530(8) 0.72883(6) 0.0192(3) Uani 1 1 d . . . . .
O10 O 0.11760(8) 0.34496(8) 0.71407(6) 0.0204(3) Uani 1 1 d . . . . .
O19 O 0.37506(8) 0.25694(8) 0.84332(6) 0.0223(3) Uani 1 1 d . . . . .
O18 O 0.44452(8) 0.33514(8) 0.78271(6) 0.0219(3) Uani 1 1 d . . . . .
O3 O 0.20591(8) 0.60808(8) 0.78385(6) 0.0236(3) Uani 1 1 d . . . . .
O17 O 0.42122(8) 0.31418(9) 0.68775(6) 0.0215(3) Uani 1 1 d . . . . .
O16 O 0.33078(8) 0.21140(8) 0.67629(6) 0.0230(3) Uani 1 1 d . . . . .
O7 O 0.28815(8) 0.53434(8) 0.72828(6) 0.0203(3) Uani 1 1 d . . . . .
O1 O 0.07690(8) 0.47203(9) 0.67775(6) 0.0231(3) Uani 1 1 d . . . . .
O5 O 0.04720(8) 0.43342(9) 0.76818(6) 0.0241(3) Uani 1 1 d . . . . .
O2 O 0.16834(8) 0.57300(8) 0.69204(6) 0.0224(3) Uani 1 1 d . . . . .
O23 O 0.23815(9) 0.38147(10) 0.90877(6) 0.0281(4) Uani 1 1 d . . . . .
O24 O 0.11569(8) 0.22198(9) 0.79007(7) 0.0275(4) Uani 1 1 d . . . . .
O4 O 0.12524(8) 0.51618(9) 0.82381(7) 0.0245(3) Uani 1 1 d . . . . .
O27 O 0.15343(9) 0.29367(9) 0.61616(6) 0.0278(4) Uani 1 1 d . . . . .
O20 O 0.31143(8) 0.18859(9) 0.77060(6) 0.0235(3) Uani 1 1 d . . . . .
O21 O 0.33852(9) 0.49629(10) 0.62838(7) 0.0313(4) Uani 1 1 d . . . . .
O22 O 0.39995(9) 0.54553(9) 0.80854(7) 0.0289(4) Uani 1 1 d . . . . .
O100 O 0.24886(8) 0.38750(9) 0.75286(6) 0.0225(3) Uani 1 1 d . . . . .
H100 H 0.2238 0.4204 0.7410 0.034 Uiso 1 1 d R . . . .
N4 N 0.03212(12) 0.14584(13) 0.76694(10) 0.0376(5) Uani 1 1 d . . . . .
N6 N 0.19664(12) 0.14002(13) 1.00557(8) 0.0344(5) Uani 1 1 d . . . . .
C71 C 0.51935(11) 0.41415(13) 0.71621(10) 0.0255(5) Uani 1 1 d . . . . .
N3 N 0.08858(13) 0.19860(14) 0.59312(9) 0.0400(6) Uani 1 1 d . . . . .
N5 N -0.07237(14) 0.25135(14) 0.88384(12) 0.0467(6) Uani 1 1 d . . . . .
N1 N 0.47790(14) 0.62244(15) 0.78296(10) 0.0445(6) Uani 1 1 d . . . . .
O26 O 0.17148(16) 0.22998(15) 0.95230(10) 0.0659(8) Uani 1 1 d . . . . .
C21 C 0.26752(12) 0.68113(12) 0.70777(10) 0.0284(5) Uani 1 1 d . . . . .
C11 C 0.12759(14) 0.54188(14) 0.59473(9) 0.0302(5) Uani 1 1 d . . . . .
C51 C -0.02012(12) 0.36466(14) 0.68939(10) 0.0284(5) Uani 1 1 d . . . . .
C81 C 0.46888(12) 0.35701(14) 0.88404(9) 0.0262(5) Uani 1 1 d . . . . .
C91 C 0.28811(12) 0.14453(12) 0.86680(9) 0.0247(4) Uani 1 1 d . . . . .
C41 C 0.03369(12) 0.43330(13) 0.87070(9) 0.0253(5) Uani 1 1 d . . . . .
C101 C 0.24797(12) 0.09833(12) 0.69989(10) 0.0287(5) Uani 1 1 d . . . . .
C61 C 0.38312(12) 0.27437(16) 0.59202(9) 0.0311(5) Uani 1 1 d . . . . .
C27 C 0.13077(13) 0.23333(14) 0.62304(10) 0.0309(5) Uani 1 1 d . . . . .
H27 H 0.1450 0.2097 0.6525 0.037 Uiso 1 1 calc R . . . .
C31 C 0.20317(13) 0.60469(13) 0.88797(10) 0.0293(5) Uani 1 1 d . . . . .
N2 N 0.42499(15) 0.55668(16) 0.59937(11) 0.0521(7) Uani 1 1 d . . . . .
C9 C 0.07028(13) 0.20220(14) 0.76061(10) 0.0300(5) Uani 1 1 d . . . . .
H9 H 0.0626 0.2296 0.7316 0.036 Uiso 1 1 calc R . . . .
O25 O 0.03728(14) 0.24942(17) 0.88035(16) 0.0878(11) Uani 1 1 d . . . . .
C16 C 0.18146(18) 0.56537(15) 0.56836(10) 0.0400(7) Uani 1 1 d . . . . .
H16 H 0.2251 0.5614 0.5828 0.048 Uiso 1 1 calc R . . . .
C37 C 0.42184(13) 0.58623(14) 0.77770(11) 0.0330(6) Uani 1 1 d . . . . .
H37 H 0.3964 0.5920 0.7478 0.040 Uiso 1 1 calc R . . . .
C96 C 0.22746(14) 0.10799(15) 0.86238(11) 0.0365(6) Uani 1 1 d . . . . .
H96 H 0.1937 0.1254 0.8400 0.044 Uiso 1 1 calc R . . . .
N7 N 0.26741(19) 0.43035(18) 0.98204(10) 0.0603(9) Uani 1 1 d . . . . .
C92 C 0.33508(13) 0.11924(15) 0.90221(10) 0.0312(5) Uani 1 1 d . . . . .
H92 H 0.3761 0.1439 0.9073 0.037 Uiso 1 1 calc R . . . .
C93 C 0.32275(16) 0.05898(17) 0.92982(11) 0.0413(7) Uani 1 1 d . . . . .
H93 H 0.3553 0.0427 0.9535 0.050 Uiso 1 1 calc R . . . .
C86 C 0.51606(14) 0.30861(17) 0.90194(10) 0.0359(6) Uani 1 1 d . . . . .
H86 H 0.5174 0.2623 0.8877 0.043 Uiso 1 1 calc R . . . .
C47 C 0.39298(16) 0.52536(16) 0.63465(11) 0.0403(7) Uani 1 1 d . . . . .
H47 H 0.4133 0.5253 0.6668 0.048 Uiso 1 1 calc R . . . .
C19 C 0.27336(17) 0.42071(18) 0.93448(11) 0.0425(7) Uani 1 1 d . . . . .
H19 H 0.3076 0.4462 0.9192 0.051 Uiso 1 1 calc R . . . .
C46 C -0.03526(13) 0.43884(14) 0.86404(11) 0.0325(5) Uani 1 1 d . . . . .
H46 H -0.0546 0.4427 0.8317 0.039 Uiso 1 1 calc R . . . .
C95 C 0.21505(17) 0.04647(17) 0.88996(13) 0.0462(7) Uani 1 1 d . . . . .
H95 H 0.1739 0.0219 0.8857 0.055 Uiso 1 1 calc R . . . .
C94 C 0.26311(18) 0.02227(16) 0.92308(12) 0.0465(8) Uani 1 1 d . . . . .
H94 H 0.2556 -0.0198 0.9415 0.056 Uiso 1 1 calc R . . . .
C42 C 0.05971(16) 0.42883(19) 0.91861(11) 0.0433(7) Uani 1 1 d . . . . .
H42 H 0.1064 0.4252 0.9245 0.052 Uiso 1 1 calc R . . . .
C76 C 0.55847(15) 0.4487(2) 0.75104(13) 0.0477(8) Uani 1 1 d . . . . .
H76 H 0.5457 0.4489 0.7841 0.057 Uiso 1 1 calc R . . . .
C1 C 0.24431(16) 0.10612(19) 1.03979(11) 0.0445(7) Uani 1 1 d . . . . .
H1A H 0.2269 0.1064 1.0727 0.067 Uiso 1 1 calc GR . . . .
H1B H 0.2864 0.1325 1.0402 0.067 Uiso 1 1 calc GR . . . .
H1C H 0.2518 0.0566 1.0295 0.067 Uiso 1 1 calc GR . . . .
C106 C 0.27252(17) 0.06090(15) 0.66063(12) 0.0417(7) Uani 1 1 d . . . . .
H106 H 0.3015 0.0842 0.6393 0.050 Uiso 1 1 calc R . . . .
C45 C -0.07621(16) 0.43890(18) 0.90338(13) 0.0456(7) Uani 1 1 d . . . . .
H45 H -0.1230 0.4423 0.8979 0.055 Uiso 1 1 calc R . . . .
C85 C 0.56149(15) 0.3256(2) 0.94007(12) 0.0481(8) Uani 1 1 d . . . . .
H85 H 0.5928 0.2910 0.9520 0.058 Uiso 1 1 calc R . . . .
C102 C 0.20477(16) 0.06164(16) 0.72917(13) 0.0436(7) Uani 1 1 d . . . . .
H102 H 0.1858 0.0863 0.7556 0.052 Uiso 1 1 calc R . . . .
C12 C 0.06456(18) 0.5481(2) 0.57259(11) 0.0520(9) Uani 1 1 d . . . . .
H12 H 0.0271 0.5326 0.5897 0.062 Uiso 1 1 calc R . . . .
C43 C 0.0186(2) 0.4296(2) 0.95803(12) 0.0549(9) Uani 1 1 d . . . . .
H43 H 0.0375 0.4271 0.9905 0.066 Uiso 1 1 calc R . . . .
C75 C 0.61695(16) 0.4839(2) 0.73898(16) 0.0550(9) Uani 1 1 d . . . . .
H75 H 0.6426 0.5084 0.7638 0.066 Uiso 1 1 calc R . . . .
C74 C 0.63732(16) 0.4833(2) 0.69265(16) 0.0564(10) Uani 1 1 d . . . . .
H74 H 0.6762 0.5087 0.6846 0.068 Uiso 1 1 calc R . . . .
C66 C 0.40993(17) 0.3322(2) 0.56715(12) 0.0495(8) Uani 1 1 d . . . . .
H66 H 0.4156 0.3768 0.5835 0.059 Uiso 1 1 calc R . . . .
C36 C 0.14829(17) 0.6222(2) 0.91360(12) 0.0474(8) Uani 1 1 d . . . . .
H36 H 0.1055 0.6071 0.9016 0.057 Uiso 1 1 calc R . . . .
C2 C 0.13272(16) 0.10590(19) 0.99929(14) 0.0495(8) Uani 1 1 d . . . . .
H2A H 0.1385 0.0570 0.9872 0.074 Uiso 1 1 calc GR . . . .
H2B H 0.1047 0.1330 0.9756 0.074 Uiso 1 1 calc GR . . . .
H2C H 0.1114 0.1044 1.0308 0.074 Uiso 1 1 calc GR . . . .
C7 C 0.04149(18) 0.09994(19) 0.80910(16) 0.0574(10) Uani 1 1 d . . . . .
H7A H 0.0684 0.0585 0.8006 0.086 Uiso 1 1 calc GR . . . .
H7B H -0.0019 0.0836 0.8195 0.086 Uiso 1 1 calc GR . . . .
H7C H 0.0643 0.1265 0.8359 0.086 Uiso 1 1 calc GR . . . .
C6 C -0.0129(2) 0.2512(2) 0.90297(17) 0.0607(10) Uani 1 1 d . . . . .
H6 H -0.0079 0.2527 0.9377 0.073 Uiso 1 1 calc R . . . .
C44 C -0.04917(19) 0.43407(19) 0.95032(14) 0.0543(9) Uani 1 1 d . . . . .
H44 H -0.0772 0.4338 0.9774 0.065 Uiso 1 1 calc R . . . .
C65 C 0.4286(2) 0.3256(3) 0.51861(14) 0.0696(13) Uani 1 1 d . . . . .
H65 H 0.4468 0.3657 0.5025 0.083 Uiso 1 1 calc R . . . .
C3 C 0.21012(19) 0.19804(18) 0.98090(12) 0.0481(8) Uani 1 1 d . . . . .
H3 H 0.2537 0.2171 0.9855 0.058 Uiso 1 1 calc R . . . .
C15 C 0.1727(2) 0.59467(19) 0.52108(12) 0.0599(11) Uani 1 1 d . . . . .
H15 H 0.2098 0.6108 0.5038 0.072 Uiso 1 1 calc R . . . .
C62 C 0.3779(2) 0.2104(2) 0.56664(12) 0.0557(9) Uani 1 1 d . . . . .
H62 H 0.3608 0.1694 0.5823 0.067 Uiso 1 1 calc R . . . .
C26 C 0.2840(2) 0.73635(19) 0.73943(16) 0.0693(13) Uani 1 1 d . . . . .
H26 H 0.2720 0.7331 0.7726 0.083 Uiso 1 1 calc R . . . .
C82 C 0.46958(18) 0.42548(19) 0.90502(13) 0.0525(9) Uani 1 1 d . . . . .
H82 H 0.4383 0.4602 0.8933 0.063 Uiso 1 1 calc R . . . .
C103 C 0.18827(19) -0.00985(18) 0.72119(16) 0.0569(10) Uani 1 1 d . . . . .
H103 H 0.1591 -0.0336 0.7422 0.068 Uiso 1 1 calc R . . . .
C104 C 0.2144(2) -0.04559(18) 0.68292(17) 0.0659(12) Uani 1 1 d . . . . .
H104 H 0.2042 -0.0947 0.6777 0.079 Uiso 1 1 calc R . . . .
C72 C 0.54255(18) 0.4124(3) 0.66886(14) 0.0615(11) Uani 1 1 d . . . . .
H72 H 0.5175 0.3877 0.6438 0.074 Uiso 1 1 calc R . . . .
C22 C 0.2874(2) 0.6883(2) 0.66061(14) 0.0613(11) Uani 1 1 d . . . . .
H22 H 0.2788 0.6507 0.6378 0.074 Uiso 1 1 calc R . . . .
C13 C 0.0552(2) 0.5768(3) 0.52524(14) 0.0759(15) Uani 1 1 d . . . . .
H13 H 0.0117 0.5806 0.5105 0.091 Uiso 1 1 calc R . . . .
C105 C 0.2550(2) -0.01090(19) 0.65219(16) 0.0623(11) Uani 1 1 d . . . . .
H105 H 0.2716 -0.0355 0.6249 0.075 Uiso 1 1 calc R . . . .
C84 C 0.5610(2) 0.3929(3) 0.96050(14) 0.0650(11) Uani 1 1 d . . . . .
H84 H 0.5918 0.4047 0.9867 0.078 Uiso 1 1 calc R . . . .
C18 C 0.2168(2) 0.3945(2) 1.00838(13) 0.0616(10) Uani 1 1 d . . . . .
H18A H 0.1841 0.4296 1.0187 0.092 Uiso 1 1 calc GR . . . .
H18B H 0.2372 0.3708 1.0373 0.092 Uiso 1 1 calc GR . . . .
H18C H 0.1947 0.3587 0.9870 0.092 Uiso 1 1 calc GR . . . .
C35 C 0.1543(2) 0.6619(2) 0.95722(14) 0.0606(10) Uani 1 1 d . . . . .
H35 H 0.1155 0.6742 0.9738 0.073 Uiso 1 1 calc R . . . .
C29 C 0.0658(2) 0.2298(2) 0.54610(13) 0.0583(10) Uani 1 1 d . . . . .
H29A H 0.0174 0.2355 0.5453 0.087 Uiso 1 1 calc GR . . . .
H29B H 0.0780 0.1981 0.5194 0.087 Uiso 1 1 calc GR . . . .
H29C H 0.0867 0.2767 0.5422 0.087 Uiso 1 1 calc GR . . . .
C24 C 0.3350(2) 0.80357(19) 0.67740(18) 0.0682(12) Uani 1 1 d . . . . .
H24 H 0.3573 0.8453 0.6670 0.082 Uiso 1 1 calc R . . . .
C8 C -0.0214(2) 0.1271(2) 0.73092(15) 0.0646(11) Uani 1 1 d . . . . .
H8A H -0.0263 0.1651 0.7063 0.097 Uiso 1 1 calc GR . . . .
H8B H -0.0632 0.1216 0.7476 0.097 Uiso 1 1 calc GR . . . .
H8C H -0.0106 0.0820 0.7148 0.097 Uiso 1 1 calc GR . . . .
C28 C 0.0652(3) 0.1274(2) 0.60426(15) 0.0743(14) Uani 1 1 d . . . . .
H28A H 0.0746 0.0950 0.5772 0.111 Uiso 1 1 calc GR . . . .
H28B H 0.0172 0.1288 0.6086 0.111 Uiso 1 1 calc GR . . . .
H28C H 0.0880 0.1103 0.6345 0.111 Uiso 1 1 calc GR . . . .
C38 C 0.5221(2) 0.6138(2) 0.82670(15) 0.0664(12) Uani 1 1 d . . . . .
H38A H 0.5235 0.6585 0.8455 0.100 Uiso 1 1 calc GR . . . .
H38B H 0.5670 0.6019 0.8168 0.100 Uiso 1 1 calc GR . . . .
H38C H 0.5055 0.5751 0.8471 0.100 Uiso 1 1 calc GR . . . .
C14 C 0.1089(3) 0.5994(2) 0.50038(14) 0.0825(17) Uani 1 1 d . . . . .
H14 H 0.1021 0.6187 0.4683 0.099 Uiso 1 1 calc R . . . .
C34 C 0.2147(2) 0.6830(2) 0.97599(15) 0.0664(11) Uani 1 1 d . . . . .
H34 H 0.2184 0.7118 1.0047 0.080 Uiso 1 1 calc R . . . .
C25 C 0.3177(3) 0.7968(2) 0.7243(2) 0.0887(18) Uani 1 1 d . . . . .
H25 H 0.3286 0.8337 0.7472 0.106 Uiso 1 1 calc R . . . .
C32 C 0.26450(19) 0.6230(3) 0.90925(16) 0.0705(13) Uani 1 1 d . . . . .
H32 H 0.3036 0.6086 0.8938 0.085 Uiso 1 1 calc R . . . .
C63 C 0.3976(3) 0.2054(3) 0.51782(15) 0.0780(15) Uani 1 1 d . . . . .
H63 H 0.3943 0.1608 0.5012 0.094 Uiso 1 1 calc R . . . .
C54 C -0.1334(2) 0.2890(3) 0.65522(19) 0.0800(15) Uani 1 1 d . . . . .
H54 H -0.1741 0.2685 0.6430 0.096 Uiso 1 1 calc R . . . .
C64 C 0.4211(2) 0.2630(3) 0.49448(14) 0.0773(15) Uani 1 1 d . . . . .
H64 H 0.4324 0.2595 0.4612 0.093 Uiso 1 1 calc R . . . .
C23 C 0.3201(3) 0.7499(2) 0.64543(17) 0.0741(13) Uani 1 1 d . . . . .
H23 H 0.3320 0.7541 0.6123 0.089 Uiso 1 1 calc R . . . .
C52 C -0.06874(19) 0.3474(3) 0.71988(17) 0.0747(14) Uani 1 1 d . . . . .
H52 H -0.0639 0.3612 0.7533 0.090 Uiso 1 1 calc R . . . .
C83 C 0.5156(2) 0.4433(2) 0.94287(17) 0.0764(14) Uani 1 1 d . . . . .
H83 H 0.5157 0.4900 0.9565 0.092 Uiso 1 1 calc R . . . .
C56 C -0.0246(2) 0.3365(2) 0.64136(15) 0.0629(11) Uani 1 1 d . . . . .
H56 H 0.0110 0.3434 0.6202 0.075 Uiso 1 1 calc R . . . .
C73 C 0.6018(2) 0.4462(3) 0.65751(17) 0.0762(14) Uani 1 1 d . . . . .
H73 H 0.6172 0.4433 0.6252 0.091 Uiso 1 1 calc R . . . .
C39 C 0.5010(3) 0.6699(3) 0.74498(17) 0.0883(18) Uani 1 1 d . . . . .
H39A H 0.5442 0.6532 0.7345 0.132 Uiso 1 1 calc GR . . . .
H39B H 0.5054 0.7186 0.7580 0.132 Uiso 1 1 calc GR . . . .
H39C H 0.4689 0.6696 0.7169 0.132 Uiso 1 1 calc GR . . . .
C5 C -0.0885(3) 0.2485(3) 0.8329(2) 0.0887(16) Uani 1 1 d . . . . .
H5A H -0.0482 0.2560 0.8148 0.133 Uiso 1 1 calc GR . . . .
H5B H -0.1210 0.2858 0.8241 0.133 Uiso 1 1 calc GR . . . .
H5C H -0.1074 0.2015 0.8245 0.133 Uiso 1 1 calc GR . . . .
C49 C 0.4932(2) 0.5841(3) 0.6092(2) 0.0817(15) Uani 1 1 d . . . . .
H49A H 0.4932 0.6363 0.6061 0.122 Uiso 1 1 calc GR . . . .
H49B H 0.5228 0.5635 0.5855 0.122 Uiso 1 1 calc GR . . . .
H49C H 0.5088 0.5707 0.6425 0.122 Uiso 1 1 calc GR . . . .
C55 C -0.0813(2) 0.2983(3) 0.62454(18) 0.0756(13) Uani 1 1 d . . . . .
H55 H -0.0838 0.2789 0.5923 0.091 Uiso 1 1 calc R . . . .
C33 C 0.2705(2) 0.6621(3) 0.95282(18) 0.0905(18) Uani 1 1 d . . . . .
H33 H 0.3133 0.6742 0.9665 0.109 Uiso 1 1 calc R . . . .
C4 C -0.1303(3) 0.2546(3) 0.9141(3) 0.103(2) Uani 1 1 d . . . . .
H4A H -0.1160 0.2485 0.9487 0.154 Uiso 1 1 calc GR . . . .
H4B H -0.1615 0.2164 0.9043 0.154 Uiso 1 1 calc GR . . . .
H4C H -0.1522 0.3011 0.9097 0.154 Uiso 1 1 calc GR . . . .
C53 C -0.1259(2) 0.3100(3) 0.7038(2) 0.099(2) Uani 1 1 d . . . . .
H53 H -0.1593 0.2990 0.7261 0.119 Uiso 1 1 calc R . . . .
C17 C 0.3104(4) 0.4807(4) 1.00976(18) 0.131(3) Uani 1 1 d . . . . .
H17A H 0.3458 0.4972 0.9891 0.197 Uiso 1 1 calc GR . . . .
H17B H 0.3301 0.4568 1.0389 0.197 Uiso 1 1 calc GR . . . .
H17C H 0.2840 0.5218 1.0198 0.197 Uiso 1 1 calc GR . . . .
C48 C 0.4001(3) 0.5567(5) 0.55023(19) 0.137(3) Uani 1 1 d . . . . .
H48A H 0.3600 0.5271 0.5473 0.206 Uiso 1 1 calc GR . . . .
H48B H 0.4338 0.5373 0.5292 0.206 Uiso 1 1 calc GR . . . .
H48C H 0.3892 0.6058 0.5401 0.206 Uiso 1 1 calc GR . . . .


_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
Ni4 Ni3 2.6959(4) . ?
Ni4 Ni5 2.7121(5) . ?
Ni4 Na1 3.0643(12) . ?
Ni4 O14 2.0581(15) . ?
Ni4 O15 2.0335(16) . ?
Ni4 O9 2.0778(16) . ?
Ni4 O10 2.0308(15) . ?
Ni4 O24 2.0604(17) . ?
Ni4 O100 2.1936(16) . ?
Ni1 Ni5 2.7401(4) . ?
Ni1 Ni2 2.7660(5) . ?
Ni1 O6 2.0224(15) . ?
Ni1 O11 2.0195(16) . ?
Ni1 O12 2.0280(15) . ?
Ni1 O7 2.0236(16) . ?
Ni1 O21 2.0564(18) . ?
Ni1 O100 2.3624(16) . ?
Ni3 Ni2 2.7187(4) . ?
Ni3 Na1 3.1609(11) . ?
Ni3 O14 2.0477(15) . ?
Ni3 O8 2.0225(16) . ?
Ni3 O9 2.0637(15) . ?
Ni3 O13 2.0245(15) . ?
Ni3 O23 2.0608(18) . ?
Ni3 O100 2.2194(16) . ?
Ni5 O6 2.0212(16) . ?
Ni5 O15 2.0419(16) . ?
Ni5 O11 2.0156(15) . ?
Ni5 O10 2.0320(16) . ?
Ni5 O27 2.0696(17) . ?
Ni2 O8 2.0204(16) . ?
Ni2 O13 2.0254(15) . ?
Ni2 O12 2.0243(16) . ?
Ni2 O7 2.0236(16) . ?
Ni2 O22 2.0523(17) . ?
Ni2 O100 2.4059(16) . ?
Si7 O12 1.5970(16) . ?
Si7 O18 1.6266(17) . ?
Si7 O17 1.6339(17) . ?
Si7 C71 1.862(2) . ?
Si8 O13 1.5906(16) . ?
Si8 O19 1.6408(17) . ?
Si8 O18 1.6367(17) . ?
Si8 C81 1.862(2) . ?
Si1 O6 1.5941(16) . ?
Si1 O1 1.6379(17) . ?
Si1 O2 1.6379(18) . ?
Si1 C11 1.873(3) . ?
Si4 O9 1.6044(16) . ?
Si4 O5 1.6346(17) . ?
Si4 O4 1.6305(17) . ?
Si4 C41 1.865(3) . ?
Si9 O14 1.6054(16) . ?
Si9 O19 1.6400(16) . ?
Si9 O20 1.6334(18) . ?
Si9 C91 1.859(2) . ?
Si3 O8 1.5907(17) . ?
Si3 O3 1.6372(18) . ?
Si3 O4 1.6308(17) . ?
Si3 C31 1.867(3) . ?
Si5 O10 1.5989(16) . ?
Si5 O1 1.6405(17) . ?
Si5 O5 1.6350(18) . ?
Si5 C51 1.863(3) . ?
Si6 O11 1.5959(16) . ?
Si6 O17 1.6370(17) . ?
Si6 O16 1.6367(18) . ?
Si6 C61 1.864(3) . ?
Si2 O3 1.6399(18) . ?
Si2 O7 1.5951(16) . ?
Si2 O2 1.6403(18) . ?
Si2 C21 1.867(2) . ?
Si10 O15 1.5999(16) . ?
Si10 O16 1.6386(18) . ?
Si10 O20 1.6311(17) . ?
Si10 C101 1.872(2) . ?
Na1 O14 2.4096(19) . ?
Na1 O9 2.3771(19) . ?
Na1 O23 2.799(2) . ?
Na1 O24 2.632(2) . ?
Na1 O26 2.236(3) . ?
Na1 O25 2.301(3) . ?
O23 C19 1.219(3) . ?
O24 C9 1.245(3) . ?
O27 C27 1.234(3) . ?
O21 C47 1.229(4) . ?
O22 C37 1.232(3) . ?
O100 H100 0.8499 . ?
N4 C9 1.320(3) . ?
N4 C7 1.441(4) . ?
N4 C8 1.468(4) . ?
N6 C1 1.453(4) . ?
N6 C2 1.440(4) . ?
N6 C3 1.312(4) . ?
C71 C76 1.368(4) . ?
C71 C72 1.396(4) . ?
N3 C27 1.321(3) . ?
N3 C29 1.464(4) . ?
N3 C28 1.448(4) . ?
N5 C6 1.285(5) . ?
N5 C5 1.415(6) . ?
N5 C4 1.462(5) . ?
N1 C37 1.318(3) . ?
N1 C38 1.465(5) . ?
N1 C39 1.457(5) . ?
O26 C3 1.231(4) . ?
C21 C26 1.377(5) . ?
C21 C22 1.373(4) . ?
C11 C16 1.401(4) . ?
C11 C12 1.385(4) . ?
C51 C52 1.354(5) . ?
C51 C56 1.412(5) . ?
C81 C86 1.384(4) . ?
C81 C82 1.402(4) . ?
C91 C96 1.400(4) . ?
C91 C92 1.403(3) . ?
C41 C46 1.396(3) . ?
C41 C42 1.389(4) . ?
C101 C106 1.390(4) . ?
C101 C102 1.390(4) . ?
C61 C66 1.398(5) . ?
C61 C62 1.383(4) . ?
C27 H27 0.9500 . ?
C31 C36 1.375(4) . ?
C31 C32 1.383(4) . ?
N2 C47 1.321(4) . ?
N2 C49 1.479(5) . ?
N2 C48 1.410(6) . ?
C9 H9 0.9500 . ?
O25 C6 1.209(5) . ?
C16 H16 0.9500 . ?
C16 C15 1.406(4) . ?
C37 H37 0.9500 . ?
C96 H96 0.9500 . ?
C96 C95 1.403(4) . ?
N7 C19 1.322(4) . ?
N7 C18 1.440(5) . ?
N7 C17 1.465(5) . ?
C92 H92 0.9500 . ?
C92 C93 1.384(4) . ?
C93 H93 0.9500 . ?
C93 C94 1.388(5) . ?
C86 H86 0.9500 . ?
C86 C85 1.390(4) . ?
C47 H47 0.9500 . ?
C19 H19 0.9500 . ?
C46 H46 0.9500 . ?
C46 C45 1.385(4) . ?
C95 H95 0.9500 . ?
C95 C94 1.370(5) . ?
C94 H94 0.9500 . ?
C42 H42 0.9500 . ?
C42 C43 1.388(4) . ?
C76 H76 0.9500 . ?
C76 C75 1.401(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C106 H106 0.9500 . ?
C106 C105 1.404(4) . ?
C45 H45 0.9500 . ?
C45 C44 1.372(5) . ?
C85 H85 0.9500 . ?
C85 C84 1.375(6) . ?
C102 H102 0.9500 . ?
C102 C103 1.392(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.405(5) . ?
C43 H43 0.9500 . ?
C43 C44 1.374(5) . ?
C75 H75 0.9500 . ?
C75 C74 1.348(6) . ?
C74 H74 0.9500 . ?
C74 C73 1.360(6) . ?
C66 H66 0.9500 . ?
C66 C65 1.400(5) . ?
C36 H36 0.9500 . ?
C36 C35 1.404(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C6 H6 0.9500 . ?
C44 H44 0.9500 . ?
C65 H65 0.9500 . ?
C65 C64 1.347(7) . ?
C3 H3 0.9500 . ?
C15 H15 0.9500 . ?
C15 C14 1.383(7) . ?
C62 H62 0.9500 . ?
C62 C63 1.412(5) . ?
C26 H26 0.9500 . ?
C26 C25 1.391(5) . ?
C82 H82 0.9500 . ?
C82 C83 1.395(5) . ?
C103 H103 0.9500 . ?
C103 C104 1.366(6) . ?
C104 H104 0.9500 . ?
C104 C105 1.364(6) . ?
C72 H72 0.9500 . ?
C72 C73 1.397(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.398(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.370(7) . ?
C105 H105 0.9500 . ?
C84 H84 0.9500 . ?
C84 C83 1.384(6) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C35 H35 0.9500 . ?
C35 C34 1.357(6) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C24 H24 0.9500 . ?
C24 C25 1.348(6) . ?
C24 C23 1.354(6) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C14 H14 0.9500 . ?
C34 H34 0.9500 . ?
C34 C33 1.371(6) . ?
C25 H25 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.397(5) . ?
C63 H63 0.9500 . ?
C63 C64 1.349(7) . ?
C54 H54 0.9500 . ?
C54 C55 1.385(7) . ?
C54 C53 1.384(7) . ?
C64 H64 0.9500 . ?
C23 H23 0.9500 . ?
C52 H52 0.9500 . ?
C52 C53 1.400(5) . ?
C83 H83 0.9500 . ?
C56 H56 0.9500 . ?
C56 C55 1.405(5) . ?
C73 H73 0.9500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C55 H55 0.9500 . ?
C33 H33 0.9500 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C53 H53 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?

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
Ni3 Ni4 Ni5 110.571(13) . . ?
Ni3 Ni4 Na1 66.20(3) . . ?
Ni5 Ni4 Na1 176.14(3) . . ?
O14 Ni4 Ni3 48.79(4) . . ?
O14 Ni4 Ni5 128.15(5) . . ?
O14 Ni4 Na1 51.69(5) . . ?
O14 Ni4 O9 79.99(6) . . ?
O14 Ni4 O24 89.37(6) . . ?
O14 Ni4 O100 85.18(6) . . ?
O15 Ni4 Ni3 124.86(5) . . ?
O15 Ni4 Ni5 48.41(4) . . ?
O15 Ni4 Na1 134.97(5) . . ?
O15 Ni4 O14 99.71(6) . . ?
O15 Ni4 O9 171.78(6) . . ?
O15 Ni4 O24 93.14(7) . . ?
O15 Ni4 O100 86.43(6) . . ?
O9 Ni4 Ni3 49.16(4) . . ?
O9 Ni4 Ni5 125.65(4) . . ?
O9 Ni4 Na1 50.75(5) . . ?
O9 Ni4 O100 85.36(6) . . ?
O10 Ni4 Ni3 123.70(5) . . ?
O10 Ni4 Ni5 48.14(5) . . ?
O10 Ni4 Na1 131.36(5) . . ?
O10 Ni4 O14 171.83(6) . . ?
O10 Ni4 O15 82.33(6) . . ?
O10 Ni4 O9 96.85(6) . . ?
O10 Ni4 O24 98.45(7) . . ?
O10 Ni4 O100 87.06(6) . . ?
O24 Ni4 Ni3 123.81(5) . . ?
O24 Ni4 Ni5 125.49(5) . . ?
O24 Ni4 Na1 57.90(6) . . ?
O24 Ni4 O9 95.07(7) . . ?
O24 Ni4 O100 174.38(7) . . ?
O100 Ni4 Ni3 52.78(4) . . ?
O100 Ni4 Ni5 57.81(4) . . ?
O100 Ni4 Na1 118.98(5) . . ?
Ni5 Ni1 Ni2 111.171(13) . . ?
O6 Ni1 Ni5 47.32(4) . . ?
O6 Ni1 Ni2 123.66(5) . . ?
O6 Ni1 O12 166.79(6) . . ?
O6 Ni1 O7 97.58(6) . . ?
O6 Ni1 O21 96.34(7) . . ?
O6 Ni1 O100 83.98(6) . . ?
O11 Ni1 Ni5 47.17(4) . . ?
O11 Ni1 Ni2 124.01(5) . . ?
O11 Ni1 O6 81.66(6) . . ?
O11 Ni1 O12 96.90(6) . . ?
O11 Ni1 O7 167.95(6) . . ?
O11 Ni1 O21 95.73(7) . . ?
O11 Ni1 O100 84.08(6) . . ?
O12 Ni1 Ni5 123.16(5) . . ?
O12 Ni1 Ni2 46.90(4) . . ?
O12 Ni1 O21 96.86(7) . . ?
O12 Ni1 O100 82.81(6) . . ?
O7 Ni1 Ni5 124.53(5) . . ?
O7 Ni1 Ni2 46.89(4) . . ?
O7 Ni1 O12 81.07(6) . . ?
O7 Ni1 O21 96.30(7) . . ?
O7 Ni1 O100 83.88(6) . . ?
O21 Ni1 Ni5 124.20(6) . . ?
O21 Ni1 Ni2 124.63(6) . . ?
O21 Ni1 O100 179.61(7) . . ?
O100 Ni1 Ni5 55.89(4) . . ?
O100 Ni1 Ni2 55.28(4) . . ?
Ni4 Ni3 Ni2 109.155(14) . . ?
Ni4 Ni3 Na1 62.50(3) . . ?
Ni2 Ni3 Na1 171.65(3) . . ?
O14 Ni3 Ni4 49.13(4) . . ?
O14 Ni3 Ni2 125.45(5) . . ?
O14 Ni3 Na1 49.67(5) . . ?
O14 Ni3 O9 80.57(6) . . ?
O14 Ni3 O23 93.26(7) . . ?
O14 Ni3 O100 84.77(6) . . ?
O8 Ni3 Ni4 125.37(5) . . ?
O8 Ni3 Ni2 47.71(4) . . ?
O8 Ni3 Na1 136.29(5) . . ?
O8 Ni3 O14 171.60(6) . . ?
O8 Ni3 O9 100.09(6) . . ?
O8 Ni3 O13 80.35(6) . . ?
O8 Ni3 O23 95.12(7) . . ?
O8 Ni3 O100 86.94(6) . . ?
O9 Ni3 Ni4 49.62(4) . . ?
O9 Ni3 Ni2 126.74(4) . . ?
O9 Ni3 Na1 48.76(5) . . ?
O9 Ni3 O100 85.04(6) . . ?
O13 Ni3 Ni4 123.29(5) . . ?
O13 Ni3 Ni2 47.85(4) . . ?
O13 Ni3 Na1 135.43(5) . . ?
O13 Ni3 O14 97.74(6) . . ?
O13 Ni3 O9 171.42(6) . . ?
O13 Ni3 O23 99.28(7) . . ?
O13 Ni3 O100 86.43(6) . . ?
O23 Ni3 Ni4 123.00(5) . . ?
O23 Ni3 Ni2 127.79(5) . . ?
O23 Ni3 Na1 60.55(6) . . ?
O23 Ni3 O9 89.23(7) . . ?
O23 Ni3 O100 174.17(6) . . ?
O100 Ni3 Ni4 51.91(4) . . ?
O100 Ni3 Ni2 57.25(4) . . ?
O100 Ni3 Na1 114.41(5) . . ?
Ni4 Ni5 Ni1 104.368(13) . . ?
O6 Ni5 Ni4 119.44(5) . . ?
O6 Ni5 Ni1 47.36(4) . . ?
O6 Ni5 O15 163.27(6) . . ?
O6 Ni5 O10 96.21(6) . . ?
O6 Ni5 O27 101.87(7) . . ?
O15 Ni5 Ni4 48.15(5) . . ?
O15 Ni5 Ni1 119.76(4) . . ?
O15 Ni5 O27 94.84(7) . . ?
O11 Ni5 Ni4 119.55(5) . . ?
O11 Ni5 Ni1 47.29(4) . . ?
O11 Ni5 O6 81.78(6) . . ?
O11 Ni5 O15 95.29(6) . . ?
O11 Ni5 O10 164.15(6) . . ?
O11 Ni5 O27 103.38(7) . . ?
O10 Ni5 Ni4 48.10(4) . . ?
O10 Ni5 Ni1 120.99(5) . . ?
O10 Ni5 O15 82.09(6) . . ?
O10 Ni5 O27 92.43(7) . . ?
O27 Ni5 Ni4 122.54(5) . . ?
O27 Ni5 Ni1 133.07(5) . . ?
Ni3 Ni2 Ni1 104.677(13) . . ?
O8 Ni2 Ni1 120.85(5) . . ?
O8 Ni2 Ni3 47.78(5) . . ?
O8 Ni2 O13 80.38(6) . . ?
O8 Ni2 O12 163.90(6) . . ?
O8 Ni2 O7 96.36(6) . . ?
O8 Ni2 O22 101.01(7) . . ?
O8 Ni2 O100 82.12(6) . . ?
O13 Ni2 Ni1 122.09(5) . . ?
O13 Ni2 Ni3 47.82(4) . . ?
O13 Ni2 O22 97.76(7) . . ?
O13 Ni2 O100 81.59(6) . . ?
O12 Ni2 Ni1 47.01(4) . . ?
O12 Ni2 Ni3 119.93(5) . . ?
O12 Ni2 O13 97.69(6) . . ?
O12 Ni2 O22 95.09(7) . . ?
O12 Ni2 O100 81.79(6) . . ?
O7 Ni2 Ni1 46.89(5) . . ?
O7 Ni2 Ni3 119.42(5) . . ?
O7 Ni2 O13 164.31(6) . . ?
O7 Ni2 O12 81.16(6) . . ?
O7 Ni2 O22 97.93(7) . . ?
O7 Ni2 O100 82.76(6) . . ?
O22 Ni2 Ni1 124.56(5) . . ?
O22 Ni2 Ni3 130.72(5) . . ?
O22 Ni2 O100 176.68(7) . . ?
O100 Ni2 Ni1 53.81(4) . . ?
O100 Ni2 Ni3 50.88(4) . . ?
O12 Si7 O18 111.72(9) . . ?
O12 Si7 O17 111.33(8) . . ?
O12 Si7 C71 110.62(10) . . ?
O18 Si7 O17 108.29(9) . . ?
O18 Si7 C71 108.24(10) . . ?
O17 Si7 C71 106.43(10) . . ?
O13 Si8 O19 110.75(8) . . ?
O13 Si8 O18 112.24(8) . . ?
O13 Si8 C81 109.79(10) . . ?
O19 Si8 C81 108.61(10) . . ?
O18 Si8 O19 108.22(9) . . ?
O18 Si8 C81 107.10(10) . . ?
O6 Si1 O1 111.22(9) . . ?
O6 Si1 O2 112.15(9) . . ?
O6 Si1 C11 111.05(10) . . ?
O1 Si1 C11 108.17(11) . . ?
O2 Si1 O1 108.15(9) . . ?
O2 Si1 C11 105.87(11) . . ?
O9 Si4 O5 112.45(9) . . ?
O9 Si4 O4 111.97(9) . . ?
O9 Si4 C41 112.32(10) . . ?
O5 Si4 C41 107.50(10) . . ?
O4 Si4 O5 107.63(9) . . ?
O4 Si4 C41 104.52(10) . . ?
O14 Si9 O19 112.75(8) . . ?
O14 Si9 O20 111.06(8) . . ?
O14 Si9 C91 110.33(10) . . ?
O19 Si9 C91 107.70(10) . . ?
O20 Si9 O19 107.58(9) . . ?
O20 Si9 C91 107.18(10) . . ?
O8 Si3 O3 111.78(9) . . ?
O8 Si3 O4 111.84(9) . . ?
O8 Si3 C31 109.26(11) . . ?
O3 Si3 C31 108.48(10) . . ?
O4 Si3 O3 107.52(9) . . ?
O4 Si3 C31 107.82(11) . . ?
O10 Si5 O1 112.07(9) . . ?
O10 Si5 O5 111.25(9) . . ?
O10 Si5 C51 110.45(10) . . ?
O1 Si5 C51 107.56(10) . . ?
O5 Si5 O1 109.05(9) . . ?
O5 Si5 C51 106.21(11) . . ?
O11 Si6 O17 111.61(8) . . ?
O11 Si6 O16 111.43(9) . . ?
O11 Si6 C61 111.83(10) . . ?
O17 Si6 C61 105.49(10) . . ?
O16 Si6 O17 108.41(9) . . ?
O16 Si6 C61 107.80(11) . . ?
O3 Si2 O2 108.74(9) . . ?
O3 Si2 C21 106.98(11) . . ?
O7 Si2 O3 111.86(9) . . ?
O7 Si2 O2 110.85(9) . . ?
O7 Si2 C21 109.22(10) . . ?
O2 Si2 C21 109.07(11) . . ?
O15 Si10 O16 112.35(9) . . ?
O15 Si10 O20 110.75(9) . . ?
O15 Si10 C101 112.61(10) . . ?
O16 Si10 C101 104.87(11) . . ?
O20 Si10 O16 108.72(9) . . ?
O20 Si10 C101 107.24(10) . . ?
Ni4 Na1 Ni3 51.296(18) . . ?
O14 Na1 Ni4 42.08(4) . . ?
O14 Na1 Ni3 40.38(4) . . ?
O14 Na1 O23 69.52(6) . . ?
O14 Na1 O24 69.97(6) . . ?
O9 Na1 Ni4 42.60(4) . . ?
O9 Na1 Ni3 40.76(4) . . ?
O9 Na1 O14 67.47(6) . . ?
O9 Na1 O23 67.50(6) . . ?
O9 Na1 O24 74.91(6) . . ?
O23 Na1 Ni4 91.14(5) . . ?
O23 Na1 Ni3 39.88(4) . . ?
O24 Na1 Ni4 41.55(4) . . ?
O24 Na1 Ni3 92.68(5) . . ?
O24 Na1 O23 132.54(7) . . ?
O26 Na1 Ni4 155.11(9) . . ?
O26 Na1 Ni3 118.76(10) . . ?
O26 Na1 O14 114.04(10) . . ?
O26 Na1 O9 148.54(11) . . ?
O26 Na1 O23 83.33(10) . . ?
O26 Na1 O24 136.31(10) . . ?
O26 Na1 O25 92.78(14) . . ?
O25 Na1 Ni4 107.05(12) . . ?
O25 Na1 Ni3 141.74(10) . . ?
O25 Na1 O14 145.41(13) . . ?
O25 Na1 O9 101.15(11) . . ?
O25 Na1 O23 138.40(11) . . ?
O25 Na1 O24 75.56(12) . . ?
Ni4 O14 Na1 86.23(6) . . ?
Ni3 O14 Ni4 82.08(6) . . ?
Ni3 O14 Na1 89.96(6) . . ?
Si9 O14 Ni4 128.46(9) . . ?
Si9 O14 Ni3 127.78(9) . . ?
Si9 O14 Na1 127.57(9) . . ?
Ni5 O6 Ni1 85.32(6) . . ?
Si1 O6 Ni1 130.05(9) . . ?
Si1 O6 Ni5 131.36(9) . . ?
Ni2 O8 Ni3 84.51(6) . . ?
Si3 O8 Ni3 129.06(9) . . ?
Si3 O8 Ni2 130.20(9) . . ?
Ni4 O15 Ni5 83.44(6) . . ?
Si10 O15 Ni4 129.55(9) . . ?
Si10 O15 Ni5 130.05(10) . . ?
Ni5 O11 Ni1 85.54(6) . . ?
Si6 O11 Ni1 130.61(9) . . ?
Si6 O11 Ni5 131.93(9) . . ?
Ni4 O9 Na1 86.64(6) . . ?
Ni3 O9 Ni4 81.23(6) . . ?
Ni3 O9 Na1 90.48(6) . . ?
Si4 O9 Ni4 128.88(9) . . ?
Si4 O9 Ni3 127.65(9) . . ?
Si4 O9 Na1 127.21(9) . . ?
Ni3 O13 Ni2 84.33(6) . . ?
Si8 O13 Ni3 131.14(9) . . ?
Si8 O13 Ni2 129.38(9) . . ?
Ni2 O12 Ni1 86.09(6) . . ?
Si7 O12 Ni1 130.78(9) . . ?
Si7 O12 Ni2 129.99(9) . . ?
Ni4 O10 Ni5 83.76(6) . . ?
Si5 O10 Ni4 131.81(10) . . ?
Si5 O10 Ni5 129.98(10) . . ?
Si9 O19 Si8 130.99(10) . . ?
Si7 O18 Si8 136.52(10) . . ?
Si3 O3 Si2 130.38(10) . . ?
Si7 O17 Si6 135.26(10) . . ?
Si6 O16 Si10 130.93(10) . . ?
Ni2 O7 Ni1 86.22(6) . . ?
Si2 O7 Ni1 131.16(10) . . ?
Si2 O7 Ni2 129.95(10) . . ?
Si1 O1 Si5 133.46(10) . . ?
Si4 O5 Si5 134.38(11) . . ?
Si1 O2 Si2 136.77(10) . . ?
Ni3 O23 Na1 79.57(6) . . ?
C19 O23 Ni3 117.50(19) . . ?
C19 O23 Na1 162.72(19) . . ?
Ni4 O24 Na1 80.55(6) . . ?
C9 O24 Ni4 118.43(17) . . ?
C9 O24 Na1 147.41(17) . . ?
Si4 O4 Si3 138.95(11) . . ?
C27 O27 Ni5 115.52(16) . . ?
Si10 O20 Si9 140.18(11) . . ?
C47 O21 Ni1 119.51(19) . . ?
C37 O22 Ni2 116.44(17) . . ?
Ni4 O100 Ni1 141.93(8) . . ?
Ni4 O100 Ni3 75.31(5) . . ?
Ni4 O100 Ni2 147.16(8) . . ?
Ni4 O100 H100 101.7 . . ?
Ni1 O100 Ni2 70.91(4) . . ?
Ni1 O100 H100 68.1 . . ?
Ni3 O100 Ni1 142.74(7) . . ?
Ni3 O100 Ni2 71.87(5) . . ?
Ni3 O100 H100 111.1 . . ?
Ni2 O100 H100 91.0 . . ?
C9 N4 C7 121.6(3) . . ?
C9 N4 C8 121.1(3) . . ?
C7 N4 C8 117.2(3) . . ?
C2 N6 C1 116.3(3) . . ?
C3 N6 C1 123.0(3) . . ?
C3 N6 C2 120.7(3) . . ?
C76 C71 Si7 122.4(2) . . ?
C76 C71 C72 116.6(3) . . ?
C72 C71 Si7 120.9(2) . . ?
C27 N3 C29 120.8(3) . . ?
C27 N3 C28 121.8(3) . . ?
C28 N3 C29 117.3(3) . . ?
C6 N5 C5 124.5(4) . . ?
C6 N5 C4 121.6(4) . . ?
C5 N5 C4 114.0(4) . . ?
C37 N1 C38 121.1(3) . . ?
C37 N1 C39 122.4(3) . . ?
C39 N1 C38 116.5(3) . . ?
C3 O26 Na1 148.9(2) . . ?
C26 C21 Si2 122.8(2) . . ?
C22 C21 Si2 120.3(2) . . ?
C22 C21 C26 116.3(3) . . ?
C16 C11 Si1 117.6(2) . . ?
C12 C11 Si1 124.7(2) . . ?
C12 C11 C16 117.7(3) . . ?
C52 C51 Si5 121.4(2) . . ?
C52 C51 C56 117.8(3) . . ?
C56 C51 Si5 119.0(2) . . ?
C86 C81 Si8 124.2(2) . . ?
C86 C81 C82 117.3(2) . . ?
C82 C81 Si8 118.5(2) . . ?
C96 C91 Si9 119.63(19) . . ?
C96 C91 C92 116.9(2) . . ?
C92 C91 Si9 123.45(19) . . ?
C46 C41 Si4 123.9(2) . . ?
C42 C41 Si4 118.9(2) . . ?
C42 C41 C46 117.1(2) . . ?
C106 C101 Si10 122.6(2) . . ?
C102 C101 Si10 120.5(2) . . ?
C102 C101 C106 116.8(3) . . ?
C66 C61 Si6 118.7(2) . . ?
C62 C61 Si6 124.7(3) . . ?
C62 C61 C66 116.5(3) . . ?
O27 C27 N3 125.9(3) . . ?
O27 C27 H27 117.0 . . ?
N3 C27 H27 117.0 . . ?
C36 C31 Si3 123.5(2) . . ?
C36 C31 C32 116.8(3) . . ?
C32 C31 Si3 119.5(2) . . ?
C47 N2 C49 120.2(3) . . ?
C47 N2 C48 122.0(3) . . ?
C48 N2 C49 117.3(3) . . ?
O24 C9 N4 124.5(3) . . ?
O24 C9 H9 117.7 . . ?
N4 C9 H9 117.7 . . ?
C6 O25 Na1 148.7(4) . . ?
C11 C16 H16 119.1 . . ?
C11 C16 C15 121.9(3) . . ?
C15 C16 H16 119.1 . . ?
O22 C37 N1 125.1(3) . . ?
O22 C37 H37 117.5 . . ?
N1 C37 H37 117.5 . . ?
C91 C96 H96 119.0 . . ?
C91 C96 C95 122.0(3) . . ?
C95 C96 H96 119.0 . . ?
C19 N7 C18 121.7(3) . . ?
C19 N7 C17 121.1(4) . . ?
C18 N7 C17 117.1(3) . . ?
C91 C92 H92 119.4 . . ?
C93 C92 C91 121.1(3) . . ?
C93 C92 H92 119.4 . . ?
C92 C93 H93 119.8 . . ?
C92 C93 C94 120.4(3) . . ?
C94 C93 H93 119.8 . . ?
C81 C86 H86 118.9 . . ?
C81 C86 C85 122.1(3) . . ?
C85 C86 H86 118.9 . . ?
O21 C47 N2 123.9(3) . . ?
O21 C47 H47 118.1 . . ?
N2 C47 H47 118.1 . . ?
O23 C19 N7 124.8(3) . . ?
O23 C19 H19 117.6 . . ?
N7 C19 H19 117.6 . . ?
C41 C46 H46 119.2 . . ?
C45 C46 C41 121.6(3) . . ?
C45 C46 H46 119.2 . . ?
C96 C95 H95 120.4 . . ?
C94 C95 C96 119.1(3) . . ?
C94 C95 H95 120.4 . . ?
C93 C94 H94 119.9 . . ?
C95 C94 C93 120.3(3) . . ?
C95 C94 H94 119.9 . . ?
C41 C42 H42 119.4 . . ?
C43 C42 C41 121.2(3) . . ?
C43 C42 H42 119.4 . . ?
C71 C76 H76 119.3 . . ?
C71 C76 C75 121.4(3) . . ?
C75 C76 H76 119.3 . . ?
N6 C1 H1A 109.5 . . ?
N6 C1 H1B 109.5 . . ?
N6 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C101 C106 H106 119.6 . . ?
C101 C106 C105 120.8(3) . . ?
C105 C106 H106 119.6 . . ?
C46 C45 H45 120.0 . . ?
C44 C45 C46 120.0(3) . . ?
C44 C45 H45 120.0 . . ?
C86 C85 H85 120.1 . . ?
C84 C85 C86 119.7(3) . . ?
C84 C85 H85 120.1 . . ?
C101 C102 H102 118.8 . . ?
C101 C102 C103 122.3(3) . . ?
C103 C102 H102 118.8 . . ?
C11 C12 H12 119.5 . . ?
C11 C12 C13 120.9(4) . . ?
C13 C12 H12 119.5 . . ?
C42 C43 H43 119.8 . . ?
C44 C43 C42 120.4(3) . . ?
C44 C43 H43 119.8 . . ?
C76 C75 H75 119.6 . . ?
C74 C75 C76 120.9(3) . . ?
C74 C75 H75 119.6 . . ?
C75 C74 H74 120.3 . . ?
C75 C74 C73 119.5(3) . . ?
C73 C74 H74 120.3 . . ?
C61 C66 H66 119.4 . . ?
C61 C66 C65 121.3(4) . . ?
C65 C66 H66 119.4 . . ?
C31 C36 H36 119.4 . . ?
C31 C36 C35 121.2(3) . . ?
C35 C36 H36 119.4 . . ?
N6 C2 H2A 109.5 . . ?
N6 C2 H2B 109.5 . . ?
N6 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N4 C7 H7A 109.5 . . ?
N4 C7 H7B 109.5 . . ?
N4 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N5 C6 H6 117.3 . . ?
O25 C6 N5 125.3(5) . . ?
O25 C6 H6 117.3 . . ?
C45 C44 C43 119.7(3) . . ?
C45 C44 H44 120.2 . . ?
C43 C44 H44 120.2 . . ?
C66 C65 H65 119.7 . . ?
C64 C65 C66 120.7(4) . . ?
C64 C65 H65 119.7 . . ?
N6 C3 H3 117.0 . . ?
O26 C3 N6 125.9(4) . . ?
O26 C3 H3 117.0 . . ?
C16 C15 H15 120.9 . . ?
C14 C15 C16 118.3(4) . . ?
C14 C15 H15 120.9 . . ?
C61 C62 H62 119.6 . . ?
C61 C62 C63 120.9(4) . . ?
C63 C62 H62 119.6 . . ?
C21 C26 H26 119.1 . . ?
C21 C26 C25 121.9(4) . . ?
C25 C26 H26 119.1 . . ?
C81 C82 H82 119.5 . . ?
C83 C82 C81 120.9(3) . . ?
C83 C82 H82 119.5 . . ?
C102 C103 H103 120.3 . . ?
C104 C103 C102 119.4(4) . . ?
C104 C103 H103 120.3 . . ?
C103 C104 H104 119.9 . . ?
C105 C104 C103 120.1(3) . . ?
C105 C104 H104 119.9 . . ?
C71 C72 H72 119.3 . . ?
C71 C72 C73 121.4(4) . . ?
C73 C72 H72 119.3 . . ?
C21 C22 H22 119.3 . . ?
C21 C22 C23 121.4(4) . . ?
C23 C22 H22 119.3 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.0(4) . . ?
C14 C13 H13 120.0 . . ?
C106 C105 H105 119.8 . . ?
C104 C105 C106 120.5(4) . . ?
C104 C105 H105 119.8 . . ?
C85 C84 H84 120.0 . . ?
C85 C84 C83 119.9(3) . . ?
C83 C84 H84 120.0 . . ?
N7 C18 H18A 109.5 . . ?
N7 C18 H18B 109.5 . . ?
N7 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C36 C35 H35 119.5 . . ?
C34 C35 C36 120.9(3) . . ?
C34 C35 H35 119.5 . . ?
N3 C29 H29A 109.5 . . ?
N3 C29 H29B 109.5 . . ?
N3 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C24 H24 120.6 . . ?
C25 C24 C23 118.9(3) . . ?
C23 C24 H24 120.6 . . ?
N4 C8 H8A 109.5 . . ?
N4 C8 H8B 109.5 . . ?
N4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N3 C28 H28A 109.5 . . ?
N3 C28 H28B 109.5 . . ?
N3 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N1 C38 H38A 109.5 . . ?
N1 C38 H38B 109.5 . . ?
N1 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C15 C14 H14 119.4 . . ?
C13 C14 C15 121.2(3) . . ?
C13 C14 H14 119.4 . . ?
C35 C34 H34 120.6 . . ?
C35 C34 C33 118.8(3) . . ?
C33 C34 H34 120.6 . . ?
C26 C25 H25 119.6 . . ?
C24 C25 C26 120.7(4) . . ?
C24 C25 H25 119.6 . . ?
C31 C32 H32 119.1 . . ?
C31 C32 C33 121.8(4) . . ?
C33 C32 H32 119.1 . . ?
C62 C63 H63 119.6 . . ?
C64 C63 C62 120.9(4) . . ?
C64 C63 H63 119.6 . . ?
C55 C54 H54 120.3 . . ?
C53 C54 H54 120.3 . . ?
C53 C54 C55 119.5(4) . . ?
C65 C64 C63 119.7(4) . . ?
C65 C64 H64 120.1 . . ?
C63 C64 H64 120.1 . . ?
C22 C23 H23 119.6 . . ?
C24 C23 C22 120.8(4) . . ?
C24 C23 H23 119.6 . . ?
C51 C52 H52 118.9 . . ?
C51 C52 C53 122.3(4) . . ?
C53 C52 H52 118.9 . . ?
C82 C83 H83 120.0 . . ?
C84 C83 C82 120.0(4) . . ?
C84 C83 H83 120.0 . . ?
C51 C56 H56 119.7 . . ?
C55 C56 C51 120.6(4) . . ?
C55 C56 H56 119.7 . . ?
C74 C73 C72 120.1(4) . . ?
C74 C73 H73 120.0 . . ?
C72 C73 H73 120.0 . . ?
N1 C39 H39A 109.5 . . ?
N1 C39 H39B 109.5 . . ?
N1 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N5 C5 H5A 109.5 . . ?
N5 C5 H5B 109.5 . . ?
N5 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N2 C49 H49A 109.5 . . ?
N2 C49 H49B 109.5 . . ?
N2 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C54 C55 C56 119.6(4) . . ?
C54 C55 H55 120.2 . . ?
C56 C55 H55 120.2 . . ?
C34 C33 C32 120.2(4) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
N5 C4 H4A 109.5 . . ?
N5 C4 H4B 109.5 . . ?
N5 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C54 C53 C52 119.5(4) . . ?
C54 C53 H53 120.2 . . ?
C52 C53 H53 120.2 . . ?
N7 C17 H17A 109.5 . . ?
N7 C17 H17B 109.5 . . ?
N7 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C48 H48A 109.5 . . ?
N2 C48 H48B 109.5 . . ?
N2 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ni4 O24 C9 N4 173.2(2) . . . . ?
Ni1 O21 C47 N2 177.4(3) . . . . ?
Ni3 O23 C19 N7 171.6(3) . . . . ?
Ni5 O27 C27 N3 167.5(2) . . . . ?
Ni2 O22 C37 N1 -162.4(2) . . . . ?
Si7 C71 C76 C75 -173.7(3) . . . . ?
Si7 C71 C72 C73 175.3(4) . . . . ?
Si8 C81 C86 C85 -178.7(2) . . . . ?
Si8 C81 C82 C83 179.5(4) . . . . ?
Si1 C11 C16 C15 -179.5(2) . . . . ?
Si1 C11 C12 C13 179.9(3) . . . . ?
Si4 C41 C46 C45 -177.3(2) . . . . ?
Si4 C41 C42 C43 176.8(3) . . . . ?
Si9 C91 C96 C95 175.1(2) . . . . ?
Si9 C91 C92 C93 -175.7(2) . . . . ?
Si3 C31 C36 C35 -179.7(3) . . . . ?
Si3 C31 C32 C33 179.9(4) . . . . ?
Si5 C51 C52 C53 -172.1(5) . . . . ?
Si5 C51 C56 C55 171.8(4) . . . . ?
Si6 C61 C66 C65 -176.6(3) . . . . ?
Si6 C61 C62 C63 176.9(3) . . . . ?
Si2 C21 C26 C25 172.0(4) . . . . ?
Si2 C21 C22 C23 -173.5(4) . . . . ?
Si10 C101 C106 C105 174.8(3) . . . . ?
Si10 C101 C102 C103 -173.9(3) . . . . ?
Na1 O23 C19 N7 -18.1(10) . . . . ?
Na1 O24 C9 N4 -66.8(4) . . . . ?
Na1 O26 C3 N6 -124.4(5) . . . . ?
Na1 O25 C6 N5 155.2(4) . . . . ?
O14 Si9 O19 Si8 -37.10(17) . . . . ?
O14 Si9 O20 Si10 -4.1(2) . . . . ?
O14 Si9 C91 C96 51.1(2) . . . . ?
O14 Si9 C91 C92 -130.5(2) . . . . ?
O6 Si1 O1 Si5 24.24(18) . . . . ?
O6 Si1 O2 Si2 -4.26(19) . . . . ?
O6 Si1 C11 C16 -50.7(2) . . . . ?
O6 Si1 C11 C12 129.5(3) . . . . ?
O8 Si3 O3 Si2 34.51(17) . . . . ?
O8 Si3 O4 Si4 0.7(2) . . . . ?
O8 Si3 C31 C36 -136.0(3) . . . . ?
O8 Si3 C31 C32 39.1(3) . . . . ?
O15 Si10 O16 Si6 32.01(16) . . . . ?
O15 Si10 O20 Si9 4.3(2) . . . . ?
O15 Si10 C101 C106 120.7(2) . . . . ?
O15 Si10 C101 C102 -63.3(3) . . . . ?
O11 Si6 O17 Si7 16.08(19) . . . . ?
O11 Si6 O16 Si10 -27.80(16) . . . . ?
O11 Si6 C61 C66 60.9(2) . . . . ?
O11 Si6 C61 C62 -117.2(3) . . . . ?
O9 Si4 O5 Si5 -27.40(19) . . . . ?
O9 Si4 O4 Si3 2.0(2) . . . . ?
O9 Si4 C41 C46 -133.6(2) . . . . ?
O9 Si4 C41 C42 50.0(3) . . . . ?
O13 Si8 O19 Si9 34.88(17) . . . . ?
O13 Si8 O18 Si7 -4.41(19) . . . . ?
O13 Si8 C81 C86 164.3(2) . . . . ?
O13 Si8 C81 C82 -16.1(3) . . . . ?
O12 Si7 O18 Si8 5.64(19) . . . . ?
O12 Si7 O17 Si6 -19.16(18) . . . . ?
O12 Si7 C71 C76 80.6(3) . . . . ?
O12 Si7 C71 C72 -96.4(3) . . . . ?
O10 Si5 O1 Si1 -22.31(18) . . . . ?
O10 Si5 O5 Si4 23.31(19) . . . . ?
O10 Si5 C51 C52 103.5(3) . . . . ?
O10 Si5 C51 C56 -61.1(3) . . . . ?
O19 Si8 O13 Ni3 -7.86(15) . . . . ?
O19 Si8 O13 Ni2 -131.06(11) . . . . ?
O19 Si8 O18 Si7 118.11(15) . . . . ?
O19 Si8 C81 C86 43.1(3) . . . . ?
O19 Si8 C81 C82 -137.3(2) . . . . ?
O19 Si9 O14 Ni4 124.89(11) . . . . ?
O19 Si9 O14 Ni3 11.75(15) . . . . ?
O19 Si9 O14 Na1 -114.77(11) . . . . ?
O19 Si9 O20 Si10 -127.89(17) . . . . ?
O19 Si9 C91 C96 174.6(2) . . . . ?
O19 Si9 C91 C92 -7.0(2) . . . . ?
O18 Si7 O12 Ni1 -119.87(12) . . . . ?
O18 Si7 O12 Ni2 7.42(15) . . . . ?
O18 Si7 O17 Si6 104.04(16) . . . . ?
O18 Si7 C71 C76 -42.1(3) . . . . ?
O18 Si7 C71 C72 140.9(3) . . . . ?
O18 Si8 O13 Ni3 113.22(12) . . . . ?
O18 Si8 O13 Ni2 -9.98(14) . . . . ?
O18 Si8 O19 Si9 -88.55(15) . . . . ?
O18 Si8 C81 C86 -73.5(2) . . . . ?
O18 Si8 C81 C82 106.0(3) . . . . ?
O3 Si3 O8 Ni3 -127.28(11) . . . . ?
O3 Si3 O8 Ni2 -5.64(15) . . . . ?
O3 Si3 O4 Si4 123.78(17) . . . . ?
O3 Si3 C31 C36 101.9(3) . . . . ?
O3 Si3 C31 C32 -83.0(3) . . . . ?
O3 Si2 O7 Ni1 129.04(12) . . . . ?
O3 Si2 O7 Ni2 0.87(15) . . . . ?
O3 Si2 O2 Si1 -119.79(15) . . . . ?
O3 Si2 C21 C26 16.3(3) . . . . ?
O3 Si2 C21 C22 -173.4(3) . . . . ?
O17 Si7 O12 Ni1 1.34(15) . . . . ?
O17 Si7 O12 Ni2 128.63(11) . . . . ?
O17 Si7 O18 Si8 -117.31(15) . . . . ?
O17 Si7 C71 C76 -158.3(2) . . . . ?
O17 Si7 C71 C72 24.7(3) . . . . ?
O17 Si6 O11 Ni1 5.36(15) . . . . ?
O17 Si6 O11 Ni5 -123.87(12) . . . . ?
O17 Si6 O16 Si10 95.39(14) . . . . ?
O17 Si6 C61 C66 -60.7(2) . . . . ?
O17 Si6 C61 C62 121.2(3) . . . . ?
O16 Si6 O11 Ni1 126.71(12) . . . . ?
O16 Si6 O11 Ni5 -2.52(15) . . . . ?
O16 Si6 O17 Si7 -107.01(16) . . . . ?
O16 Si6 C61 C66 -176.3(2) . . . . ?
O16 Si6 C61 C62 5.6(3) . . . . ?
O16 Si10 O15 Ni4 -126.55(11) . . . . ?
O16 Si10 O15 Ni5 -6.51(15) . . . . ?
O16 Si10 O20 Si9 128.24(17) . . . . ?
O16 Si10 C101 C106 -1.7(3) . . . . ?
O16 Si10 C101 C102 174.2(2) . . . . ?
O7 Si2 O3 Si3 -32.23(17) . . . . ?
O7 Si2 O2 Si1 3.58(19) . . . . ?
O7 Si2 C21 C26 -105.0(3) . . . . ?
O7 Si2 C21 C22 65.3(3) . . . . ?
O1 Si1 O6 Ni1 -127.20(12) . . . . ?
O1 Si1 O6 Ni5 -0.47(15) . . . . ?
O1 Si1 O2 Si2 118.73(15) . . . . ?
O1 Si1 C11 C16 -173.0(2) . . . . ?
O1 Si1 C11 C12 7.2(3) . . . . ?
O1 Si5 O10 Ni4 120.38(12) . . . . ?
O1 Si5 O10 Ni5 -3.65(15) . . . . ?
O1 Si5 O5 Si4 -100.81(16) . . . . ?
O1 Si5 C51 C52 -133.9(3) . . . . ?
O1 Si5 C51 C56 61.5(3) . . . . ?
O5 Si4 O9 Ni4 10.41(14) . . . . ?
O5 Si4 O9 Ni3 122.41(11) . . . . ?
O5 Si4 O9 Na1 -110.79(12) . . . . ?
O5 Si4 O4 Si3 -122.11(17) . . . . ?
O5 Si4 C41 C46 -9.4(2) . . . . ?
O5 Si4 C41 C42 174.2(2) . . . . ?
O5 Si5 O10 Ni4 -2.01(16) . . . . ?
O5 Si5 O10 Ni5 -126.04(12) . . . . ?
O5 Si5 O1 Si1 101.31(15) . . . . ?
O5 Si5 C51 C52 -17.2(4) . . . . ?
O5 Si5 C51 C56 178.2(3) . . . . ?
O2 Si1 O6 Ni1 -5.95(15) . . . . ?
O2 Si1 O6 Ni5 120.78(12) . . . . ?
O2 Si1 O1 Si5 -99.32(15) . . . . ?
O2 Si1 C11 C16 71.2(2) . . . . ?
O2 Si1 C11 C12 -108.5(3) . . . . ?
O2 Si2 O3 Si3 90.53(15) . . . . ?
O2 Si2 O7 Ni1 7.49(15) . . . . ?
O2 Si2 O7 Ni2 -120.68(12) . . . . ?
O2 Si2 C21 C26 133.7(3) . . . . ?
O2 Si2 C21 C22 -56.0(3) . . . . ?
O4 Si4 O9 Ni4 -110.93(12) . . . . ?
O4 Si4 O9 Ni3 1.07(15) . . . . ?
O4 Si4 O9 Na1 127.87(11) . . . . ?
O4 Si4 O5 Si5 96.39(16) . . . . ?
O4 Si4 C41 C46 104.8(2) . . . . ?
O4 Si4 C41 C42 -71.6(2) . . . . ?
O4 Si3 O8 Ni3 -6.66(15) . . . . ?
O4 Si3 O8 Ni2 114.98(12) . . . . ?
O4 Si3 O3 Si2 -88.60(15) . . . . ?
O4 Si3 C31 C36 -14.2(3) . . . . ?
O4 Si3 C31 C32 160.9(3) . . . . ?
O20 Si9 O14 Ni4 4.06(14) . . . . ?
O20 Si9 O14 Ni3 -109.09(12) . . . . ?
O20 Si9 O14 Na1 124.40(11) . . . . ?
O20 Si9 O19 Si8 85.70(15) . . . . ?
O20 Si9 C91 C96 -69.9(2) . . . . ?
O20 Si9 C91 C92 108.5(2) . . . . ?
O20 Si10 O15 Ni4 -4.76(15) . . . . ?
O20 Si10 O15 Ni5 115.28(12) . . . . ?
O20 Si10 O16 Si6 -90.93(14) . . . . ?
O20 Si10 C101 C106 -117.2(2) . . . . ?
O20 Si10 C101 C102 58.7(2) . . . . ?
C71 Si7 O12 Ni1 119.47(13) . . . . ?
C71 Si7 O12 Ni2 -113.24(13) . . . . ?
C71 Si7 O18 Si8 127.69(16) . . . . ?
C71 Si7 O17 Si6 -139.78(15) . . . . ?
C71 C76 C75 C74 -1.5(6) . . . . ?
C71 C72 C73 C74 -1.6(8) . . . . ?
C21 Si2 O3 Si3 -151.79(14) . . . . ?
C21 Si2 O7 Ni1 -112.72(14) . . . . ?
C21 Si2 O7 Ni2 119.11(14) . . . . ?
C21 Si2 O2 Si1 123.87(16) . . . . ?
C21 C26 C25 C24 0.5(9) . . . . ?
C21 C22 C23 C24 2.1(8) . . . . ?
C11 Si1 O6 Ni1 112.28(14) . . . . ?
C11 Si1 O6 Ni5 -120.99(14) . . . . ?
C11 Si1 O1 Si5 146.45(15) . . . . ?
C11 Si1 O2 Si2 -125.52(17) . . . . ?
C11 C16 C15 C14 -0.6(5) . . . . ?
C11 C12 C13 C14 -0.2(6) . . . . ?
C51 Si5 O10 Ni4 -119.70(14) . . . . ?
C51 Si5 O10 Ni5 116.27(13) . . . . ?
C51 Si5 O1 Si1 -143.91(16) . . . . ?
C51 Si5 O5 Si4 143.54(16) . . . . ?
C51 C52 C53 C54 0.5(9) . . . . ?
C51 C56 C55 C54 0.8(8) . . . . ?
C81 Si8 O13 Ni3 -127.79(13) . . . . ?
C81 Si8 O13 Ni2 109.01(13) . . . . ?
C81 Si8 O19 Si9 155.51(15) . . . . ?
C81 Si8 O18 Si7 -124.97(16) . . . . ?
C81 C86 C85 C84 -1.2(5) . . . . ?
C81 C82 C83 C84 -0.5(7) . . . . ?
C91 Si9 O14 Ni4 -114.64(12) . . . . ?
C91 Si9 O14 Ni3 132.21(12) . . . . ?
C91 Si9 O14 Na1 5.70(15) . . . . ?
C91 Si9 O19 Si8 -159.06(14) . . . . ?
C91 Si9 O20 Si10 116.52(18) . . . . ?
C91 C96 C95 C94 1.5(5) . . . . ?
C91 C92 C93 C94 -0.2(4) . . . . ?
C41 Si4 O9 Ni4 131.83(12) . . . . ?
C41 Si4 O9 Ni3 -116.18(12) . . . . ?
C41 Si4 O9 Na1 10.63(15) . . . . ?
C41 Si4 O5 Si5 -151.53(15) . . . . ?
C41 Si4 O4 Si3 123.79(18) . . . . ?
C41 C46 C45 C44 0.6(5) . . . . ?
C41 C42 C43 C44 0.8(6) . . . . ?
C101 Si10 O15 Ni4 115.31(14) . . . . ?
C101 Si10 O15 Ni5 -124.66(13) . . . . ?
C101 Si10 O16 Si6 154.64(14) . . . . ?
C101 Si10 O20 Si9 -118.88(18) . . . . ?
C101 C106 C105 C104 -1.1(6) . . . . ?
C101 C102 C103 C104 -1.0(6) . . . . ?
C61 Si6 O11 Ni1 -112.56(14) . . . . ?
C61 Si6 O11 Ni5 118.21(14) . . . . ?
C61 Si6 O17 Si7 137.73(16) . . . . ?
C61 Si6 O16 Si10 -150.87(14) . . . . ?
C61 C66 C65 C64 0.1(6) . . . . ?
C61 C62 C63 C64 -1.0(7) . . . . ?
C31 Si3 O8 Ni3 112.63(13) . . . . ?
C31 Si3 O8 Ni2 -125.73(13) . . . . ?
C31 Si3 O3 Si2 155.05(14) . . . . ?
C31 Si3 O4 Si4 -119.43(18) . . . . ?
C31 C36 C35 C34 -1.4(7) . . . . ?
C31 C32 C33 C34 0.5(9) . . . . ?
C16 C11 C12 C13 0.1(5) . . . . ?
C16 C15 C14 C13 0.6(6) . . . . ?
C96 C91 C92 C93 2.8(4) . . . . ?
C96 C95 C94 C93 1.2(5) . . . . ?
C92 C91 C96 C95 -3.5(4) . . . . ?
C92 C93 C94 C95 -1.8(5) . . . . ?
C86 C81 C82 C83 -0.9(6) . . . . ?
C86 C85 C84 C83 -0.3(6) . . . . ?
C46 C41 C42 C43 0.2(5) . . . . ?
C46 C45 C44 C43 0.4(5) . . . . ?
C42 C41 C46 C45 -0.9(4) . . . . ?
C42 C43 C44 C45 -1.1(6) . . . . ?
C76 C71 C72 C73 -1.9(6) . . . . ?
C76 C75 C74 C73 -2.2(6) . . . . ?
C1 N6 C3 O26 -178.3(3) . . . . ?
C106 C101 C102 C103 2.3(5) . . . . ?
C85 C84 C83 C82 1.2(8) . . . . ?
C102 C101 C106 C105 -1.3(5) . . . . ?
C102 C103 C104 C105 -1.5(6) . . . . ?
C12 C11 C16 C15 0.3(4) . . . . ?
C12 C13 C14 C15 -0.2(7) . . . . ?
C75 C74 C73 C72 3.7(7) . . . . ?
C66 C61 C62 C63 -1.3(5) . . . . ?
C66 C65 C64 C63 -2.4(7) . . . . ?
C36 C31 C32 C33 -4.7(7) . . . . ?
C36 C35 C34 C33 -2.9(8) . . . . ?
C2 N6 C3 O26 2.5(5) . . . . ?
C7 N4 C9 O24 -2.0(5) . . . . ?
C62 C61 C66 C65 1.7(5) . . . . ?
C62 C63 C64 C65 2.8(7) . . . . ?
C26 C21 C22 C23 -2.6(6) . . . . ?
C82 C81 C86 C85 1.7(5) . . . . ?
C103 C104 C105 C106 2.5(7) . . . . ?
C72 C71 C76 C75 3.4(5) . . . . ?
C22 C21 C26 C25 1.3(7) . . . . ?
C18 N7 C19 O23 -0.5(6) . . . . ?
C35 C34 C33 C32 3.4(9) . . . . ?
C29 N3 C27 O27 2.1(5) . . . . ?
C8 N4 C9 O24 178.6(3) . . . . ?
C28 N3 C27 O27 179.5(4) . . . . ?
C38 N1 C37 O22 3.5(5) . . . . ?
C25 C24 C23 C22 -0.1(8) . . . . ?
C32 C31 C36 C35 5.1(6) . . . . ?
C23 C24 C25 C26 -1.2(9) . . . . ?
C52 C51 C56 C55 6.6(6) . . . . ?
C56 C51 C52 C53 -7.3(7) . . . . ?
C39 N1 C37 O22 -179.9(4) . . . . ?
C5 N5 C6 O25 0.9(6) . . . . ?
C49 N2 C47 O21 -174.0(4) . . . . ?
C55 C54 C53 C52 7.2(10) . . . . ?
C4 N5 C6 O25 -179.2(4) . . . . ?
C53 C54 C55 C56 -7.7(9) . . . . ?
C17 N7 C19 O23 -177.7(5) . . . . ?
C48 N2 C47 O21 -2.8(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_platon_squeeze_details          
;
;
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 0.925 0.011 0.103 17 0 ' '
2 0.075 -0.011 0.897 17 0 ' '
3 0.632 0.213 0.083 215 42 ' '
4 0.599 0.045 0.358 11 0 ' '
5 0.632 0.287 0.583 215 42 ' '
6 0.746 0.113 0.430 25 1 ' '
7 0.746 0.387 0.930 25 1 ' '
8 0.599 0.455 0.858 11 0 ' '
9 0.925 0.489 0.603 17 0 ' '
10 0.075 0.511 0.397 17 0 ' '
11 0.401 0.545 0.142 11 0 ' '
12 0.368 0.713 0.417 215 42 ' '
13 0.368 0.787 0.917 215 42 ' '
14 0.254 0.613 0.070 25 1 ' '
15 0.254 0.887 0.570 25 1 ' '
16 0.401 0.955 0.642 11 0 ' '
####################################################################### 
# 
# 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_ses50
_database_code_depnum_ccdc_archive 'CCDC 1446354'
_audit_update_record             
;
2016-01-10 deposited with the CCDC.
2016-03-10 downloaded from the CCDC.
;
_audit_creation_date             2014-01-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         
'C51 H51 Cl0.5 N Ni3 O16 Si6, C8 H14.5 Na0.5 O5, 2.5(C4 H8 O2)'
_chemical_formula_sum            'C69 H85.50 Cl0.50 N Na0.50 Ni3 O26 Si6'
_chemical_formula_weight         1718.77
_chemical_melting_point          ?
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'
N N 0.0061 0.0033 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.1899(12)
_cell_length_b                   18.2778(14)
_cell_length_c                   27.093(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.513(2)
_cell_angle_gamma                90.00
_cell_volume                     7855.9(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5486
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.657
_cell_measurement_theta_min      2.401
_exptl_absorpt_coefficient_mu    0.900
_exptl_absorpt_correction_T_max  0.4326
_exptl_absorpt_correction_T_min  0.3483
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0861 before and 0.0689 after correction.
The Ratio of minimum to maximum transmission is 0.8051.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             3586
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.1795
_diffrn_reflns_av_unetI/netI     0.1707
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            100379
_diffrn_reflns_theta_full        30.18
_diffrn_reflns_theta_max         30.18
_diffrn_reflns_theta_min         1.36
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_number_gt                11161
_reflns_number_total             23101
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XLMP (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_refine_diff_density_max         2.538
_refine_diff_density_min         -2.556
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     924
_refine_ls_number_reflns         23101
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1890
_refine_ls_R_factor_gt           0.0831
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0793P)²+2.4130P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1667
_refine_ls_wR_factor_ref         0.2105
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Others
 Fixed Sof: C58(0.5) H58(0.5) C57(0.5) H57(0.5) C60(0.5) H60(0.5) C59(0.5)
 H59(0.5) C70(0.5) H70A(0.5) H70B(0.5) C69(0.5) H69(0.5) C67(0.5) H67(0.5)
 C68(0.5) H68(0.5) O22(0.5) O24(0.5) C77(0.5) H77A(0.5) H77B(0.5) C78(0.5)
 H78A(0.5) H78B(0.5) C88(0.5) H88A(0.5) H88B(0.5) C87(0.5) H87A(0.5) H87B(0.5)
 O25(0.5) O23(0.5) C80(0.5) H80A(0.5) H80B(0.5) C79(0.5) H79A(0.5) H79B(0.5)
 C89(0.5) H89A(0.5) H89B(0.5) C90(0.5) H90A(0.5) H90B(0.5)
 Fixed Uiso: C90(0.12)
3.a Free rotating group:
 O22(O24,C77,C78,C88,C87), O25(O23,C80,C79,C89,C90)
3.b Rotating group:
 O28(H28C,H28D)
3.c Secondary CH2 refined with riding coordinates:
 C27(H27A,H27B), C17(H17A,H17B), C20(H20A,H20B), C18(H18A,H18B), C30(H30A,
 H30B), C28(H28A,H28B), C29(H29A,H29B), C19(H19A,H19B), C37(H37A,H37B),
 C39(H39A,H39B), C50(H50A,H50B), C49(H49A,H49B), C40(H40A,H40B), C38(H38A,H38B),
  C48(H48A,H48B), C47(H47A,H47B), C8(H8A,H8B), C9(H9A,H9B), C70(H70A,H70B),
 C77(H77A,H77B), C78(H78A,H78B), C88(H88A,H88B), C87(H87A,H87B), C80(H80A,H80B),
  C79(H79A,H79B), C89(H89A,H89B), C90(H90A,H90B)
3.d Aromatic/amide H refined with riding coordinates:
 C52(H52), C42(H42), C66(H66), C62(H62), C3(H3), C25(H25), C36(H36), C46(H46),
 C4(H4), C5(H5), C56(H56), C6(H6), C54(H54), C64(H64), C16(H16), C53(H53),
 C7(H7), C23(H23), C43(H43), C55(H55), C45(H45), C26(H26), C44(H44), C32(H32),
 C12(H12), C14(H14), C65(H65), C13(H13), C63(H63), C22(H22), C24(H24), C35(H35),
  C33(H33), C15(H15), C34(H34), C58(H58), C57(H57), C60(H60), C59(H59),
 C69(H69), C67(H67), C68(H68)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Ni2 Ni 0.02218(4) 0.12336(3) 0.05749(3) 0.01818(16) Uani 1 1 d . . . .
Ni3 Ni -0.03427(4) 0.14492(3) -0.04737(2) 0.01698(15) Uani 1 1 d . . . .
Ni1 Ni 0.05590(4) -0.01532(3) 0.10520(3) 0.01924(16) Uani 1 1 d . . . .
Cl0A Cl 0.0000 0.0000 0.0000 0.1198(17) Uani 1 2 d . . S T
Si2 Si -0.22092(9) -0.07992(7) -0.08912(6) 0.0184(3) Uani 1 1 d . . . .
Si6 Si -0.11716(9) -0.10445(7) 0.10898(6) 0.0176(3) Uani 1 1 d . . . .
Si1 Si -0.16828(9) -0.17137(8) 0.00533(6) 0.0188(3) Uani 1 1 d . . . .
Si4 Si -0.18048(9) 0.15216(7) 0.02248(5) 0.0172(3) Uani 1 1 d . . . .
Si5 Si -0.12347(9) 0.06060(7) 0.11621(6) 0.0176(3) Uani 1 1 d . . . .
Si3 Si -0.23047(9) 0.08493(7) -0.08174(5) 0.0172(3) Uani 1 1 d . . . .
O3 O -0.1528(2) -0.02403(18) 0.12074(13) 0.0209(8) Uani 1 1 d . . . .
O1 O -0.2312(2) -0.12598(18) -0.03917(13) 0.0209(8) Uani 1 1 d . . . .
O6 O -0.2636(2) 0.00061(17) -0.08687(14) 0.0204(8) Uani 1 1 d . . . .
O2 O -0.1798(2) -0.13764(18) 0.05906(13) 0.0206(8) Uani 1 1 d . . . .
O4 O -0.1878(2) 0.10008(18) 0.07013(13) 0.0191(8) Uani 1 1 d . . . .
Na1 Na -0.5000 0.0000 0.0000 0.0472(10) Uani 1 2 d . . S T
O8 O -0.1350(2) 0.09198(17) -0.08769(13) 0.0188(8) Uani 1 1 d . . . .
O12 O 0.0730(2) 0.16764(18) 0.00202(13) 0.0199(8) Uani 1 1 d . . . .
O5 O -0.2418(2) 0.11591(19) -0.02705(13) 0.0207(8) Uani 1 1 d . . . .
O7 O -0.1251(2) -0.07138(18) -0.09405(13) 0.0192(8) Uani 1 1 d . . . .
O13 O 0.1010(2) -0.03003(18) 0.18309(13) 0.0209(8) Uani 1 1 d . . . .
O14 O 0.1366(3) -0.0646(2) 0.28725(14) 0.0329(10) Uani 1 1 d . . . .
O15 O 0.0514(2) 0.21610(18) 0.10108(13) 0.0222(8) Uani 1 1 d . . . .
O16 O 0.0841(2) 0.34190(19) 0.16295(14) 0.0285(9) Uani 1 1 d . . . .
O11 O 0.0227(2) 0.10089(17) -0.10067(13) 0.0177(7) Uani 1 1 d . . . .
O18 O -0.1002(3) 0.0163(3) 0.3870(2) 0.0561(14) Uani 1 1 d . . . .
O17 O 0.0760(3) 0.0017(3) 0.39751(19) 0.0541(13) Uani 1 1 d . . . .
O21 O -0.2025(3) 0.4054(2) 0.18290(17) 0.0414(11) Uani 1 1 d . . . .
O20 O -0.1134(3) 0.5281(2) 0.15633(17) 0.0433(11) Uani 1 1 d . . . .
N1 N -0.0637(3) 0.2448(2) -0.07911(17) 0.0218(10) Uani 1 1 d . . . .
O9 O -0.0865(2) 0.16126(18) 0.01455(13) 0.0196(8) Uani 1 1 d . . . .
O10 O -0.0291(2) 0.06483(18) 0.10741(13) 0.0198(8) Uani 1 1 d . . . .
C31 C -0.3056(3) 0.1378(3) -0.1303(2) 0.0244(12) Uani 1 1 d . . . .
C11 C -0.2111(3) -0.2660(3) 0.0036(2) 0.0229(12) Uani 1 1 d . . . .
C61 C -0.1254(3) -0.1631(3) 0.1639(2) 0.0213(11) Uani 1 1 d . . . .
C41 C -0.2306(3) 0.2408(3) 0.0338(2) 0.0221(12) Uani 1 1 d . . . .
C21 C -0.2819(3) -0.1284(3) -0.1454(2) 0.0237(12) Uani 1 1 d . . . .
C51 C -0.1367(3) 0.1084(3) 0.1749(2) 0.0213(11) Uani 1 1 d . . . .
C27 C 0.0753(3) 0.2106(3) 0.1550(2) 0.0231(12) Uani 1 1 d . . . .
H27A H 0.1068 0.1645 0.1642 0.028 Uiso 1 1 calc . . R .
H27B H 0.0243 0.2097 0.1699 0.028 Uiso 1 1 calc . . R .
C2 C -0.1188(4) 0.3689(3) -0.1191(2) 0.0250(12) Uani 1 1 d . . . .
C17 C 0.0575(4) 0.0063(3) 0.2174(2) 0.0307(13) Uani 1 1 d . . . .
H17A H 0.0042 -0.0197 0.2183 0.037 Uiso 1 1 calc . . R .
H17B H 0.0436 0.0570 0.2057 0.037 Uiso 1 1 calc . . R .
C52 C -0.1417(3) 0.1846(3) 0.1761(2) 0.0254(12) Uani 1 1 d . . . .
H52 H -0.1395 0.2115 0.1464 0.031 Uiso 1 1 calc . . R .
C1 C -0.0874(3) 0.2988(3) -0.0971(2) 0.0236(12) Uani 1 1 d . . . .
C42 C -0.2167(4) 0.3050(3) 0.0088(2) 0.0254(12) Uani 1 1 d . . . .
H42 H -0.1764 0.3050 -0.0122 0.031 Uiso 1 1 calc . . R .
O28 O -0.6451(3) 0.0003(3) -0.00068(19) 0.0575(15) Uani 1 1 d B . . .
H28C H -0.6717 -0.0280 -0.0253 0.086 Uiso 1 1 d . . GR .
H28D H -0.6653 0.0453 -0.0055 0.086 Uiso 1 1 d . . GR .
C20 C 0.1219(4) -0.1042(3) 0.2006(2) 0.0271(13) Uani 1 1 d . . . .
H20A H 0.1512 -0.1298 0.1768 0.033 Uiso 1 1 calc . . R .
H20B H 0.0697 -0.1315 0.2022 0.033 Uiso 1 1 calc . . R .
C66 C -0.1726(4) -0.1411(3) 0.2002(2) 0.0316(14) Uani 1 1 d . . . .
H66 H -0.2037 -0.0968 0.1953 0.038 Uiso 1 1 calc . . R .
C62 C -0.0814(4) -0.2287(3) 0.1729(2) 0.0279(13) Uani 1 1 d . . . .
H62 H -0.0483 -0.2446 0.1497 0.034 Uiso 1 1 calc . . R .
C3 C -0.1980(4) 0.3927(3) -0.1147(2) 0.0295(13) Uani 1 1 d . . . .
H3 H -0.2330 0.3625 -0.0990 0.035 Uiso 1 1 calc . . R .
C18 C 0.1118(4) 0.0076(3) 0.2691(2) 0.0351(15) Uani 1 1 d . . . .
H18A H 0.1629 0.0371 0.2685 0.042 Uiso 1 1 calc . . R .
H18B H 0.0806 0.0315 0.2926 0.042 Uiso 1 1 calc . . R .
O26 O -0.4602(3) 0.0276(3) 0.08894(18) 0.0558(14) Uani 1 1 d A . . .
C25 C -0.3093(4) -0.1433(3) -0.2372(2) 0.0363(15) Uani 1 1 d . . . .
H25 H -0.2984 -0.1291 -0.2690 0.044 Uiso 1 1 calc . . R .
C36 C -0.3183(4) 0.2125(3) -0.1248(2) 0.0384(16) Uani 1 1 d . . . .
H36 H -0.2861 0.2373 -0.0965 0.046 Uiso 1 1 calc . . R .
C46 C -0.2874(3) 0.2452(3) 0.0664(2) 0.0307(14) Uani 1 1 d . . . .
H46 H -0.2971 0.2028 0.0848 0.037 Uiso 1 1 calc . . R .
C30 C 0.0072(3) 0.2837(3) 0.0870(2) 0.0243(12) Uani 1 1 d . . . .
H30A H -0.0466 0.2836 0.0990 0.029 Uiso 1 1 calc . . R .
H30B H -0.0059 0.2881 0.0498 0.029 Uiso 1 1 calc . . R .
C4 C -0.2262(4) 0.4608(3) -0.1332(2) 0.0317(14) Uani 1 1 d . . . .
H4 H -0.2803 0.4779 -0.1299 0.038 Uiso 1 1 calc . . R .
C5 C -0.1753(4) 0.5035(3) -0.1563(2) 0.0334(15) Uani 1 1 d . . . .
H5 H -0.1943 0.5504 -0.1687 0.040 Uiso 1 1 calc . . R .
C56 C -0.1411(3) 0.0723(3) 0.2200(2) 0.0239(12) Uani 1 1 d . . . .
H56 H -0.1382 0.0204 0.2211 0.029 Uiso 1 1 calc . . R .
C6 C -0.0971(4) 0.4791(3) -0.1618(2) 0.0327(14) Uani 1 1 d . . . .
H6 H -0.0636 0.5089 -0.1788 0.039 Uiso 1 1 calc . . R .
C54 C -0.1541(4) 0.1851(3) 0.2632(2) 0.0359(15) Uani 1 1 d . . . .
H54 H -0.1600 0.2107 0.2929 0.043 Uiso 1 1 calc . . R .
C64 C -0.1308(4) -0.2486(3) 0.2503(3) 0.0411(16) Uani 1 1 d . . . .
H64 H -0.1325 -0.2775 0.2792 0.049 Uiso 1 1 calc . . R .
C16 C -0.2369(3) -0.3037(3) -0.0415(2) 0.0280(13) Uani 1 1 d . . . .
H16 H -0.2294 -0.2814 -0.0720 0.034 Uiso 1 1 calc . . R .
C53 C -0.1500(4) 0.2228(3) 0.2196(2) 0.0349(15) Uani 1 1 d . . . .
H53 H -0.1528 0.2747 0.2191 0.042 Uiso 1 1 calc . . R .
C7 C -0.0662(4) 0.4116(3) -0.1429(2) 0.0279(13) Uani 1 1 d . . . .
H7 H -0.0118 0.3951 -0.1459 0.033 Uiso 1 1 calc . . R .
C23 C -0.3797(4) -0.2216(3) -0.1872(3) 0.0395(16) Uani 1 1 d . . . .
H23 H -0.4181 -0.2603 -0.1853 0.047 Uiso 1 1 calc . . R .
C28 C 0.1300(4) 0.2751(3) 0.1754(2) 0.0259(12) Uani 1 1 d . . . .
H28A H 0.1474 0.2708 0.2125 0.031 Uiso 1 1 calc . . R .
H28B H 0.1814 0.2756 0.1609 0.031 Uiso 1 1 calc . . R .
C43 C -0.2610(4) 0.3699(3) 0.0141(2) 0.0321(14) Uani 1 1 d . . . .
H43 H -0.2524 0.4124 -0.0044 0.039 Uiso 1 1 calc . . R .
C55 C -0.1496(4) 0.1100(3) 0.2630(2) 0.0320(14) Uani 1 1 d . . . .
H55 H -0.1524 0.0835 0.2928 0.038 Uiso 1 1 calc . . R .
O27 O -0.4172(3) 0.0757(3) 0.19010(18) 0.0626(15) Uani 1 1 d . . . .
C29 C 0.0605(4) 0.3483(3) 0.1095(2) 0.0269(13) Uani 1 1 d . . . .
H29A H 0.1118 0.3509 0.0949 0.032 Uiso 1 1 calc . . R .
H29B H 0.0282 0.3941 0.1008 0.032 Uiso 1 1 calc . . R .
C45 C -0.3301(4) 0.3095(3) 0.0730(3) 0.0400(16) Uani 1 1 d . . . .
H45 H -0.3679 0.3106 0.0956 0.048 Uiso 1 1 calc . . R .
C26 C -0.2696(4) -0.1076(3) -0.1929(2) 0.0290(13) Uani 1 1 d . . . .
H26 H -0.2330 -0.0677 -0.1954 0.035 Uiso 1 1 calc . . R .
C19 C 0.1777(4) -0.1013(3) 0.2517(2) 0.0329(14) Uani 1 1 d . . . .
H19A H 0.1927 -0.1516 0.2636 0.039 Uiso 1 1 calc . . R .
H19B H 0.2304 -0.0751 0.2496 0.039 Uiso 1 1 calc . . R .
C44 C -0.3174(4) 0.3715(3) 0.0466(2) 0.0355(15) Uani 1 1 d . . . .
H44 H -0.3471 0.4152 0.0505 0.043 Uiso 1 1 calc . . R .
C32 C -0.3516(4) 0.1048(3) -0.1731(2) 0.0322(14) Uani 1 1 d . . . .
H32 H -0.3438 0.0542 -0.1788 0.039 Uiso 1 1 calc . . R .
C12 C -0.2215(4) -0.3023(3) 0.0474(2) 0.0336(14) Uani 1 1 d . . . .
H12 H -0.2031 -0.2793 0.0791 0.040 Uiso 1 1 calc . . R .
C14 C -0.2838(4) -0.4062(3) -0.0001(3) 0.0457(18) Uani 1 1 d . . . .
H14 H -0.3085 -0.4534 -0.0013 0.055 Uiso 1 1 calc . . R .
C65 C -0.1742(4) -0.1832(3) 0.2426(2) 0.0419(17) Uani 1 1 d . . . .
H65 H -0.2055 -0.1668 0.2666 0.050 Uiso 1 1 calc . . R .
C13 C -0.2583(4) -0.3713(3) 0.0455(3) 0.0442(18) Uani 1 1 d . . . .
H13 H -0.2659 -0.3944 0.0757 0.053 Uiso 1 1 calc . . R .
C63 C -0.0843(4) -0.2717(3) 0.2148(2) 0.0369(15) Uani 1 1 d . . . .
H63 H -0.0546 -0.3168 0.2193 0.044 Uiso 1 1 calc . . R .
C22 C -0.3377(3) -0.1860(3) -0.1430(2) 0.0289(13) Uani 1 1 d . . . .
H22 H -0.3475 -0.2015 -0.1112 0.035 Uiso 1 1 calc . . R .
C24 C -0.3645(4) -0.1997(3) -0.2332(2) 0.0372(16) Uani 1 1 d . . . .
H24 H -0.3926 -0.2239 -0.2629 0.045 Uiso 1 1 calc . . R .
C37 C -0.1437(4) 0.3985(3) 0.1502(2) 0.0385(16) Uani 1 1 d . . . .
H37A H -0.1617 0.3585 0.1258 0.046 Uiso 1 1 calc . . R .
H37B H -0.0874 0.3859 0.1702 0.046 Uiso 1 1 calc . . R .
C39 C -0.1728(5) 0.5345(3) 0.1888(3) 0.0445(17) Uani 1 1 d . . . .
H39A H -0.2292 0.5463 0.1685 0.053 Uiso 1 1 calc . . R .
H39B H -0.1557 0.5749 0.2130 0.053 Uiso 1 1 calc . . R .
C35 C -0.3764(5) 0.2518(4) -0.1593(3) 0.056(2) Uani 1 1 d . . . .
H35 H -0.3847 0.3025 -0.1541 0.067 Uiso 1 1 calc . . R .
C33 C -0.4093(4) 0.1448(4) -0.2081(2) 0.0425(17) Uani 1 1 d . . . .
H33 H -0.4402 0.1211 -0.2373 0.051 Uiso 1 1 calc . . R .
C50 C -0.0630(5) -0.0347(4) 0.3578(3) 0.0526(19) Uani 1 1 d . . . .
H50A H -0.0571 -0.0114 0.3257 0.063 Uiso 1 1 calc . . R .
H50B H -0.1007 -0.0776 0.3497 0.063 Uiso 1 1 calc . . R .
C15 C -0.2734(4) -0.3729(3) -0.0435(3) 0.0399(16) Uani 1 1 d . . . .
H15 H -0.2910 -0.3968 -0.0750 0.048 Uiso 1 1 calc . . R .
C49 C 0.0212(5) -0.0597(4) 0.3852(3) 0.059(2) Uani 1 1 d . . . .
H49A H 0.0152 -0.0854 0.4164 0.071 Uiso 1 1 calc . . R .
H49B H 0.0455 -0.0943 0.3639 0.071 Uiso 1 1 calc . . R .
C40 C -0.1775(5) 0.4643(4) 0.2171(3) 0.0473(18) Uani 1 1 d . . . .
H40A H -0.1217 0.4535 0.2384 0.057 Uiso 1 1 calc . . R .
H40B H -0.2186 0.4698 0.2394 0.057 Uiso 1 1 calc . . R .
C34 C -0.4218(4) 0.2175(4) -0.2009(3) 0.0486(19) Uani 1 1 d . . . .
H34 H -0.4617 0.2441 -0.2246 0.058 Uiso 1 1 calc . . R .
C38 C -0.1384(4) 0.4695(3) 0.1222(2) 0.0383(16) Uani 1 1 d . . . .
H38A H -0.0972 0.4641 0.0999 0.046 Uiso 1 1 calc . . R .
H38B H -0.1941 0.4806 0.1009 0.046 Uiso 1 1 calc . . R .
C48 C 0.0395(5) 0.0521(5) 0.4267(3) 0.061(2) Uani 1 1 d . . . .
H48A H 0.0771 0.0950 0.4348 0.074 Uiso 1 1 calc . . R .
H48B H 0.0336 0.0287 0.4587 0.074 Uiso 1 1 calc . . R .
C47 C -0.0439(4) 0.0767(4) 0.3995(3) 0.057(2) Uani 1 1 d . . . .
H47A H -0.0678 0.1116 0.4208 0.068 Uiso 1 1 calc . . R .
H47B H -0.0377 0.1024 0.3683 0.068 Uiso 1 1 calc . . R .
O19 O -0.0422(3) 0.4326(2) 0.00274(16) 0.0406(11) Uani 1 1 d . . . .
C8 C -0.0878(4) 0.4991(3) -0.0111(3) 0.0404(16) Uani 1 1 d . . . .
H8A H -0.1423 0.4972 0.0002 0.048 Uiso 1 1 calc . . R .
H8B H -0.0999 0.5043 -0.0482 0.048 Uiso 1 1 calc . . R .
C9 C 0.0377(4) 0.4352(4) -0.0125(2) 0.0411(16) Uani 1 1 d . . . .
H9A H 0.0287 0.4385 -0.0496 0.049 Uiso 1 1 calc . . R .
H9B H 0.0696 0.3898 -0.0018 0.049 Uiso 1 1 calc . . R .
C58 C -0.4967(8) 0.0405(7) 0.1726(5) 0.026(3) Uiso 0.50 1 d A 2 . .
H58 H -0.5425 0.0448 0.1895 0.031 Uiso 0.50 1 calc A 2 R .
C57 C -0.5012(12) 0.0010(11) 0.1304(7) 0.082(6) Uiso 0.50 1 d A 2 . .
H57 H -0.5307 -0.0443 0.1268 0.099 Uiso 0.50 1 calc A 2 R .
C60 C -0.3716(12) 0.0299(10) 0.1157(7) 0.067(5) Uiso 0.50 1 d A 2 . .
H60 H -0.3271 0.0178 0.0990 0.080 Uiso 0.50 1 calc A 2 R .
C59 C -0.3564(12) 0.0481(10) 0.1613(7) 0.069(5) Uiso 0.50 1 d A 2 . .
H59 H -0.2996 0.0435 0.1789 0.083 Uiso 0.50 1 calc A 2 R .
C70 C -0.3871(11) 0.0729(10) 0.1078(6) 0.064(5) Uiso 0.50 1 d A 1 . .
H70A H -0.3370 0.0452 0.1026 0.077 Uiso 0.50 1 calc A 1 R .
H70B H -0.3914 0.1166 0.0859 0.077 Uiso 0.50 1 calc A 1 R .
C69 C -0.3701(10) 0.0977(8) 0.1574(6) 0.049(4) Uiso 0.50 1 d A 1 . .
H69 H -0.3246 0.1306 0.1681 0.059 Uiso 0.50 1 calc A 1 R .
C67 C -0.5265(8) 0.0536(7) 0.1145(5) 0.034(3) Uiso 0.50 1 d A 1 . .
H67 H -0.5831 0.0616 0.0976 0.041 Uiso 0.50 1 calc A 1 R .
C68 C -0.5002(13) 0.0646(11) 0.1632(8) 0.070(6) Uiso 0.50 1 d A 1 . .
H68 H -0.5428 0.0651 0.1827 0.083 Uiso 0.50 1 calc A 1 R .
O22 O -0.5069(7) 0.1265(4) -0.0155(4) 0.082(5) Uiso 0.50 1 d B -2 . .
O24 O -0.5316(7) 0.2775(4) -0.0349(4) 0.100(5) Uiso 0.50 1 d B -2 G .
C77 C -0.4838(7) 0.1604(6) -0.0591(4) 0.071(5) Uiso 0.50 1 d B -2 G .
H77A H -0.5313 0.1565 -0.0883 0.086 Uiso 0.50 1 calc B -2 R .
H77B H -0.4348 0.1344 -0.0676 0.086 Uiso 0.50 1 calc B -2 R .
C78 C -0.4618(6) 0.2396(6) -0.0489(4) 0.107(8) Uiso 0.50 1 d B -2 G .
H78A H -0.4116 0.2435 -0.0213 0.128 Uiso 0.50 1 calc B -2 R .
H78B H -0.4480 0.2624 -0.0794 0.128 Uiso 0.50 1 calc B -2 R .
C88 C -0.5543(7) 0.2441(5) 0.0084(4) 0.078(5) Uiso 0.50 1 d B -2 G .
H88A H -0.6028 0.2703 0.0172 0.094 Uiso 0.50 1 calc B -2 R .
H88B H -0.5064 0.2474 0.0374 0.094 Uiso 0.50 1 calc B -2 R .
C87 C -0.5771(7) 0.1648(6) -0.0025(5) 0.092(6) Uiso 0.50 1 d B -2 G .
H87A H -0.5924 0.1419 0.0276 0.110 Uiso 0.50 1 calc B -2 R .
H87B H -0.6264 0.1615 -0.0306 0.110 Uiso 0.50 1 calc B -2 R .
O25 O -0.5348(8) 0.2611(5) -0.0744(4) 0.101(5) Uiso 0.50 1 d B -3 . .
O23 O -0.5367(8) 0.1233(4) -0.0225(4) 0.064(4) Uiso 0.50 1 d B -3 G .
C80 C -0.5784(8) 0.1939(7) -0.0985(3) 0.109(8) Uiso 0.50 1 d B -3 G .
H80A H -0.5393 0.1663 -0.1154 0.131 Uiso 0.50 1 calc B -3 R .
H80B H -0.6276 0.2086 -0.1245 0.131 Uiso 0.50 1 calc B -3 R .
C79 C -0.6075(7) 0.1452(7) -0.0606(5) 0.154(11) Uiso 0.50 1 d B -3 G .
H79A H -0.6488 0.1717 -0.0448 0.185 Uiso 0.50 1 calc B -3 R .
H79B H -0.6356 0.1014 -0.0777 0.185 Uiso 0.50 1 calc B -3 R .
C89 C -0.4935(8) 0.1860(6) 0.0019(3) 0.097(7) Uiso 0.50 1 d B -3 G .
H89A H -0.4445 0.1699 0.0276 0.117 Uiso 0.50 1 calc B -3 R .
H89B H -0.5318 0.2140 0.0190 0.117 Uiso 0.50 1 calc B -3 R .
C90 C -0.4637(6) 0.2341(6) -0.0364(5) 0.120 Uiso 0.50 1 d B -3 G .
H90A H -0.4320 0.2762 -0.0190 0.144 Uiso 0.50 1 calc B -3 R .
H90B H -0.4250 0.2059 -0.0533 0.144 Uiso 0.50 1 calc B -3 R .


_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
Ni2 Ni3 2.8328(10) . ?
Ni2 Ni1 2.8482(9) . ?
Ni2 Cl0A 2.7232(7) . ?
Ni2 O12 2.021(3) . ?
Ni2 O7 2.001(3) 3 ?
Ni2 O15 2.066(3) . ?
Ni2 O9 2.028(3) . ?
Ni2 O10 2.028(3) . ?
Ni3 Ni1 2.8231(9) 3 ?
Ni3 O8 2.019(3) . ?
Ni3 O12 2.012(3) . ?
Ni3 O11 2.029(3) . ?
Ni3 N1 2.034(4) . ?
Ni3 O9 2.046(3) . ?
Ni1 Ni3 2.8232(9) 3 ?
Ni1 O8 2.017(3) 3 ?
Ni1 O7 1.998(3) 3 ?
Ni1 O13 2.108(4) . ?
Ni1 O11 2.005(3) 3 ?
Ni1 O10 2.019(3) . ?
Cl0A Ni2 2.7232(7) 3 ?
Si2 O1 1.630(4) . ?
Si2 O6 1.632(3) . ?
Si2 O7 1.591(4) . ?
Si2 C21 1.867(6) . ?
Si6 O3 1.634(4) . ?
Si6 O2 1.637(4) . ?
Si6 O11 1.590(4) 3 ?
Si6 C61 1.861(5) . ?
Si1 O1 1.640(4) . ?
Si1 O2 1.626(4) . ?
Si1 O12 1.597(4) 3 ?
Si1 C11 1.861(5) . ?
Si4 O4 1.627(4) . ?
Si4 O5 1.641(4) . ?
Si4 O9 1.587(4) . ?
Si4 C41 1.865(5) . ?
Si5 O3 1.630(4) . ?
Si5 O4 1.627(4) . ?
Si5 O10 1.594(4) . ?
Si5 C51 1.862(6) . ?
Si3 O6 1.628(3) . ?
Si3 O8 1.591(4) . ?
Si3 O5 1.630(4) . ?
Si3 C31 1.872(5) . ?
Na1 O28 2.345(5) 3_455 ?
Na1 O28 2.345(5) . ?
Na1 O26 2.420(5) 3_455 ?
Na1 O26 2.420(5) . ?
Na1 O22 2.348(7) 3_455 ?
Na1 O22 2.348(7) . ?
Na1 O23 2.378(8) . ?
Na1 O23 2.378(8) 3_455 ?
O8 Ni1 2.017(3) 3 ?
O12 Si1 1.597(4) 3 ?
O7 Ni2 2.000(3) 3 ?
O7 Ni1 1.998(3) 3 ?
O13 C17 1.435(6) . ?
O13 C20 1.454(6) . ?
O14 C18 1.438(7) . ?
O14 C19 1.439(7) . ?
O15 C27 1.437(6) . ?
O15 C30 1.441(6) . ?
O16 C28 1.434(6) . ?
O16 C29 1.428(6) . ?
O11 Ni1 2.005(3) 3 ?
O11 Si6 1.590(4) 3 ?
O18 C50 1.431(8) . ?
O18 C47 1.428(8) . ?
O17 C49 1.428(8) . ?
O17 C48 1.418(9) . ?
O21 C37 1.429(7) . ?
O21 C40 1.426(7) . ?
O20 C39 1.432(7) . ?
O20 C38 1.421(7) . ?
N1 C1 1.133(6) . ?
C31 C36 1.394(8) . ?
C31 C32 1.385(8) . ?
C11 C16 1.393(8) . ?
C11 C12 1.397(8) . ?
C61 C66 1.417(7) . ?
C61 C62 1.391(7) . ?
C41 C42 1.395(7) . ?
C41 C46 1.399(8) . ?
C21 C26 1.394(8) . ?
C21 C22 1.397(7) . ?
C51 C52 1.397(7) . ?
C51 C56 1.404(7) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.512(7) . ?
C2 C1 1.461(7) . ?
C2 C3 1.381(8) . ?
C2 C7 1.402(7) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.500(8) . ?
C52 H52 0.9500 . ?
C52 C53 1.397(8) . ?
C42 H42 0.9500 . ?
C42 C43 1.409(7) . ?
O28 H28C 0.8854 . ?
O28 H28D 0.8851 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C19 1.497(8) . ?
C66 H66 0.9500 . ?
C66 C65 1.387(8) . ?
C62 H62 0.9500 . ?
C62 C63 1.387(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.385(7) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
O26 C57 1.49(2) . ?
O26 C60 1.475(18) . ?
O26 C70 1.451(17) . ?
O26 C67 1.467(13) . ?
C25 H25 0.9500 . ?
C25 C26 1.404(8) . ?
C25 C24 1.383(8) . ?
C36 H36 0.9500 . ?
C36 C35 1.388(8) . ?
C46 H46 0.9500 . ?
C46 C45 1.393(8) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C29 1.516(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.373(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.379(8) . ?
C56 H56 0.9500 . ?
C56 C55 1.383(8) . ?
C6 H6 0.9500 . ?
C6 C7 1.390(8) . ?
C54 H54 0.9500 . ?
C54 C53 1.382(8) . ?
C54 C55 1.376(8) . ?
C64 H64 0.9500 . ?
C64 C65 1.381(9) . ?
C64 C63 1.400(9) . ?
C16 H16 0.9500 . ?
C16 C15 1.392(8) . ?
C53 H53 0.9500 . ?
C7 H7 0.9500 . ?
C23 H23 0.9500 . ?
C23 C22 1.414(8) . ?
C23 C24 1.376(9) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C43 H43 0.9500 . ?
C43 C44 1.387(8) . ?
C55 H55 0.9500 . ?
O27 C58 1.432(14) . ?
O27 C59 1.463(18) . ?
O27 C69 1.341(15) . ?
O27 C68 1.41(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C45 H45 0.9500 . ?
C45 C44 1.378(8) . ?
C26 H26 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C44 H44 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.398(8) . ?
C12 H12 0.9500 . ?
C12 C13 1.392(8) . ?
C14 H14 0.9500 . ?
C14 C13 1.378(9) . ?
C14 C15 1.364(9) . ?
C65 H65 0.9500 . ?
C13 H13 0.9500 . ?
C63 H63 0.9500 . ?
C22 H22 0.9500 . ?
C24 H24 0.9500 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.514(8) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.504(9) . ?
C35 H35 0.9500 . ?
C35 C34 1.369(10) . ?
C33 H33 0.9500 . ?
C33 C34 1.363(9) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C49 1.488(10) . ?
C15 H15 0.9500 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C34 H34 0.9500 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C47 1.472(10) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
O19 C8 1.433(7) . ?
O19 C9 1.435(8) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.517(8) 3_565 ?
C9 C8 1.517(8) 3_565 ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C58 H58 0.9500 . ?
C58 C57 1.34(2) . ?
C57 H57 0.9500 . ?
C60 H60 0.9500 . ?
C60 C59 1.26(2) . ?
C59 H59 0.9500 . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C70 C69 1.39(2) . ?
C69 H69 0.9500 . ?
C67 H67 0.9500 . ?
C67 C68 1.32(2) . ?
C68 H68 0.9500 . ?
O22 C77 1.4468 . ?
O22 C87 1.4380 . ?
O24 C78 1.4388 . ?
O24 C88 1.4330 . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C77 C78 1.5042 . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C88 C87 1.5104 . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
O25 C80 1.4995 . ?
O25 C90 1.4683 . ?
O23 C79 1.4388 . ?
O23 C89 1.4330 . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C80 C79 1.5046 . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C89 C90 1.5107 . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?

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
Ni3 Ni2 Ni1 124.97(3) . . ?
Cl0A Ni2 Ni3 64.04(2) . . ?
Cl0A Ni2 Ni1 60.93(2) . . ?
O12 Ni2 Ni3 45.26(10) . . ?
O12 Ni2 Ni1 128.64(10) . . ?
O12 Ni2 Cl0A 86.16(10) . . ?
O12 Ni2 O15 90.90(14) . . ?
O12 Ni2 O9 82.62(14) . . ?
O12 Ni2 O10 171.50(14) . . ?
O7 Ni2 Ni3 129.25(10) 3 . ?
O7 Ni2 Ni1 44.55(9) 3 . ?
O7 Ni2 Cl0A 83.78(10) 3 . ?
O7 Ni2 O12 97.83(14) 3 . ?
O7 Ni2 O15 91.91(14) 3 . ?
O7 Ni2 O9 171.10(14) 3 . ?
O7 Ni2 O10 80.27(14) 3 . ?
O15 Ni2 Ni3 116.77(10) . . ?
O15 Ni2 Ni1 117.99(10) . . ?
O15 Ni2 Cl0A 174.40(11) . . ?
O9 Ni2 Ni3 46.20(10) . . ?
O9 Ni2 Ni1 129.07(10) . . ?
O9 Ni2 Cl0A 87.39(10) . . ?
O9 Ni2 O15 96.97(14) . . ?
O9 Ni2 O10 97.98(14) . . ?
O10 Ni2 Ni3 130.47(10) . . ?
O10 Ni2 Ni1 45.15(9) . . ?
O10 Ni2 Cl0A 85.40(10) . . ?
O10 Ni2 O15 97.43(14) . . ?
Ni1 Ni3 Ni2 114.80(3) 3 . ?
O8 Ni3 Ni2 122.69(10) . . ?
O8 Ni3 Ni1 45.59(9) . 3 ?
O8 Ni3 O11 81.82(14) . . ?
O8 Ni3 N1 96.08(15) . . ?
O8 Ni3 O9 95.31(14) . . ?
O12 Ni3 Ni2 45.50(10) . . ?
O12 Ni3 Ni1 122.50(10) . 3 ?
O12 Ni3 O8 162.74(14) . . ?
O12 Ni3 O11 95.76(14) . . ?
O12 Ni3 N1 101.17(16) . . ?
O12 Ni3 O9 82.39(14) . . ?
O11 Ni3 Ni2 123.85(10) . . ?
O11 Ni3 Ni1 45.24(9) . 3 ?
O11 Ni3 N1 99.00(15) . . ?
O11 Ni3 O9 164.32(13) . . ?
N1 Ni3 Ni2 123.39(13) . . ?
N1 Ni3 Ni1 121.73(13) . 3 ?
N1 Ni3 O9 96.64(16) . . ?
O9 Ni3 Ni2 45.68(10) . . ?
O9 Ni3 Ni1 123.50(10) . 3 ?
Ni3 Ni1 Ni2 120.24(3) 3 . ?
O8 Ni1 Ni2 125.77(10) 3 . ?
O8 Ni1 Ni3 45.65(9) 3 3 ?
O8 Ni1 O13 92.15(14) 3 . ?
O8 Ni1 O10 168.30(15) 3 . ?
O7 Ni1 Ni2 44.61(10) 3 . ?
O7 Ni1 Ni3 126.35(10) 3 3 ?
O7 Ni1 O8 96.54(14) 3 3 ?
O7 Ni1 O13 99.20(14) 3 . ?
O7 Ni1 O11 167.89(14) 3 3 ?
O7 Ni1 O10 80.53(14) 3 . ?
O13 Ni1 Ni2 124.37(9) . . ?
O13 Ni1 Ni3 115.36(9) . 3 ?
O11 Ni1 Ni2 127.20(10) 3 . ?
O11 Ni1 Ni3 45.94(10) 3 3 ?
O11 Ni1 O8 82.46(13) 3 3 ?
O11 Ni1 O13 92.91(13) 3 . ?
O11 Ni1 O10 98.01(13) 3 . ?
O10 Ni1 Ni2 45.40(10) . . ?
O10 Ni1 Ni3 127.98(10) . 3 ?
O10 Ni1 O13 99.49(14) . . ?
Ni2 Cl0A Ni2 180.0 3 . ?
O1 Si2 O6 108.7(2) . . ?
O1 Si2 C21 107.9(2) . . ?
O6 Si2 C21 107.5(2) . . ?
O7 Si2 O1 112.53(19) . . ?
O7 Si2 O6 109.96(18) . . ?
O7 Si2 C21 110.1(2) . . ?
O3 Si6 O2 108.04(19) . . ?
O3 Si6 C61 106.1(2) . . ?
O2 Si6 C61 108.4(2) . . ?
O11 Si6 O3 112.20(18) 3 . ?
O11 Si6 O2 110.68(19) 3 . ?
O11 Si6 C61 111.2(2) 3 . ?
O1 Si1 C11 106.2(2) . . ?
O2 Si1 O1 107.52(19) . . ?
O2 Si1 C11 105.4(2) . . ?
O12 Si1 O1 111.15(19) 3 . ?
O12 Si1 O2 112.48(19) 3 . ?
O12 Si1 C11 113.7(2) 3 . ?
O4 Si4 O5 106.52(18) . . ?
O4 Si4 C41 105.9(2) . . ?
O5 Si4 C41 105.8(2) . . ?
O9 Si4 O4 113.11(19) . . ?
O9 Si4 O5 111.80(19) . . ?
O9 Si4 C41 113.1(2) . . ?
O3 Si5 O4 109.09(19) . . ?
O3 Si5 C51 107.2(2) . . ?
O4 Si5 C51 106.4(2) . . ?
O10 Si5 O3 111.09(18) . . ?
O10 Si5 O4 110.49(19) . . ?
O10 Si5 C51 112.4(2) . . ?
O6 Si3 O5 108.15(19) . . ?
O6 Si3 C31 105.8(2) . . ?
O8 Si3 O6 112.19(18) . . ?
O8 Si3 O5 110.58(19) . . ?
O8 Si3 C31 113.3(2) . . ?
O5 Si3 C31 106.5(2) . . ?
Si5 O3 Si6 136.0(2) . . ?
Si2 O1 Si1 136.1(2) . . ?
Si3 O6 Si2 136.3(2) . . ?
Si1 O2 Si6 135.8(2) . . ?
Si4 O4 Si5 137.0(2) . . ?
O28 Na1 O28 180.0 . 3_455 ?
O28 Na1 O26 94.26(16) . . ?
O28 Na1 O26 85.74(16) 3_455 . ?
O28 Na1 O26 85.74(16) . 3_455 ?
O28 Na1 O26 94.26(16) 3_455 3_455 ?
O28 Na1 O22 89.1(3) 3_455 3_455 ?
O28 Na1 O22 90.9(3) . 3_455 ?
O28 Na1 O22 90.9(3) 3_455 . ?
O28 Na1 O22 89.1(3) . . ?
O28 Na1 O23 101.7(3) 3_455 . ?
O28 Na1 O23 101.7(10) . 3_455 ?
O28 Na1 O23 78.3(10) 3_455 3_455 ?
O28 Na1 O23 78.3(3) . . ?
O26 Na1 O26 180.0 . 3_455 ?
O22 Na1 O26 91.9(3) 3_455 . ?
O22 Na1 O26 91.9(3) . 3_455 ?
O22 Na1 O26 88.1(3) 3_455 3_455 ?
O22 Na1 O26 88.1(3) . . ?
O22 Na1 O22 180.0 . 3_455 ?
O22 Na1 O23 11.8(4) . . ?
O22 Na1 O23 168.2(11) . 3_455 ?
O22 Na1 O23 168.2(4) 3_455 . ?
O22 Na1 O23 11.8(11) 3_455 3_455 ?
O23 Na1 O26 86.5(3) . 3_455 ?
O23 Na1 O26 93.5(10) 3_455 3_455 ?
O23 Na1 O26 93.5(3) . . ?
O23 Na1 O26 86.5(10) 3_455 . ?
O23 Na1 O23 180.0(17) 3_455 . ?
Ni1 O8 Ni3 88.76(13) 3 . ?
Si3 O8 Ni3 132.8(2) . . ?
Si3 O8 Ni1 129.98(19) . 3 ?
Ni3 O12 Ni2 89.24(13) . . ?
Si1 O12 Ni2 131.1(2) 3 . ?
Si1 O12 Ni3 130.8(2) 3 . ?
Si3 O5 Si4 136.4(2) . . ?
Ni1 O7 Ni2 90.84(14) 3 3 ?
Si2 O7 Ni2 129.9(2) . 3 ?
Si2 O7 Ni1 132.5(2) . 3 ?
C17 O13 Ni1 118.2(3) . . ?
C17 O13 C20 109.4(4) . . ?
C20 O13 Ni1 117.2(3) . . ?
C18 O14 C19 109.5(4) . . ?
C27 O15 Ni2 120.5(3) . . ?
C27 O15 C30 110.4(4) . . ?
C30 O15 Ni2 120.4(3) . . ?
C29 O16 C28 109.3(4) . . ?
Ni1 O11 Ni3 88.83(14) 3 . ?
Si6 O11 Ni3 132.2(2) 3 . ?
Si6 O11 Ni1 129.78(19) 3 3 ?
C47 O18 C50 108.4(5) . . ?
C48 O17 C49 109.3(6) . . ?
C40 O21 C37 109.4(5) . . ?
C38 O20 C39 108.8(5) . . ?
C1 N1 Ni3 173.8(4) . . ?
Ni2 O9 Ni3 88.13(13) . . ?
Si4 O9 Ni2 129.2(2) . . ?
Si4 O9 Ni3 131.3(2) . . ?
Ni1 O10 Ni2 89.45(14) . . ?
Si5 O10 Ni2 131.1(2) . . ?
Si5 O10 Ni1 130.4(2) . . ?
C36 C31 Si3 121.3(4) . . ?
C32 C31 Si3 122.0(4) . . ?
C32 C31 C36 116.8(5) . . ?
C16 C11 Si1 121.7(4) . . ?
C16 C11 C12 116.4(5) . . ?
C12 C11 Si1 121.8(4) . . ?
C66 C61 Si6 121.7(4) . . ?
C62 C61 Si6 121.4(4) . . ?
C62 C61 C66 116.8(5) . . ?
C42 C41 Si4 122.3(4) . . ?
C46 C41 Si4 121.0(4) . . ?
C46 C41 C42 116.6(5) . . ?
C26 C21 Si2 118.3(4) . . ?
C26 C21 C22 117.6(5) . . ?
C22 C21 Si2 124.1(4) . . ?
C52 C51 Si5 120.4(4) . . ?
C56 C51 Si5 123.9(4) . . ?
C56 C51 C52 115.7(5) . . ?
O15 C27 H27A 109.7 . . ?
O15 C27 H27B 109.7 . . ?
O15 C27 C28 109.7(4) . . ?
H27A C27 H27B 108.2 . . ?
C28 C27 H27A 109.7 . . ?
C28 C27 H27B 109.7 . . ?
C3 C2 C1 119.6(5) . . ?
C3 C2 C7 121.5(5) . . ?
C7 C2 C1 118.8(5) . . ?
O13 C17 H17A 109.7 . . ?
O13 C17 H17B 109.7 . . ?
O13 C17 C18 109.9(5) . . ?
H17A C17 H17B 108.2 . . ?
C18 C17 H17A 109.7 . . ?
C18 C17 H17B 109.7 . . ?
C51 C52 H52 118.9 . . ?
C53 C52 C51 122.3(5) . . ?
C53 C52 H52 118.9 . . ?
N1 C1 C2 178.4(6) . . ?
C41 C42 H42 119.2 . . ?
C41 C42 C43 121.7(5) . . ?
C43 C42 H42 119.2 . . ?
Na1 O28 H28C 109.9 . . ?
Na1 O28 H28D 110.1 . . ?
H28C O28 H28D 108.7 . . ?
O13 C20 H20A 109.9 . . ?
O13 C20 H20B 109.9 . . ?
O13 C20 C19 109.0(4) . . ?
H20A C20 H20B 108.3 . . ?
C19 C20 H20A 109.9 . . ?
C19 C20 H20B 109.9 . . ?
C61 C66 H66 119.4 . . ?
C65 C66 C61 121.2(5) . . ?
C65 C66 H66 119.4 . . ?
C61 C62 H62 118.9 . . ?
C63 C62 C61 122.1(6) . . ?
C63 C62 H62 118.9 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.8(6) . . ?
C4 C3 H3 120.1 . . ?
O14 C18 C17 112.1(5) . . ?
O14 C18 H18A 109.2 . . ?
O14 C18 H18B 109.2 . . ?
C17 C18 H18A 109.2 . . ?
C17 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
C57 O26 Na1 127.6(8) . . ?
C60 O26 Na1 122.4(8) . . ?
C60 O26 C57 100.0(11) . . ?
C70 O26 Na1 120.4(7) . . ?
C70 O26 C57 112.0(11) . . ?
C70 O26 C60 33.4(8) . . ?
C70 O26 C67 105.8(9) . . ?
C67 O26 Na1 117.6(6) . . ?
C67 O26 C57 43.5(8) . . ?
C67 O26 C60 119.4(10) . . ?
C26 C25 H25 120.9 . . ?
C24 C25 H25 120.9 . . ?
C24 C25 C26 118.2(6) . . ?
C31 C36 H36 119.0 . . ?
C35 C36 C31 122.0(6) . . ?
C35 C36 H36 119.0 . . ?
C41 C46 H46 118.9 . . ?
C45 C46 C41 122.2(6) . . ?
C45 C46 H46 118.9 . . ?
O15 C30 H30A 109.6 . . ?
O15 C30 H30B 109.6 . . ?
O15 C30 C29 110.4(4) . . ?
H30A C30 H30B 108.1 . . ?
C29 C30 H30A 109.6 . . ?
C29 C30 H30B 109.6 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.4(6) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 120.9(5) . . ?
C6 C5 H5 119.5 . . ?
C51 C56 H56 118.9 . . ?
C55 C56 C51 122.1(5) . . ?
C55 C56 H56 118.9 . . ?
C5 C6 H6 119.4 . . ?
C5 C6 C7 121.1(6) . . ?
C7 C6 H6 119.4 . . ?
C53 C54 H54 120.6 . . ?
C55 C54 H54 120.6 . . ?
C55 C54 C53 118.8(6) . . ?
C65 C64 H64 120.5 . . ?
C65 C64 C63 119.0(6) . . ?
C63 C64 H64 120.5 . . ?
C11 C16 H16 118.9 . . ?
C15 C16 C11 122.3(6) . . ?
C15 C16 H16 118.9 . . ?
C52 C53 H53 119.9 . . ?
C54 C53 C52 120.1(5) . . ?
C54 C53 H53 119.9 . . ?
C2 C7 H7 121.4 . . ?
C6 C7 C2 117.2(6) . . ?
C6 C7 H7 121.4 . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C24 C23 C22 119.4(6) . . ?
O16 C28 C27 109.9(4) . . ?
O16 C28 H28A 109.7 . . ?
O16 C28 H28B 109.7 . . ?
C27 C28 H28A 109.7 . . ?
C27 C28 H28B 109.7 . . ?
H28A C28 H28B 108.2 . . ?
C42 C43 H43 120.2 . . ?
C44 C43 C42 119.6(5) . . ?
C44 C43 H43 120.2 . . ?
C56 C55 C54 121.0(6) . . ?
C56 C55 H55 119.5 . . ?
C54 C55 H55 119.5 . . ?
C58 O27 C59 108.9(10) . . ?
C69 O27 C58 120.5(9) . . ?
C69 O27 C59 38.7(8) . . ?
C69 O27 C68 108.0(11) . . ?
C68 O27 C58 20.5(9) . . ?
C68 O27 C59 110.3(12) . . ?
O16 C29 C30 111.1(4) . . ?
O16 C29 H29A 109.4 . . ?
O16 C29 H29B 109.4 . . ?
C30 C29 H29A 109.4 . . ?
C30 C29 H29B 109.4 . . ?
H29A C29 H29B 108.0 . . ?
C46 C45 H45 120.0 . . ?
C44 C45 C46 120.0(6) . . ?
C44 C45 H45 120.0 . . ?
C21 C26 C25 122.4(6) . . ?
C21 C26 H26 118.8 . . ?
C25 C26 H26 118.8 . . ?
O14 C19 C20 111.2(5) . . ?
O14 C19 H19A 109.4 . . ?
O14 C19 H19B 109.4 . . ?
C20 C19 H19A 109.4 . . ?
C20 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
C43 C44 H44 120.1 . . ?
C45 C44 C43 119.8(5) . . ?
C45 C44 H44 120.1 . . ?
C31 C32 H32 119.5 . . ?
C31 C32 C33 121.0(6) . . ?
C33 C32 H32 119.5 . . ?
C11 C12 H12 119.3 . . ?
C13 C12 C11 121.5(6) . . ?
C13 C12 H12 119.3 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C15 C14 C13 120.0(6) . . ?
C66 C65 C64 120.8(6) . . ?
C66 C65 H65 119.6 . . ?
C64 C65 H65 119.6 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.1(6) . . ?
C14 C13 H13 120.0 . . ?
C62 C63 C64 120.1(6) . . ?
C62 C63 H63 120.0 . . ?
C64 C63 H63 120.0 . . ?
C21 C22 C23 120.9(6) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C25 C24 H24 119.2 . . ?
C23 C24 C25 121.5(6) . . ?
C23 C24 H24 119.2 . . ?
O21 C37 H37A 109.6 . . ?
O21 C37 H37B 109.6 . . ?
O21 C37 C38 110.3(5) . . ?
H37A C37 H37B 108.1 . . ?
C38 C37 H37A 109.6 . . ?
C38 C37 H37B 109.6 . . ?
O20 C39 H39A 109.5 . . ?
O20 C39 H39B 109.5 . . ?
O20 C39 C40 110.6(5) . . ?
H39A C39 H39B 108.1 . . ?
C40 C39 H39A 109.5 . . ?
C40 C39 H39B 109.5 . . ?
C36 C35 H35 120.1 . . ?
C34 C35 C36 119.8(6) . . ?
C34 C35 H35 120.1 . . ?
C32 C33 H33 119.7 . . ?
C34 C33 C32 120.7(6) . . ?
C34 C33 H33 119.7 . . ?
O18 C50 H50A 109.3 . . ?
O18 C50 H50B 109.3 . . ?
O18 C50 C49 111.6(6) . . ?
H50A C50 H50B 108.0 . . ?
C49 C50 H50A 109.3 . . ?
C49 C50 H50B 109.3 . . ?
C16 C15 H15 120.1 . . ?
C14 C15 C16 119.8(6) . . ?
C14 C15 H15 120.1 . . ?
O17 C49 C50 109.9(6) . . ?
O17 C49 H49A 109.7 . . ?
O17 C49 H49B 109.7 . . ?
C50 C49 H49A 109.7 . . ?
C50 C49 H49B 109.7 . . ?
H49A C49 H49B 108.2 . . ?
O21 C40 C39 110.5(5) . . ?
O21 C40 H40A 109.6 . . ?
O21 C40 H40B 109.6 . . ?
C39 C40 H40A 109.6 . . ?
C39 C40 H40B 109.6 . . ?
H40A C40 H40B 108.1 . . ?
C35 C34 H34 120.2 . . ?
C33 C34 C35 119.7(6) . . ?
C33 C34 H34 120.2 . . ?
O20 C38 C37 110.9(5) . . ?
O20 C38 H38A 109.5 . . ?
O20 C38 H38B 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 108.0 . . ?
O17 C48 H48A 109.4 . . ?
O17 C48 H48B 109.4 . . ?
O17 C48 C47 111.3(6) . . ?
H48A C48 H48B 108.0 . . ?
C47 C48 H48A 109.4 . . ?
C47 C48 H48B 109.4 . . ?
O18 C47 C48 111.2(6) . . ?
O18 C47 H47A 109.4 . . ?
O18 C47 H47B 109.4 . . ?
C48 C47 H47A 109.4 . . ?
C48 C47 H47B 109.4 . . ?
H47A C47 H47B 108.0 . . ?
C8 O19 C9 110.1(5) . . ?
O19 C8 H8A 109.5 . . ?
O19 C8 H8B 109.5 . . ?
O19 C8 C9 110.9(5) . 3_565 ?
H8A C8 H8B 108.0 . . ?
C9 C8 H8A 109.5 3_565 . ?
C9 C8 H8B 109.5 3_565 . ?
O19 C9 C8 110.0(5) . 3_565 ?
O19 C9 H9A 109.7 . . ?
O19 C9 H9B 109.7 . . ?
C8 C9 H9A 109.7 3_565 . ?
C8 C9 H9B 109.7 3_565 . ?
H9A C9 H9B 108.2 . . ?
O27 C58 H58 122.7 . . ?
C57 C58 O27 114.6(13) . . ?
C57 C58 H58 122.7 . . ?
O26 C57 H57 119.8 . . ?
C58 C57 O26 120.5(16) . . ?
C58 C57 H57 119.8 . . ?
O26 C60 H60 120.9 . . ?
C59 C60 O26 118.2(17) . . ?
C59 C60 H60 120.9 . . ?
O27 C59 H59 116.7 . . ?
C60 C59 O27 126.5(17) . . ?
C60 C59 H59 116.7 . . ?
O26 C70 H70A 107.0 . . ?
O26 C70 H70B 107.0 . . ?
H70A C70 H70B 106.8 . . ?
C69 C70 O26 121.1(14) . . ?
C69 C70 H70A 107.0 . . ?
C69 C70 H70B 107.0 . . ?
O27 C69 C70 120.7(14) . . ?
O27 C69 H69 119.6 . . ?
C70 C69 H69 119.6 . . ?
O26 C67 H67 123.2 . . ?
C68 C67 O26 113.6(13) . . ?
C68 C67 H67 123.2 . . ?
O27 C68 H68 115.7 . . ?
C67 C68 O27 128.7(18) . . ?
C67 C68 H68 115.7 . . ?
C77 O22 Na1 123.9(6) . . ?
C87 O22 Na1 116.5(6) . . ?
C87 O22 C77 109.7 . . ?
C88 O24 C78 110.6 . . ?
O22 C77 H77A 109.5 . . ?
O22 C77 H77B 109.5 . . ?
O22 C77 C78 110.7 . . ?
H77A C77 H77B 108.1 . . ?
C78 C77 H77A 109.5 . . ?
C78 C77 H77B 109.5 . . ?
O24 C78 C77 110.0 . . ?
O24 C78 H78A 109.7 . . ?
O24 C78 H78B 109.7 . . ?
C77 C78 H78A 109.7 . . ?
C77 C78 H78B 109.7 . . ?
H78A C78 H78B 108.2 . . ?
O24 C88 H88A 109.6 . . ?
O24 C88 H88B 109.6 . . ?
O24 C88 C87 110.1 . . ?
H88A C88 H88B 108.2 . . ?
C87 C88 H88A 109.6 . . ?
C87 C88 H88B 109.6 . . ?
O22 C87 C88 109.9 . . ?
O22 C87 H87A 109.7 . . ?
O22 C87 H87B 109.7 . . ?
C88 C87 H87A 109.7 . . ?
C88 C87 H87B 109.7 . . ?
H87A C87 H87B 108.2 . . ?
C90 O25 C80 105.3 . . ?
C79 O23 Na1 124.8(7) . . ?
C89 O23 Na1 124.5(7) . . ?
C89 O23 C79 110.7 . . ?
O25 C80 H80A 109.3 . . ?
O25 C80 H80B 109.3 . . ?
O25 C80 C79 111.8 . . ?
H80A C80 H80B 107.9 . . ?
C79 C80 H80A 109.3 . . ?
C79 C80 H80B 109.3 . . ?
O23 C79 C80 110.0 . . ?
O23 C79 H79A 109.7 . . ?
O23 C79 H79B 109.7 . . ?
C80 C79 H79A 109.7 . . ?
C80 C79 H79B 109.7 . . ?
H79A C79 H79B 108.2 . . ?
O23 C89 H89A 109.6 . . ?
O23 C89 H89B 109.6 . . ?
O23 C89 C90 110.1 . . ?
H89A C89 H89B 108.2 . . ?
C90 C89 H89A 109.6 . . ?
C90 C89 H89B 109.6 . . ?
O25 C90 C89 111.4 . . ?
O25 C90 H90A 109.4 . . ?
O25 C90 H90B 109.4 . . ?
C89 C90 H90A 109.4 . . ?
C89 C90 H90B 109.4 . . ?
H90A C90 H90B 108.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ni2 Ni3 O8 Ni1 -93.96(12) . . . 3 ?
Ni2 Ni3 O8 Si3 55.0(3) . . . . ?
Ni2 Ni3 O12 Si1 148.9(3) . . . 3 ?
Ni2 Ni3 O11 Ni1 92.64(12) . . . 3 ?
Ni2 Ni3 O11 Si6 -55.0(3) . . . 3 ?
Ni2 Ni3 N1 C1 -103(4) . . . . ?
Ni2 Ni3 O9 Si4 -144.4(3) . . . . ?
Ni2 Ni1 O13 C17 50.9(4) . . . . ?
Ni2 Ni1 O13 C20 -174.7(3) . . . . ?
Ni2 Ni1 O10 Si5 148.8(3) . . . . ?
Ni2 O15 C27 C28 154.0(3) . . . . ?
Ni2 O15 C30 C29 -156.2(3) . . . . ?
Ni3 Ni2 Ni1 Ni3 0.26(5) . . . 3 ?
Ni3 Ni2 Ni1 O8 54.99(13) . . . 3 ?
Ni3 Ni2 Ni1 O7 112.96(15) . . . 3 ?
Ni3 Ni2 Ni1 O13 178.28(12) . . . . ?
Ni3 Ni2 Ni1 O11 -55.12(13) . . . 3 ?
Ni3 Ni2 Ni1 O10 -114.93(14) . . . . ?
Ni3 Ni2 Cl0A Ni2 49.4(14) . . . 3 ?
Ni3 Ni2 O12 Si1 -148.7(3) . . . 3 ?
Ni3 Ni2 O15 C27 176.0(3) . . . . ?
Ni3 Ni2 O15 C30 31.3(4) . . . . ?
Ni3 Ni2 O9 Si4 145.6(3) . . . . ?
Ni3 Ni2 O10 Ni1 102.36(12) . . . . ?
Ni3 Ni2 O10 Si5 -46.1(3) . . . . ?
Ni3 Ni1 O13 C17 -131.0(3) 3 . . . ?
Ni3 Ni1 O13 C20 3.4(4) 3 . . . ?
Ni3 Ni1 O10 Ni2 -97.32(12) 3 . . . ?
Ni3 Ni1 O10 Si5 51.5(3) 3 . . . ?
Ni3 N1 C1 C2 70(25) . . . . ?
Ni1 Ni2 Ni3 Ni1 -0.25(5) . . . 3 ?
Ni1 Ni2 Ni3 O8 51.48(12) . . . . ?
Ni1 Ni2 Ni3 O12 -112.31(14) . . . . ?
Ni1 Ni2 Ni3 O11 -51.63(12) . . . . ?
Ni1 Ni2 Ni3 N1 176.49(14) . . . . ?
Ni1 Ni2 Ni3 O9 113.25(13) . . . . ?
Ni1 Ni2 Cl0A Ni2 -130.7(14) . . . 3 ?
Ni1 Ni2 O12 Ni3 103.94(11) . . . . ?
Ni1 Ni2 O12 Si1 -44.8(3) . . . 3 ?
Ni1 Ni2 O15 C27 -9.6(4) . . . . ?
Ni1 Ni2 O15 C30 -154.3(3) . . . . ?
Ni1 Ni2 O9 Ni3 -104.15(11) . . . . ?
Ni1 Ni2 O9 Si4 41.5(3) . . . . ?
Ni1 Ni2 O10 Si5 -148.5(3) . . . . ?
Ni1 Ni3 O8 Si3 148.9(3) 3 . . . ?
Ni1 Ni3 O12 Ni2 -94.08(12) 3 . . . ?
Ni1 Ni3 O12 Si1 54.8(3) 3 . . 3 ?
Ni1 Ni3 O11 Si6 -147.7(3) 3 . . 3 ?
Ni1 Ni3 N1 C1 74(4) 3 . . . ?
Ni1 Ni3 O9 Ni2 93.24(11) 3 . . . ?
Ni1 Ni3 O9 Si4 -51.1(3) 3 . . . ?
Ni1 O13 C17 C18 -163.5(4) . . . . ?
Ni1 O13 C20 C19 161.6(4) . . . . ?
Cl0A Ni2 Ni3 Ni1 -0.12(2) . . . 3 ?
Cl0A Ni2 Ni3 O8 51.61(11) . . . . ?
Cl0A Ni2 Ni3 O12 -112.19(14) . . . . ?
Cl0A Ni2 Ni3 O11 -51.50(11) . . . . ?
Cl0A Ni2 Ni3 N1 176.62(14) . . . . ?
Cl0A Ni2 Ni3 O9 113.38(13) . . . . ?
Cl0A Ni2 Ni1 Ni3 0.12(3) . . . 3 ?
Cl0A Ni2 Ni1 O8 54.86(12) . . . 3 ?
Cl0A Ni2 Ni1 O7 112.83(14) . . . 3 ?
Cl0A Ni2 Ni1 O13 178.15(12) . . . . ?
Cl0A Ni2 Ni1 O11 -55.25(13) . . . 3 ?
Cl0A Ni2 Ni1 O10 -115.06(14) . . . . ?
Cl0A Ni2 O12 Ni3 56.55(9) . . . . ?
Cl0A Ni2 O12 Si1 -92.2(3) . . . 3 ?
Cl0A Ni2 O15 C27 -87.1(11) . . . . ?
Cl0A Ni2 O15 C30 128.2(9) . . . . ?
Cl0A Ni2 O9 Ni3 -55.70(9) . . . . ?
Cl0A Ni2 O9 Si4 89.9(2) . . . . ?
Cl0A Ni2 O10 Ni1 52.59(9) . . . . ?
Cl0A Ni2 O10 Si5 -95.9(3) . . . . ?
Si2 C21 C26 C25 176.6(4) . . . . ?
Si2 C21 C22 C23 -178.0(4) . . . . ?
Si6 C61 C66 C65 -176.1(5) . . . . ?
Si6 C61 C62 C63 177.5(5) . . . . ?
Si1 C11 C16 C15 -176.3(4) . . . . ?
Si1 C11 C12 C13 176.1(5) . . . . ?
Si4 C41 C42 C43 173.9(4) . . . . ?
Si4 C41 C46 C45 -175.6(5) . . . . ?
Si5 C51 C52 C53 -178.7(4) . . . . ?
Si5 C51 C56 C55 178.9(4) . . . . ?
Si3 C31 C36 C35 -177.1(6) . . . . ?
Si3 C31 C32 C33 178.0(5) . . . . ?
O3 Si6 O2 Si1 127.4(3) . . . . ?
O3 Si6 C61 C66 13.0(5) . . . . ?
O3 Si6 C61 C62 -163.2(4) . . . . ?
O3 Si5 O4 Si4 -133.6(3) . . . . ?
O3 Si5 O10 Ni2 132.9(2) . . . . ?
O3 Si5 O10 Ni1 -3.7(3) . . . . ?
O3 Si5 C51 C52 -160.4(4) . . . . ?
O3 Si5 C51 C56 20.5(5) . . . . ?
O1 Si2 O6 Si3 114.6(3) . . . . ?
O1 Si2 O7 Ni2 13.4(3) . . . 3 ?
O1 Si2 O7 Ni1 -129.1(3) . . . 3 ?
O1 Si2 C21 C26 -167.8(4) . . . . ?
O1 Si2 C21 C22 10.4(5) . . . . ?
O1 Si1 O2 Si6 -126.6(3) . . . . ?
O1 Si1 C11 C16 45.2(5) . . . . ?
O1 Si1 C11 C12 -132.8(5) . . . . ?
O6 Si2 O1 Si1 -127.8(3) . . . . ?
O6 Si2 O7 Ni2 134.8(2) . . . 3 ?
O6 Si2 O7 Ni1 -7.8(3) . . . 3 ?
O6 Si2 C21 C26 75.2(5) . . . . ?
O6 Si2 C21 C22 -106.7(5) . . . . ?
O6 Si3 O8 Ni3 -132.6(3) . . . . ?
O6 Si3 O8 Ni1 5.1(3) . . . 3 ?
O6 Si3 O5 Si4 123.5(3) . . . . ?
O6 Si3 C31 C36 154.5(5) . . . . ?
O6 Si3 C31 C32 -25.0(5) . . . . ?
O2 Si6 O3 Si5 -108.4(3) . . . . ?
O2 Si6 C61 C66 -102.9(5) . . . . ?
O2 Si6 C61 C62 80.9(5) . . . . ?
O2 Si1 O1 Si2 125.0(3) . . . . ?
O2 Si1 C11 C16 159.1(4) . . . . ?
O2 Si1 C11 C12 -18.9(5) . . . . ?
O4 Si4 O5 Si3 -122.1(3) . . . . ?
O4 Si4 O9 Ni2 -4.5(3) . . . . ?
O4 Si4 O9 Ni3 126.8(3) . . . . ?
O4 Si4 C41 C42 162.2(4) . . . . ?
O4 Si4 C41 C46 -20.6(5) . . . . ?
O4 Si5 O3 Si6 108.8(3) . . . . ?
O4 Si5 O10 Ni2 11.7(3) . . . . ?
O4 Si5 O10 Ni1 -124.9(3) . . . . ?
O4 Si5 C51 C52 -43.8(5) . . . . ?
O4 Si5 C51 C56 137.1(4) . . . . ?
Na1 O26 C57 C58 -153.2(12) . . . . ?
Na1 O26 C60 C59 176.6(14) . . . . ?
Na1 O26 C70 C69 170.9(12) . . . . ?
Na1 O26 C67 C68 177.5(11) . . . . ?
Na1 O22 C77 C78 -157.4(8) . . . . ?
Na1 O22 C87 C88 154.1(7) . . . . ?
Na1 O23 C79 C80 -125.1(7) . . . . ?
Na1 O23 C89 C90 124.2(7) . . . . ?
O8 Ni3 O12 Ni2 -52.3(5) . . . . ?
O8 Ni3 O12 Si1 96.5(5) . . . 3 ?
O8 Ni3 O11 Ni1 -31.45(13) . . . 3 ?
O8 Ni3 O11 Si6 -179.1(3) . . . 3 ?
O8 Ni3 N1 C1 33(4) . . . . ?
O8 Ni3 O9 Ni2 131.86(13) . . . . ?
O8 Ni3 O9 Si4 -12.5(3) . . . . ?
O8 Ni1 O13 C17 -171.8(4) 3 . . . ?
O8 Ni1 O13 C20 -37.5(3) 3 . . . ?
O8 Ni1 O10 Ni2 -44.5(7) 3 . . . ?
O8 Ni1 O10 Si5 104.4(7) 3 . . . ?
O8 Si3 O6 Si2 10.1(4) . . . . ?
O8 Si3 O5 Si4 0.2(4) . . . . ?
O8 Si3 C31 C36 -82.2(5) . . . . ?
O8 Si3 C31 C32 98.3(5) . . . . ?
O12 Ni2 Ni3 Ni1 112.07(14) . . . 3 ?
O12 Ni2 Ni3 O8 163.79(18) . . . . ?
O12 Ni2 Ni3 O11 60.69(18) . . . . ?
O12 Ni2 Ni3 N1 -71.2(2) . . . . ?
O12 Ni2 Ni3 O9 -134.43(19) . . . . ?
O12 Ni2 Ni1 Ni3 -57.02(13) . . . 3 ?
O12 Ni2 Ni1 O8 -2.29(18) . . . 3 ?
O12 Ni2 Ni1 O7 55.69(19) . . . 3 ?
O12 Ni2 Ni1 O13 121.00(17) . . . . ?
O12 Ni2 Ni1 O11 -112.39(18) . . . 3 ?
O12 Ni2 Ni1 O10 -172.20(19) . . . . ?
O12 Ni2 Cl0A Ni2 8.2(14) . . . 3 ?
O12 Ni2 O15 C27 -145.3(4) . . . . ?
O12 Ni2 O15 C30 70.0(4) . . . . ?
O12 Ni2 O9 Ni3 30.76(13) . . . . ?
O12 Ni2 O9 Si4 176.4(3) . . . . ?
O12 Ni2 O10 Ni1 45.8(10) . . . . ?
O12 Ni2 O10 Si5 -102.7(9) . . . . ?
O12 Ni3 O8 Ni1 -51.8(5) . . . 3 ?
O12 Ni3 O8 Si3 97.1(5) . . . . ?
O12 Ni3 O11 Ni1 131.33(13) . . . 3 ?
O12 Ni3 O11 Si6 -16.3(3) . . . 3 ?
O12 Ni3 N1 C1 -146(4) . . . . ?
O12 Ni3 O9 Ni2 -30.92(13) . . . . ?
O12 Ni3 O9 Si4 -175.3(3) . . . . ?
O12 Si1 O1 Si2 1.5(4) 3 . . . ?
O12 Si1 O2 Si6 -3.9(4) 3 . . . ?
O12 Si1 C11 C16 -77.3(5) 3 . . . ?
O12 Si1 C11 C12 104.7(5) 3 . . . ?
O5 Si4 O4 Si5 131.2(3) . . . . ?
O5 Si4 O9 Ni2 -124.8(2) . . . . ?
O5 Si4 O9 Ni3 6.5(3) . . . . ?
O5 Si4 C41 C42 -84.9(5) . . . . ?
O5 Si4 C41 C46 92.3(5) . . . . ?
O5 Si3 O6 Si2 -112.1(3) . . . . ?
O5 Si3 O8 Ni3 -11.7(3) . . . . ?
O5 Si3 O8 Ni1 125.9(3) . . . 3 ?
O5 Si3 C31 C36 39.6(5) . . . . ?
O5 Si3 C31 C32 -139.9(5) . . . . ?
O7 Ni2 Ni3 Ni1 56.28(13) 3 . . 3 ?
O7 Ni2 Ni3 O8 108.00(17) 3 . . . ?
O7 Ni2 Ni3 O12 -55.79(18) 3 . . . ?
O7 Ni2 Ni3 O11 4.89(17) 3 . . . ?
O7 Ni2 Ni3 N1 -126.99(19) 3 . . . ?
O7 Ni2 Ni3 O9 169.77(18) 3 . . . ?
O7 Ni2 Ni1 Ni3 -112.71(14) 3 . . 3 ?
O7 Ni2 Ni1 O8 -57.97(18) 3 . . 3 ?
O7 Ni2 Ni1 O13 65.32(19) 3 . . . ?
O7 Ni2 Ni1 O11 -168.08(19) 3 . . 3 ?
O7 Ni2 Ni1 O10 132.1(2) 3 . . . ?
O7 Ni2 Cl0A Ni2 -90.1(14) 3 . . 3 ?
O7 Ni2 O12 Ni3 139.73(13) 3 . . . ?
O7 Ni2 O12 Si1 -9.0(3) 3 . . 3 ?
O7 Ni2 O15 C27 -47.5(4) 3 . . . ?
O7 Ni2 O15 C30 167.9(4) 3 . . . ?
O7 Ni2 O9 Ni3 -62.7(9) 3 . . . ?
O7 Ni2 O9 Si4 82.9(10) 3 . . . ?
O7 Ni2 O10 Ni1 -31.87(13) 3 . . . ?
O7 Ni2 O10 Si5 179.6(3) 3 . . . ?
O7 Ni1 O13 C17 91.2(4) 3 . . . ?
O7 Ni1 O13 C20 -134.5(3) 3 . . . ?
O7 Ni1 O10 Ni2 31.89(13) 3 . . . ?
O7 Ni1 O10 Si5 -179.3(3) 3 . . . ?
O7 Si2 O1 Si1 -5.8(4) . . . . ?
O7 Si2 O6 Si3 -9.0(4) . . . . ?
O7 Si2 C21 C26 -44.6(5) . . . . ?
O7 Si2 C21 C22 133.5(4) . . . . ?
O13 Ni1 O10 Ni2 129.72(13) . . . . ?
O13 Ni1 O10 Si5 -81.4(3) . . . . ?
O13 C17 C18 O14 -57.2(6) . . . . ?
O13 C20 C19 O14 59.9(6) . . . . ?
O15 Ni2 Ni3 Ni1 173.69(12) . . . 3 ?
O15 Ni2 Ni3 O8 -134.58(16) . . . . ?
O15 Ni2 Ni3 O12 61.62(18) . . . . ?
O15 Ni2 Ni3 O11 122.31(16) . . . . ?
O15 Ni2 Ni3 N1 -9.57(19) . . . . ?
O15 Ni2 Ni3 O9 -72.81(18) . . . . ?
O15 Ni2 Ni1 Ni3 -173.61(12) . . . 3 ?
O15 Ni2 Ni1 O8 -118.88(17) . . . 3 ?
O15 Ni2 Ni1 O7 -60.91(18) . . . 3 ?
O15 Ni2 Ni1 O13 4.41(17) . . . . ?
O15 Ni2 Ni1 O11 131.01(17) . . . 3 ?
O15 Ni2 Ni1 O10 71.20(18) . . . . ?
O15 Ni2 Cl0A Ni2 -50.2(17) . . . 3 ?
O15 Ni2 O12 Ni3 -128.22(14) . . . . ?
O15 Ni2 O12 Si1 83.1(3) . . . 3 ?
O15 Ni2 O9 Ni3 120.76(14) . . . . ?
O15 Ni2 O9 Si4 -93.6(3) . . . . ?
O15 Ni2 O10 Ni1 -122.55(13) . . . . ?
O15 Ni2 O10 Si5 89.0(3) . . . . ?
O15 C27 C28 O16 60.5(6) . . . . ?
O15 C30 C29 O16 -56.5(6) . . . . ?
O11 Ni3 O8 Ni1 31.24(13) . . . 3 ?
O11 Ni3 O8 Si3 -179.9(3) . . . . ?
O11 Ni3 O12 Ni2 -133.29(13) . . . . ?
O11 Ni3 O12 Si1 15.6(3) . . . 3 ?
O11 Ni3 N1 C1 116(4) . . . . ?
O11 Ni3 O9 Ni2 53.3(5) . . . . ?
O11 Ni3 O9 Si4 -91.1(6) . . . . ?
O11 Ni1 O13 C17 -89.3(4) 3 . . . ?
O11 Ni1 O13 C20 45.1(3) 3 . . . ?
O11 Ni1 O10 Ni2 -135.95(13) 3 . . . ?
O11 Ni1 O10 Si5 12.9(3) 3 . . . ?
O11 Si6 O3 Si5 13.9(4) 3 . . . ?
O11 Si6 O2 Si1 4.1(4) 3 . . . ?
O11 Si6 C61 C66 135.2(4) 3 . . . ?
O11 Si6 C61 C62 -41.0(5) 3 . . . ?
O18 C50 C49 O17 -58.6(8) . . . . ?
O17 C48 C47 O18 58.9(9) . . . . ?
O21 C37 C38 O20 58.7(7) . . . . ?
O20 C39 C40 O21 -59.5(8) . . . . ?
N1 Ni3 O8 Ni1 129.49(15) . . . 3 ?
N1 Ni3 O8 Si3 -81.6(3) . . . . ?
N1 Ni3 O12 Ni2 126.33(15) . . . . ?
N1 Ni3 O12 Si1 -84.8(3) . . . 3 ?
N1 Ni3 O11 Ni1 -126.36(15) . . . 3 ?
N1 Ni3 O11 Si6 86.0(3) . . . 3 ?
N1 Ni3 O9 Ni2 -131.36(15) . . . . ?
N1 Ni3 O9 Si4 84.3(3) . . . . ?
O9 Ni2 Ni3 Ni1 -113.50(13) . . . 3 ?
O9 Ni2 Ni3 O8 -61.77(17) . . . . ?
O9 Ni2 Ni3 O12 134.43(19) . . . . ?
O9 Ni2 Ni3 O11 -164.88(17) . . . . ?
O9 Ni2 Ni3 N1 63.24(19) . . . . ?
O9 Ni2 Ni1 Ni3 58.91(13) . . . 3 ?
O9 Ni2 Ni1 O8 113.64(17) . . . 3 ?
O9 Ni2 Ni1 O7 171.62(19) . . . 3 ?
O9 Ni2 Ni1 O13 -123.07(17) . . . . ?
O9 Ni2 Ni1 O11 3.54(18) . . . 3 ?
O9 Ni2 Ni1 O10 -56.27(19) . . . . ?
O9 Ni2 Cl0A Ni2 91.0(14) . . . 3 ?
O9 Ni2 O12 Ni3 -31.31(13) . . . . ?
O9 Ni2 O12 Si1 180.0(3) . . . 3 ?
O9 Ni2 O15 C27 132.0(4) . . . . ?
O9 Ni2 O15 C30 -12.7(4) . . . . ?
O9 Ni2 O10 Ni1 139.30(13) . . . . ?
O9 Ni2 O10 Si5 -9.2(3) . . . . ?
O9 Ni3 O8 Ni1 -133.23(13) . . . 3 ?
O9 Ni3 O8 Si3 15.7(3) . . . . ?
O9 Ni3 O12 Ni2 31.02(13) . . . . ?
O9 Ni3 O12 Si1 179.9(3) . . . 3 ?
O9 Ni3 O11 Ni1 49.0(5) . . . 3 ?
O9 Ni3 O11 Si6 -98.7(5) . . . 3 ?
O9 Ni3 N1 C1 -63(4) . . . . ?
O9 Si4 O4 Si5 8.0(4) . . . . ?
O9 Si4 O5 Si3 1.9(4) . . . . ?
O9 Si4 C41 C42 37.8(5) . . . . ?
O9 Si4 C41 C46 -145.0(4) . . . . ?
O10 Ni2 Ni3 Ni1 -57.94(13) . . . 3 ?
O10 Ni2 Ni3 O8 -6.21(17) . . . . ?
O10 Ni2 Ni3 O12 -170.01(19) . . . . ?
O10 Ni2 Ni3 O11 -109.32(17) . . . . ?
O10 Ni2 Ni3 N1 118.80(19) . . . . ?
O10 Ni2 Ni3 O9 55.56(18) . . . . ?
O10 Ni2 Ni1 Ni3 115.18(14) . . . 3 ?
O10 Ni2 Ni1 O8 169.92(18) . . . 3 ?
O10 Ni2 Ni1 O7 -132.1(2) . . . 3 ?
O10 Ni2 Ni1 O13 -66.79(18) . . . . ?
O10 Ni2 Ni1 O11 59.81(18) . . . 3 ?
O10 Ni2 Cl0A Ni2 -170.8(14) . . . 3 ?
O10 Ni2 O12 Ni3 63.3(10) . . . . ?
O10 Ni2 O12 Si1 -85.4(10) . . . 3 ?
O10 Ni2 O15 C27 33.0(4) . . . . ?
O10 Ni2 O15 C30 -111.7(4) . . . . ?
O10 Ni2 O9 Ni3 -140.69(13) . . . . ?
O10 Ni2 O9 Si4 4.9(3) . . . . ?
O10 Ni1 O13 C17 9.3(4) . . . . ?
O10 Ni1 O13 C20 143.7(3) . . . . ?
O10 Si5 O3 Si6 -13.3(4) . . . . ?
O10 Si5 O4 Si4 -11.2(4) . . . . ?
O10 Si5 C51 C52 77.3(5) . . . . ?
O10 Si5 C51 C56 -101.8(5) . . . . ?
C31 Si3 O6 Si2 134.1(4) . . . . ?
C31 Si3 O8 Ni3 107.8(3) . . . . ?
C31 Si3 O8 Ni1 -114.6(3) . . . 3 ?
C31 Si3 O5 Si4 -123.2(3) . . . . ?
C31 C36 C35 C34 -1.6(11) . . . . ?
C31 C32 C33 C34 0.0(10) . . . . ?
C11 Si1 O1 Si2 -122.5(3) . . . . ?
C11 Si1 O2 Si6 120.5(3) . . . . ?
C11 C16 C15 C14 -0.9(9) . . . . ?
C11 C12 C13 C14 1.4(10) . . . . ?
C61 Si6 O3 Si5 135.5(3) . . . . ?
C61 Si6 O2 Si1 -118.0(3) . . . . ?
C61 C66 C65 C64 -1.2(10) . . . . ?
C61 C62 C63 C64 -1.6(9) . . . . ?
C41 Si4 O4 Si5 -116.4(3) . . . . ?
C41 Si4 O5 Si3 125.5(3) . . . . ?
C41 Si4 O9 Ni2 115.9(3) . . . . ?
C41 Si4 O9 Ni3 -112.8(3) . . . . ?
C41 C42 C43 C44 2.9(9) . . . . ?
C41 C46 C45 C44 0.4(10) . . . . ?
C21 Si2 O1 Si1 115.9(3) . . . . ?
C21 Si2 O6 Si3 -128.8(4) . . . . ?
C21 Si2 O7 Ni2 -107.0(3) . . . 3 ?
C21 Si2 O7 Ni1 110.5(3) . . . 3 ?
C51 Si5 O3 Si6 -136.4(3) . . . . ?
C51 Si5 O4 Si4 111.1(3) . . . . ?
C51 Si5 O10 Ni2 -107.0(3) . . . . ?
C51 Si5 O10 Ni1 116.4(3) . . . . ?
C51 C52 C53 C54 -0.5(9) . . . . ?
C51 C56 C55 C54 0.0(9) . . . . ?
C27 O15 C30 C29 56.0(6) . . . . ?
C2 C3 C4 C5 0.8(9) . . . . ?
C17 O13 C20 C19 -60.3(6) . . . . ?
C52 C51 C56 C55 -0.2(8) . . . . ?
C1 C2 C3 C4 176.7(5) . . . . ?
C1 C2 C7 C6 -177.8(5) . . . . ?
C42 C41 C46 C45 1.8(9) . . . . ?
C42 C43 C44 C45 -0.6(9) . . . . ?
O28 Na1 O26 C57 -143.2(10) 3_455 . . . ?
O28 Na1 O26 C57 36.8(10) . . . . ?
O28 Na1 O26 C60 -4.8(9) 3_455 . . . ?
O28 Na1 O26 C60 175.2(9) . . . . ?
O28 Na1 O26 C70 34.4(10) 3_455 . . . ?
O28 Na1 O26 C70 -145.6(10) . . . . ?
O28 Na1 O26 C67 165.9(6) 3_455 . . . ?
O28 Na1 O26 C67 -14.1(6) . . . . ?
O28 Na1 O22 C77 -120.6(7) . . . . ?
O28 Na1 O22 C77 59.4(7) 3_455 . . . ?
O28 Na1 O22 C87 21.5(5) . . . . ?
O28 Na1 O22 C87 -158.5(5) 3_455 . . . ?
O28 Na1 O23 C79 132.6(6) 3_455 . . . ?
O28 Na1 O23 C79 -47.4(6) . . . . ?
O28 Na1 O23 C89 -50.6(7) 3_455 . . . ?
O28 Na1 O23 C89 129.4(7) . . . . ?
C20 O13 C17 C18 58.9(6) . . . . ?
C66 C61 C62 C63 1.1(8) . . . . ?
C62 C61 C66 C65 0.3(9) . . . . ?
C3 C2 C1 N1 -46(23) . . . . ?
C3 C2 C7 C6 0.1(8) . . . . ?
C3 C4 C5 C6 0.6(9) . . . . ?
C18 O14 C19 C20 -57.0(6) . . . . ?
O26 Na1 O26 C57 72(11) 3_455 . . . ?
O26 Na1 O26 C60 -149(10) 3_455 . . . ?
O26 Na1 O26 C70 -110(11) 3_455 . . . ?
O26 Na1 O26 C67 21(10) 3_455 . . . ?
O26 Na1 O22 C77 145.1(7) . . . . ?
O26 Na1 O22 C77 -34.9(7) 3_455 . . . ?
O26 Na1 O22 C87 107.3(5) 3_455 . . . ?
O26 Na1 O22 C87 -72.7(5) . . . . ?
O26 Na1 O23 C79 -141.1(6) . . . . ?
O26 Na1 O23 C79 38.9(6) 3_455 . . . ?
O26 Na1 O23 C89 35.8(7) . . . . ?
O26 Na1 O23 C89 -144.2(7) 3_455 . . . ?
O26 C60 C59 O27 -7(3) . . . . ?
O26 C70 C69 O27 5(2) . . . . ?
O26 C67 C68 O27 20(2) . . . . ?
C36 C31 C32 C33 -1.6(9) . . . . ?
C36 C35 C34 C33 -0.1(12) . . . . ?
C46 C41 C42 C43 -3.4(8) . . . . ?
C46 C45 C44 C43 -1.0(10) . . . . ?
C30 O15 C27 C28 -58.1(5) . . . . ?
C4 C5 C6 C7 -1.8(9) . . . . ?
C5 C6 C7 C2 1.4(8) . . . . ?
C56 C51 C52 C53 0.5(8) . . . . ?
C16 C11 C12 C13 -2.0(9) . . . . ?
C53 C54 C55 C56 0.0(10) . . . . ?
C7 C2 C1 N1 132(23) . . . . ?
C7 C2 C3 C4 -1.2(9) . . . . ?
C28 O16 C29 C30 58.5(6) . . . . ?
C55 C54 C53 C52 0.2(10) . . . . ?
O27 C58 C57 O26 -39(2) . . . . ?
C29 O16 C28 C27 -60.3(6) . . . . ?
C26 C21 C22 C23 0.1(8) . . . . ?
C26 C25 C24 C23 -1.1(9) . . . . ?
C19 O14 C18 C17 55.5(6) . . . . ?
C32 C31 C36 C35 2.4(10) . . . . ?
C32 C33 C34 C35 0.9(11) . . . . ?
C12 C11 C16 C15 1.8(8) . . . . ?
C65 C64 C63 C62 0.7(10) . . . . ?
C13 C14 C15 C16 0.2(10) . . . . ?
C63 C64 C65 C66 0.6(10) . . . . ?
C22 C21 C26 C25 -1.6(8) . . . . ?
C22 C23 C24 C25 -0.3(9) . . . . ?
C24 C25 C26 C21 2.1(9) . . . . ?
C24 C23 C22 C21 0.8(9) . . . . ?
C37 O21 C40 C39 58.3(7) . . . . ?
C39 O20 C38 C37 -58.3(7) . . . . ?
C50 O18 C47 C48 -57.0(8) . . . . ?
C15 C14 C13 C12 -0.4(10) . . . . ?
C49 O17 C48 C47 -58.2(8) . . . . ?
C40 O21 C37 C38 -57.6(7) . . . . ?
C38 O20 C39 C40 58.6(7) . . . . ?
C48 O17 C49 C50 57.5(8) . . . . ?
C47 O18 C50 C49 57.3(8) . . . . ?
C8 O19 C9 C8 57.4(7) . . . 3_565 ?
C9 O19 C8 C9 -57.9(7) . . . 3_565 ?
C58 O27 C59 C60 35(2) . . . . ?
C58 O27 C69 C70 -15(2) . . . . ?
C58 O27 C68 C67 -110(4) . . . . ?
C57 O26 C60 C59 -36(2) . . . . ?
C57 O26 C70 C69 -11(2) . . . . ?
C57 O26 C67 C68 60.8(16) . . . . ?
C60 O26 C57 C58 61.5(18) . . . . ?
C60 O26 C70 C69 -85(2) . . . . ?
C60 O26 C67 C68 -11.5(17) . . . . ?
C59 O27 C58 C57 -9.9(17) . . . . ?
C59 O27 C69 C70 67.8(19) . . . . ?
C59 O27 C68 C67 -21(2) . . . . ?
C70 O26 C57 C58 29(2) . . . . ?
C70 O26 C60 C59 79(2) . . . . ?
C70 O26 C67 C68 -44.7(16) . . . . ?
C69 O27 C58 C57 31.0(18) . . . . ?
C69 O27 C59 C60 -81(2) . . . . ?
C69 O27 C68 C67 20(2) . . . . ?
C67 O26 C57 C58 -61.0(16) . . . . ?
C67 O26 C60 C59 6(2) . . . . ?
C67 O26 C70 C69 34.6(19) . . . . ?
C68 O27 C58 C57 88(4) . . . . ?
C68 O27 C59 C60 13(2) . . . . ?
C68 O27 C69 C70 -32.5(19) . . . . ?
O22 Na1 O26 C57 125.8(10) . . . . ?
O22 Na1 O26 C57 -54.2(10) 3_455 . . . ?
O22 Na1 O26 C60 -95.8(10) . . . . ?
O22 Na1 O26 C60 84.2(10) 3_455 . . . ?
O22 Na1 O26 C70 -56.6(10) . . . . ?
O22 Na1 O26 C70 123.4(10) 3_455 . . . ?
O22 Na1 O26 C67 -105.1(7) 3_455 . . . ?
O22 Na1 O26 C67 74.9(7) . . . . ?
O22 Na1 O22 C77 107.8(15) 3_455 . . . ?
O22 Na1 O22 C87 -110.0(15) 3_455 . . . ?
O22 Na1 O23 C79 -24(2) 3_455 . . . ?
O22 Na1 O23 C79 156(2) . . . . ?
O22 Na1 O23 C89 -27.2(18) . . . . ?
O22 Na1 O23 C89 152.8(18) 3_455 . . . ?
O22 C77 C78 O24 -57.4 . . . . ?
O24 C88 C87 O22 59.1 . . . . ?
C77 O22 C87 C88 -58.6 . . . . ?
C78 O24 C88 C87 -58.5 . . . . ?
C88 O24 C78 C77 57.6 . . . . ?
C87 O22 C77 C78 58.2 . . . . ?
O25 C80 C79 O23 -59.0 . . . . ?
O23 Na1 O26 C57 -64.6(14) 3_455 . . . ?
O23 Na1 O26 C57 115.4(10) . . . . ?
O23 Na1 O26 C60 73.7(14) 3_455 . . . ?
O23 Na1 O26 C60 -106.3(10) . . . . ?
O23 Na1 O26 C70 113.0(14) 3_455 . . . ?
O23 Na1 O26 C70 -67.0(10) . . . . ?
O23 Na1 O26 C67 64.4(7) . . . . ?
O23 Na1 O26 C67 -115.6(12) 3_455 . . . ?
O23 Na1 O22 C77 -98(2) . . . . ?
O23 Na1 O22 C77 82(5) 3_455 . . . ?
O23 Na1 O22 C87 -136(5) 3_455 . . . ?
O23 Na1 O22 C87 44.4(19) . . . . ?
O23 Na1 O23 C79 -19(100) 3_455 . . . ?
O23 Na1 O23 C89 158(100) 3_455 . . . ?
O23 C89 C90 O25 61.2 . . . . ?
C80 O25 C90 C89 -59.1 . . . . ?
C79 O23 C89 C90 -58.5 . . . . ?
C89 O23 C79 C80 57.6 . . . . ?
C90 O25 C80 C79 58.5 . . . . ?

