#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/18/7101876.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7101876
loop_
_publ_author_name
'Zheng, Shou-Tian'
'Yuan, Da-Qiang'
'Jia, Hong-Peng'
'Zhang, Jie'
'Yang, Guo-Yu'
_publ_section_title
;
 Combination between lacunary polyoxometalates and high-nuclear
 transition metal clusters under hydrothermal conditions: I. from
 isolated cluster to 1-D chain.
;
_journal_issue                   18
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1858
_journal_page_last               1860
_journal_paper_doi               10.1039/b617191e
_journal_year                    2007
_chemical_formula_moiety
'2(C9 H45 N6 Ni6 O43 Si W9), (H12 O6 Ni), 8(H2 O)'
_chemical_formula_sum            'C18 H118 N12 Ni13 O100 Si2 W18'
_chemical_formula_weight         6231.95
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.0000(10)
_cell_angle_beta                 109.1170(10)
_cell_angle_gamma                90.0000(10)
_cell_formula_units_Z            2
_cell_length_a                   13.9166(10)
_cell_length_b                   24.2125(10)
_cell_length_c                   18.0515(10)
_cell_measurement_reflns_used    8250
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.0633
_cell_volume                     5747.1(6)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'mercury CCD'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_sigmaI/netI    0.0585
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            41855
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.24
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    20.135
_exptl_absorpt_correction_T_max  0.2011
_exptl_absorpt_correction_T_min  0.0095
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    3.601
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             5668
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         4.199
_refine_diff_density_min         -3.286
_refine_diff_density_rms         0.368
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         13003
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0628P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1109
_refine_ls_wR_factor_ref         0.1159
_reflns_number_gt                11412
_reflns_number_total             13003
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b617191e.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     -P2yn
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7101876
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.41155(8) 0.64758(4) 0.54902(6) 0.0243(2) Uani 1 1 d . . .
Ni2 Ni 0.41612(8) 0.74657(4) 0.44009(6) 0.0214(2) Uani 1 1 d . . .
Ni3 Ni 0.56403(8) 0.65125(4) 0.45673(6) 0.0206(2) Uani 1 1 d . . .
Ni4 Ni 0.43469(9) 0.85079(4) 0.34325(7) 0.0287(2) Uani 1 1 d . A .
Ni5 Ni 0.57510(8) 0.75010(4) 0.35640(6) 0.0225(2) Uani 1 1 d . . .
Ni6 Ni 0.73045(8) 0.65534(4) 0.37824(7) 0.0264(2) Uani 1 1 d . B .
Ni7 Ni 0.5000 0.5000 0.0000 0.0472(19) Uani 0.44 2 d SP . .
Ni7A Ni 0.4418(6) 0.4991(5) -0.0257(6) 0.058(2) Uani 0.28 1 d P . .
W1 W 0.40077(3) 0.776785(14) 0.168086(19) 0.02804(9) Uani 1 1 d . . .
W2 W 0.31029(3) 0.655858(14) 0.079465(19) 0.02727(9) Uani 1 1 d . . .
W3 W 0.56043(3) 0.669681(14) 0.186714(19) 0.02591(9) Uani 1 1 d . . .
W4 W 0.19110(3) 0.666496(14) 0.378517(19) 0.02458(9) Uani 1 1 d . . .
W5 W 0.20707(3) 0.775274(14) 0.26627(2) 0.02713(9) Uani 1 1 d . . .
W6 W 0.11708(3) 0.652828(15) 0.18086(2) 0.02789(9) Uani 1 1 d . . .
W7 W 0.54259(3) 0.550254(13) 0.310074(19) 0.02282(9) Uani 1 1 d . . .
W8 W 0.29547(3) 0.534579(13) 0.203160(18) 0.02463(9) Uani 1 1 d . . .
W9 W 0.36548(3) 0.549182(12) 0.399833(18) 0.02205(9) Uani 1 1 d . . .
Si1 Si 0.38288(16) 0.66663(8) 0.28934(12) 0.0185(4) Uani 1 1 d . . .
O1 O 0.6702(4) 0.7033(2) 0.4427(3) 0.0228(11) Uani 1 1 d . . .
H1F H 0.7162 0.7218 0.4890 0.027 Uiso 1 1 calc R . .
O2 O 0.5122(4) 0.6996(2) 0.5268(3) 0.0208(11) Uani 1 1 d . . .
H2D H 0.5619 0.7183 0.5710 0.025 Uiso 1 1 calc R . .
O3 O 0.5240(4) 0.7995(2) 0.4274(3) 0.0258(12) Uani 1 1 d . . .
H3E H 0.5734 0.8156 0.4744 0.031 Uiso 1 1 calc R . .
O4 O 0.6197(4) 0.6952(2) 0.2852(3) 0.0259(12) Uani 1 1 d . . .
O5 O 0.6082(4) 0.6024(2) 0.3806(3) 0.0247(12) Uani 1 1 d . . .
O6 O 0.4625(4) 0.6958(2) 0.3649(3) 0.0210(11) Uani 1 1 d . . .
O7 O 0.4467(4) 0.6003(2) 0.4642(3) 0.0254(12) Uani 1 1 d . . .
O8 O 0.4717(5) 0.7933(2) 0.2689(3) 0.0290(13) Uani 1 1 d . . .
O9 O 0.3098(4) 0.6906(2) 0.4494(3) 0.0229(11) Uani 1 1 d . . .
O10 O 0.3231(4) 0.7913(2) 0.3455(3) 0.0274(12) Uani 1 1 d . . .
O11 O 0.2472(4) 0.5941(2) 0.3793(3) 0.0242(12) Uani 1 1 d . . .
O12 O 0.1520(4) 0.7402(2) 0.3414(3) 0.0296(13) Uani 1 1 d . . .
O13 O 0.5507(4) 0.5968(2) 0.2245(3) 0.0264(12) Uani 1 1 d . . .
O14 O 0.4848(4) 0.5160(2) 0.3815(3) 0.0244(12) Uani 1 1 d . . .
O15 O 0.3211(5) 0.7329(2) 0.0730(3) 0.0330(14) Uani 1 1 d . . .
O16 O 0.4053(4) 0.6855(2) 0.2087(3) 0.0236(12) Uani 1 1 d . . .
O17 O 0.1165(5) 0.6554(3) 0.4359(4) 0.0358(15) Uani 1 1 d . . .
O18 O 0.2548(5) 0.6376(3) -0.0178(3) 0.0395(16) Uani 1 1 d . . .
O19 O 0.3178(5) 0.5847(2) 0.1274(3) 0.0315(13) Uani 1 1 d . . .
O20 O 0.1923(5) 0.6666(3) 0.1106(4) 0.0354(15) Uani 1 1 d . . .
O21 O 0.3929(4) 0.5990(2) 0.2962(3) 0.0218(11) Uani 1 1 d . . .
O22 O 0.6375(5) 0.5038(3) 0.3132(4) 0.0358(15) Uani 1 1 d . . .
O23 O 0.3431(5) 0.5022(2) 0.4642(3) 0.0314(14) Uani 1 1 d . . .
O24 O 0.1404(5) 0.8368(3) 0.2528(4) 0.0388(16) Uani 1 1 d . . .
O25 O 0.3987(6) 0.8389(3) 0.1225(4) 0.0412(16) Uani 1 1 d . . .
O26 O 0.4485(5) 0.6472(2) 0.0889(3) 0.0315(14) Uani 1 1 d . . .
O27 O 0.2652(4) 0.6837(2) 0.2801(3) 0.0222(11) Uani 1 1 d . . .
O28 O 0.5176(5) 0.7437(2) 0.1498(3) 0.0309(13) Uani 1 1 d . . .
O29 O -0.0011(5) 0.6354(3) 0.1152(4) 0.0423(17) Uani 1 1 d . . .
O30 O 0.1830(4) 0.5825(2) 0.1971(3) 0.0284(13) Uani 1 1 d . . .
O31 O 0.6599(5) 0.6615(3) 0.1521(4) 0.0397(16) Uani 1 1 d . . .
O32 O 0.2762(5) 0.7815(2) 0.1902(3) 0.0318(14) Uani 1 1 d . . .
O33 O 0.0899(4) 0.6439(3) 0.2760(4) 0.0320(14) Uani 1 1 d . . .
O34 O 0.4308(5) 0.5111(2) 0.2272(3) 0.0286(13) Uani 1 1 d . . .
O35 O 0.2911(4) 0.5093(2) 0.2995(3) 0.0253(12) Uani 1 1 d . . .
O36 O 0.2339(5) 0.4815(3) 0.1418(4) 0.0374(15) Uani 1 1 d . . .
O37 O 0.1020(5) 0.7308(3) 0.1876(4) 0.0332(14) Uani 1 1 d . . .
N1 N 0.2983(6) 0.6006(3) 0.5708(5) 0.0373(18) Uani 1 1 d . . .
H1A H 0.2432 0.5992 0.5273 0.045 Uiso 1 1 calc R . .
H1B H 0.3207 0.5659 0.5835 0.045 Uiso 1 1 calc R . .
N2 N 0.3890(7) 0.6988(3) 0.6326(5) 0.041(2) Uani 1 1 d . . .
H2A H 0.4381 0.6933 0.6789 0.049 Uiso 1 1 calc R . .
H2B H 0.3918 0.7343 0.6186 0.049 Uiso 1 1 calc R . .
N3 N 0.3506(7) 0.9026(3) 0.2528(5) 0.043(2) Uani 1 1 d . A .
H3A H 0.3201 0.8824 0.2096 0.051 Uiso 1 1 calc R . .
H3B H 0.3021 0.9198 0.2669 0.051 Uiso 1 1 calc R . .
N4 N 0.5502(7) 0.9055(3) 0.3450(6) 0.047(2) Uani 1 1 d . . .
H4A H 0.5969 0.8883 0.3286 0.057 Uiso 1 1 d R A .
H4B H 0.5810 0.9177 0.3942 0.057 Uiso 1 1 d R . .
N5 N 0.8326(7) 0.6184(4) 0.4716(5) 0.049(2) Uani 1 1 d D . .
H5A H 0.8028 0.6108 0.5078 0.059 Uiso 1 1 d R B .
H5B H 0.8844 0.6417 0.4932 0.059 Uiso 1 1 d R . .
N6 N 0.7900(6) 0.5991(3) 0.3164(5) 0.040(2) Uani 1 1 d D . .
H6A H 0.8094 0.6173 0.2802 0.048 Uiso 1 1 d R B .
H6B H 0.7420 0.5743 0.2916 0.048 Uiso 1 1 d R . .
C1 C 0.1751(12) 0.6080(6) 0.6489(11) 0.082(5) Uani 1 1 d . . .
H1C H 0.1673 0.6279 0.6926 0.124 Uiso 1 1 calc R . .
H1D H 0.1780 0.5691 0.6598 0.124 Uiso 1 1 calc R . .
H1E H 0.1182 0.6156 0.6028 0.124 Uiso 1 1 calc R . .
C2 C 0.2704(11) 0.6255(5) 0.6358(9) 0.066(4) Uani 1 1 d D . .
H2C H 0.3234 0.6118 0.6826 0.079 Uiso 1 1 calc R . .
C3 C 0.2883(12) 0.6870(5) 0.6402(9) 0.076(4) Uani 1 1 d DU . .
H3C H 0.2355 0.7052 0.5984 0.092 Uiso 1 1 calc R . .
H3D H 0.2858 0.7010 0.6899 0.092 Uiso 1 1 calc R . .
C4 C 0.571(8) 0.992(2) 0.316(4) 0.094(7) Uani 0.25(2) 1 d PDU A 1
H4C H 0.6430 0.9885 0.3410 0.141 Uiso 0.25(2) 1 d PR A 1
H4D H 0.5575 1.0206 0.2769 0.141 Uiso 0.25(2) 1 d PR A 1
H4E H 0.5391 1.0009 0.3539 0.141 Uiso 0.25(2) 1 d PR A 1
C5 C 0.5322(13) 0.9367(18) 0.276(3) 0.054(4) Uani 0.25(2) 1 d PDU A 1
H5 H 0.5687 0.9234 0.2412 0.065 Uiso 0.25(2) 1 calc PR A 1
C4A C 0.576(2) 0.9980(10) 0.2874(16) 0.094(7) Uani 0.75(2) 1 d P A 2
H4AA H 0.6305 1.0081 0.3339 0.141 Uiso 0.75(2) 1 d PR A 2
H4AB H 0.6033 0.9799 0.2514 0.141 Uiso 0.75(2) 1 d PR A 2
H4AC H 0.5399 1.0306 0.2633 0.141 Uiso 0.75(2) 1 d PR A 2
C5A C 0.5024(11) 0.9584(7) 0.3094(8) 0.054(4) Uani 0.75(2) 1 d PD A 2
H5C H 0.4739 0.9771 0.3456 0.065 Uiso 0.75(2) 1 calc PR A 2
C6 C 0.4179(9) 0.9435(5) 0.2357(6) 0.053(3) Uani 1 1 d D . .
H6C H 0.3828 0.9782 0.2246 0.064 Uiso 1 1 d R A .
H6D H 0.4321 0.9322 0.1894 0.064 Uiso 1 1 d R . .
C7 C 0.913(2) 0.5247(13) 0.5162(17) 0.102(8) Uani 0.542(15) 1 d PDU B 1
H7A H 0.8886 0.5246 0.5601 0.153 Uiso 0.542(15) 1 calc PR B 1
H7B H 0.9798 0.5407 0.5316 0.153 Uiso 0.542(15) 1 calc PR B 1
H7C H 0.9159 0.4875 0.4988 0.153 Uiso 0.542(15) 1 calc PR B 1
C8 C 0.8408(17) 0.5587(6) 0.4493(12) 0.054(4) Uani 0.542(15) 1 d PDU B 1
H8A H 0.7730 0.5421 0.4357 0.065 Uiso 0.542(15) 1 calc PR B 1
C9 C 0.8678(18) 0.5634(10) 0.3750(13) 0.065(6) Uani 0.542(15) 1 d PDU B 1
H9A H 0.9349 0.5796 0.3867 0.077 Uiso 0.542(15) 1 calc PR B 1
H9B H 0.8690 0.5269 0.3530 0.077 Uiso 0.542(15) 1 calc PR B 1
C7A C 0.847(3) 0.5220(14) 0.460(3) 0.102(8) Uani 0.458(15) 1 d PD B 2
H7AA H 0.8532 0.5183 0.5139 0.153 Uiso 0.458(15) 1 calc PR B 2
H7AB H 0.8811 0.4915 0.4446 0.153 Uiso 0.458(15) 1 calc PR B 2
H7AC H 0.7770 0.5222 0.4281 0.153 Uiso 0.458(15) 1 calc PR B 2
C8A C 0.897(2) 0.5762(10) 0.4477(14) 0.054(4) Uani 0.458(15) 1 d PD B 2
H8AA H 0.9676 0.5779 0.4834 0.065 Uiso 0.458(15) 1 calc PR B 2
C9A C 0.894(2) 0.5880(15) 0.3638(14) 0.065(6) Uani 0.458(15) 1 d PD B 2
H9AA H 0.9366 0.6197 0.3630 0.077 Uiso 0.458(15) 1 calc PR B 2
H9AB H 0.9199 0.5564 0.3430 0.077 Uiso 0.458(15) 1 calc PR B 2
OW1 O 0.5253(5) 0.5997(3) 0.6346(4) 0.0373(15) Uani 1 1 d . . .
OW2 O 0.3678(5) 0.7972(3) 0.5143(4) 0.0416(17) Uani 1 1 d . . .
OW3 O 0.6650(5) 0.6097(3) 0.5507(4) 0.0327(14) Uani 1 1 d . . .
OW4 O 0.3934(6) 0.8960(3) 0.4265(4) 0.0472(18) Uani 1 1 d . . .
OW5 O 0.6921(5) 0.8017(2) 0.3487(4) 0.0342(14) Uani 1 1 d . . .
OW6 O 0.8347(5) 0.7179(3) 0.3695(5) 0.0449(17) Uani 1 1 d . . .
OW7 O 0.533(4) 0.582(3) -0.016(4) 0.144(15) Uani 0.50 1 d PU . .
OW7A O 0.474(4) 0.584(3) -0.029(4) 0.144(15) Uani 0.50 1 d P . .
OW8 O 0.438(3) 0.4927(18) -0.106(2) 0.153(11) Uani 0.50 1 d PU . .
OW8A O 0.365(3) 0.4774(18) -0.132(2) 0.153(11) Uani 0.50 1 d P . .
OW9 O 0.368(4) 0.510(3) 0.022(4) 0.146(14) Uani 0.50 1 d PU . .
OW9A O 0.310(4) 0.503(3) -0.004(4) 0.146(14) Uani 0.50 1 d P . .
OW10 O 0.5069(6) 0.7681(4) -0.0055(5) 0.070(3) Uani 1 1 d . . .
OW11 O 0.1665(12) 0.8122(9) 0.4774(16) 0.118(9) Uani 0.84(4) 1 d PU C 1
OW1A O 0.190(7) 0.784(5) 0.535(9) 0.118(9) Uani 0.16(4) 1 d P C 2
OW12 O 0.5640(10) 0.9534(5) 0.5113(7) 0.103(4) Uani 1 1 d . . .
OW13 O 0.8900(10) 0.6893(6) 0.2432(8) 0.116(5) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O2 Ni1 N2 93.0(3) . .
O2 Ni1 N1 174.4(3) . .
N2 Ni1 N1 83.4(3) . .
O2 Ni1 O7 81.5(2) . .
N2 Ni1 O7 174.4(3) . .
N1 Ni1 O7 102.2(3) . .
O2 Ni1 OW1 94.8(2) . .
N2 Ni1 OW1 93.0(3) . .
N1 Ni1 OW1 89.7(3) . .
O7 Ni1 OW1 86.4(2) . .
O2 Ni1 O9 80.9(2) . .
N2 Ni1 O9 95.9(3) . .
N1 Ni1 O9 95.2(3) . .
O7 Ni1 O9 84.4(2) . .
OW1 Ni1 O9 170.3(2) . .
O2 Ni2 O3 96.6(2) . .
O2 Ni2 O9 83.0(2) . .
O3 Ni2 O9 177.2(2) . .
O2 Ni2 O10 175.4(2) . .
O3 Ni2 O10 82.2(2) . .
O9 Ni2 O10 98.0(2) . .
O2 Ni2 O6 84.6(2) . .
O3 Ni2 O6 84.3(2) . .
O9 Ni2 O6 92.9(2) . .
O10 Ni2 O6 90.8(2) . .
O2 Ni2 OW2 95.9(3) . .
O3 Ni2 OW2 96.2(3) . .
O9 Ni2 OW2 86.7(2) . .
O10 Ni2 OW2 88.7(3) . .
O6 Ni2 OW2 179.3(2) . .
O1 Ni3 O2 98.2(2) . .
O1 Ni3 O5 83.3(2) . .
O2 Ni3 O5 176.6(2) . .
O1 Ni3 OW3 94.5(2) . .
O2 Ni3 OW3 93.1(2) . .
O5 Ni3 OW3 89.8(2) . .
O1 Ni3 O7 175.8(2) . .
O2 Ni3 O7 81.7(2) . .
O5 Ni3 O7 96.6(2) . .
OW3 Ni3 O7 89.7(2) . .
O1 Ni3 O6 84.9(2) . .
O2 Ni3 O6 84.9(2) . .
O5 Ni3 O6 92.3(2) . .
OW3 Ni3 O6 177.7(2) . .
O7 Ni3 O6 91.0(2) . .
O3 Ni4 N4 95.6(3) . .
O3 Ni4 N3 175.9(3) . .
N4 Ni4 N3 82.1(4) . .
O3 Ni4 OW4 91.6(2) . .
N4 Ni4 OW4 92.8(4) . .
N3 Ni4 OW4 91.9(3) . .
O3 Ni4 O8 81.7(2) . .
N4 Ni4 O8 94.7(3) . .
N3 Ni4 O8 95.2(3) . .
OW4 Ni4 O8 170.4(3) . .
O3 Ni4 O10 81.0(2) . .
N4 Ni4 O10 176.5(3) . .
N3 Ni4 O10 101.3(3) . .
OW4 Ni4 O10 88.1(3) . .
O8 Ni4 O10 84.1(2) . .
O1 Ni5 O8 176.0(2) . .
O1 Ni5 O3 96.8(2) . .
O8 Ni5 O3 83.3(2) . .
O1 Ni5 O4 82.3(2) . .
O8 Ni5 O4 97.3(2) . .
O3 Ni5 O4 175.6(2) . .
O1 Ni5 O6 84.8(2) . .
O8 Ni5 O6 91.3(2) . .
O3 Ni5 O6 84.2(2) . .
O4 Ni5 O6 91.5(2) . .
O1 Ni5 OW5 93.4(2) . .
O8 Ni5 OW5 90.5(3) . .
O3 Ni5 OW5 97.5(2) . .
O4 Ni5 OW5 86.8(2) . .
O6 Ni5 OW5 177.6(2) . .
O1 Ni6 N5 94.9(3) . .
O1 Ni6 N6 174.7(3) . .
N5 Ni6 N6 82.2(3) . .
O1 Ni6 O4 82.1(2) . .
N5 Ni6 O4 176.9(3) . .
N6 Ni6 O4 100.7(3) . .
O1 Ni6 OW6 93.2(2) . .
N5 Ni6 OW6 93.8(4) . .
N6 Ni6 OW6 91.4(3) . .
O4 Ni6 OW6 87.3(3) . .
O1 Ni6 O5 81.3(2) . .
N5 Ni6 O5 93.7(3) . .
N6 Ni6 O5 94.4(3) . .
O4 Ni6 O5 84.9(2) . .
OW6 Ni6 O5 171.1(3) . .
OW8 Ni7 OW8 180.000(5) . 3_665
OW8 Ni7 OW9 94(2) . .
OW8 Ni7 OW9 86(2) 3_665 .
OW9 Ni7 OW9 180.000(3) 3_665 .
OW8 Ni7 OW7 90(2) . .
OW9 Ni7 OW7 80(2) 3_665 .
OW9 Ni7 OW7 100(2) . .
OW7 Ni7 OW7 180.000(7) 3_665 .
OW7A Ni7 OW7A 180.000(5) 3_665 .
Ni7 Ni7A OW8 106.4(19) . .
Ni7 Ni7A OW9 114(2) . .
OW8 Ni7A OW9 139(3) . .
OW8A Ni7A OW9A 88(2) . .
OW8 Ni7A OW7 102(3) . 3_665
OW9 Ni7A OW7 91(3) . 3_665
OW8A Ni7A OW7A 107(2) . .
OW9A Ni7A OW7A 100(2) . .
OW8 Ni7A OW7 90(2) . .
OW9 Ni7A OW7 105(3) . .
OW7 Ni7A OW7 139.0(14) 3_665 .
OW8A Ni7A OW7A 103(2) . 3_665
OW9A Ni7A OW7A 108(2) . 3_665
OW7A Ni7A OW7A 139.3(14) . 3_665
OW7 Ni7A OW7A 121(2) . 3_665
O25 W1 O8 102.0(3) . .
O25 W1 O32 100.0(3) . .
O8 W1 O32 90.6(3) . .
O25 W1 O28 99.5(3) . .
O8 W1 O28 92.9(3) . .
O32 W1 O28 159.0(2) . .
O25 W1 O15 97.8(3) . .
O8 W1 O15 160.2(2) . .
O32 W1 O15 85.7(3) . .
O28 W1 O15 84.0(3) . .
O25 W1 O16 169.4(3) . .
O8 W1 O16 86.7(2) . .
O32 W1 O16 85.7(2) . .
O28 W1 O16 73.9(2) . .
O15 W1 O16 73.6(2) . .
O18 W2 O15 102.1(3) . .
O18 W2 O26 99.6(3) . .
O15 W2 O26 91.0(3) . .
O18 W2 O19 99.7(3) . .
O15 W2 O19 158.1(2) . .
O26 W2 O19 87.5(3) . .
O18 W2 O20 101.1(3) . .
O15 W2 O20 88.7(3) . .
O26 W2 O20 158.9(3) . .
O19 W2 O20 85.1(3) . .
O18 W2 O16 172.4(3) . .
O15 W2 O16 74.4(2) . .
O26 W2 O16 73.9(2) . .
O19 W2 O16 84.1(2) . .
O20 W2 O16 85.8(2) . .
O31 W3 O4 103.7(3) . .
O31 W3 O13 100.6(3) . .
O4 W3 O13 91.5(2) . .
O31 W3 O28 100.1(3) . .
O4 W3 O28 90.7(2) . .
O13 W3 O28 157.9(3) . .
O31 W3 O26 97.8(3) . .
O4 W3 O26 158.5(3) . .
O13 W3 O26 86.4(2) . .
O28 W3 O26 83.5(2) . .
O31 W3 O16 168.7(3) . .
O4 W3 O16 85.8(2) . .
O13 W3 O16 85.1(2) . .
O28 W3 O16 73.2(2) . .
O26 W3 O16 72.6(2) . .
O17 W4 O9 102.4(3) . .
O17 W4 O11 100.3(3) . .
O9 W4 O11 90.8(2) . .
O17 W4 O12 101.4(3) . .
O9 W4 O12 92.0(2) . .
O11 W4 O12 157.0(2) . .
O17 W4 O33 97.7(3) . .
O9 W4 O33 159.9(3) . .
O11 W4 O33 85.3(2) . .
O12 W4 O33 84.1(2) . .
O17 W4 O27 169.3(3) . .
O9 W4 O27 87.3(2) . .
O11 W4 O27 83.7(2) . .
O12 W4 O27 73.6(2) . .
O33 W4 O27 72.6(2) . .
O24 W5 O10 103.0(3) . .
O24 W5 O32 101.7(3) . .
O10 W5 O32 91.3(3) . .
O24 W5 O12 99.1(3) . .
O10 W5 O12 89.8(3) . .
O32 W5 O12 158.4(2) . .
O24 W5 O37 97.5(3) . .
O10 W5 O37 159.3(2) . .
O32 W5 O37 87.4(3) . .
O12 W5 O37 84.1(3) . .
O24 W5 O27 168.4(3) . .
O10 W5 O27 86.1(2) . .
O32 W5 O27 85.1(2) . .
O12 W5 O27 73.5(2) . .
O37 W5 O27 73.2(2) . .
O29 W6 O33 99.6(3) . .
O29 W6 O37 100.7(3) . .
O33 W6 O37 89.8(3) . .
O29 W6 O30 100.8(3) . .
O33 W6 O30 89.3(3) . .
O37 W6 O30 158.4(2) . .
O29 W6 O20 101.0(3) . .
O33 W6 O20 159.4(3) . .
O37 W6 O20 88.0(3) . .
O30 W6 O20 85.3(3) . .
O29 W6 O27 171.8(3) . .
O33 W6 O27 74.5(2) . .
O37 W6 O27 74.1(2) . .
O30 W6 O27 84.9(2) . .
O20 W6 O27 85.2(2) . .
O22 W7 O5 103.1(3) . .
O22 W7 O14 100.5(3) . .
O5 W7 O14 93.1(2) . .
O22 W7 O13 99.2(3) . .
O5 W7 O13 90.4(2) . .
O14 W7 O13 158.6(2) . .
O22 W7 O34 96.6(3) . .
O5 W7 O34 160.3(2) . .
O14 W7 O34 84.4(2) . .
O13 W7 O34 85.1(2) . .
O22 W7 O21 169.0(3) . .
O5 W7 O21 87.1(2) . .
O14 W7 O21 74.6(2) . .
O13 W7 O21 84.5(2) . .
O34 W7 O21 73.3(2) . .
O36 W8 O35 101.1(3) . .
O36 W8 O34 99.9(3) . .
O35 W8 O34 91.2(3) . .
O36 W8 O30 100.9(3) . .
O35 W8 O30 88.6(2) . .
O34 W8 O30 158.9(2) . .
O36 W8 O19 100.1(3) . .
O35 W8 O19 158.5(2) . .
O34 W8 O19 88.4(3) . .
O30 W8 O19 84.1(3) . .
O36 W8 O21 173.1(3) . .
O35 W8 O21 74.9(2) . .
O34 W8 O21 74.8(2) . .
O30 W8 O21 84.8(2) . .
O19 W8 O21 84.3(2) . .
O23 W9 O7 103.3(3) . .
O23 W9 O11 99.9(3) . .
O7 W9 O11 93.0(2) . .
O23 W9 O14 101.1(3) . .
O7 W9 O14 90.2(2) . .
O11 W9 O14 157.4(2) . .
O23 W9 O35 97.9(3) . .
O7 W9 O35 158.6(2) . .
O11 W9 O35 86.6(2) . .
O14 W9 O35 82.3(2) . .
O23 W9 O21 169.3(2) . .
O7 W9 O21 86.0(2) . .
O11 W9 O21 84.7(2) . .
O14 W9 O21 73.2(2) . .
O35 W9 O21 72.6(2) . .
O6 Si1 O27 111.2(3) . .
O6 Si1 O21 110.8(3) . .
O27 Si1 O21 108.4(3) . .
O6 Si1 O16 110.4(3) . .
O27 Si1 O16 108.1(3) . .
O21 Si1 O16 107.8(3) . .
Ni6 O1 Ni3 100.0(2) . .
Ni6 O1 Ni5 99.7(2) . .
Ni3 O1 Ni5 97.2(2) . .
Ni6 O1 H1F 118.6 . .
Ni3 O1 H1F 118.6 . .
Ni5 O1 H1F 118.6 . .
Ni1 O2 Ni3 100.1(2) . .
Ni1 O2 Ni2 100.2(2) . .
Ni3 O2 Ni2 97.0(2) . .
Ni1 O2 H2D 118.5 . .
Ni3 O2 H2D 118.5 . .
Ni2 O2 H2D 118.5 . .
Ni4 O3 Ni5 98.1(2) . .
Ni4 O3 Ni2 100.0(3) . .
Ni5 O3 Ni2 97.1(2) . .
Ni4 O3 H3E 119.0 . .
Ni5 O3 H3E 119.0 . .
Ni2 O3 H3E 119.0 . .
W3 O4 Ni5 133.9(3) . .
W3 O4 Ni6 127.5(3) . .
Ni5 O4 Ni6 95.1(2) . .
W7 O5 Ni3 132.7(3) . .
W7 O5 Ni6 128.6(3) . .
Ni3 O5 Ni6 94.7(2) . .
Si1 O6 Ni2 122.4(3) . .
Si1 O6 Ni5 122.6(3) . .
Ni2 O6 Ni5 94.4(2) . .
Si1 O6 Ni3 122.9(3) . .
Ni2 O6 Ni3 93.5(2) . .
Ni5 O6 Ni3 93.1(2) . .
W9 O7 Ni3 134.3(3) . .
W9 O7 Ni1 126.5(3) . .
Ni3 O7 Ni1 95.7(2) . .
W1 O8 Ni5 132.8(3) . .
W1 O8 Ni4 128.2(3) . .
Ni5 O8 Ni4 95.9(2) . .
W4 O9 Ni2 131.7(3) . .
W4 O9 Ni1 128.8(3) . .
Ni2 O9 Ni1 95.3(2) . .
W5 O10 Ni2 133.7(3) . .
W5 O10 Ni4 126.6(3) . .
Ni2 O10 Ni4 96.1(2) . .
W9 O11 W4 147.9(3) . .
W4 O12 W5 120.9(3) . .
W3 O13 W7 147.9(3) . .
W7 O14 W9 119.9(3) . .
W2 O15 W1 120.3(3) . .
Si1 O16 W1 123.2(3) . .
Si1 O16 W3 123.6(3) . .
W1 O16 W3 91.93(19) . .
Si1 O16 W2 125.1(3) . .
W1 O16 W2 91.65(18) . .
W3 O16 W2 91.83(19) . .
W2 O19 W8 152.8(4) . .
W2 O20 W6 150.9(4) . .
Si1 O21 W7 124.2(3) . .
Si1 O21 W9 122.5(3) . .
W7 O21 W9 91.53(18) . .
Si1 O21 W8 126.0(3) . .
W7 O21 W8 91.49(18) . .
W9 O21 W8 91.23(18) . .
W2 O26 W3 121.6(3) . .
Si1 O27 W5 123.1(3) . .
Si1 O27 W4 123.0(3) . .
W5 O27 W4 91.51(19) . .
Si1 O27 W6 126.1(3) . .
W5 O27 W6 91.92(18) . .
W4 O27 W6 91.53(19) . .
W1 O28 W3 120.3(3) . .
W6 O30 W8 152.5(3) . .
W1 O32 W5 147.9(3) . .
W6 O33 W4 121.4(3) . .
W8 O34 W7 120.2(3) . .
W8 O35 W9 121.2(3) . .
W6 O37 W5 120.7(3) . .
C2 N1 Ni1 109.7(6) . .
C2 N1 H1A 109.7 . .
Ni1 N1 H1A 109.7 . .
C2 N1 H1B 109.7 . .
Ni1 N1 H1B 109.7 . .
H1A N1 H1B 108.2 . .
C3 N2 Ni1 109.2(7) . .
C3 N2 H2A 109.8 . .
Ni1 N2 H2A 109.8 . .
C3 N2 H2B 109.8 . .
Ni1 N2 H2B 109.8 . .
H2A N2 H2B 108.3 . .
C6 N3 Ni4 109.7(6) . .
C6 N3 H3A 109.7 . .
Ni4 N3 H3A 109.7 . .
C6 N3 H3B 109.7 . .
Ni4 N3 H3B 109.7 . .
H3A N3 H3B 108.2 . .
C5 N4 Ni4 114.6(12) . .
C5A N4 Ni4 107.9(8) . .
C5 N4 H4A 84.0 . .
C5A N4 H4A 121.7 . .
Ni4 N4 H4A 109.9 . .
C5 N4 H4B 125.9 . .
C5A N4 H4B 98.2 . .
Ni4 N4 H4B 109.9 . .
H4A N4 H4B 108.4 . .
C8 N5 Ni6 107.1(9) . .
C8A N5 Ni6 112.5(10) . .
C8 N5 H5A 95.3 . .
C8A N5 H5A 121.8 . .
Ni6 N5 H5A 109.3 . .
C8 N5 H5B 126.6 . .
C8A N5 H5B 94.6 . .
Ni6 N5 H5B 109.1 . .
H5A N5 H5B 108.0 . .
C9A N6 Ni6 107.5(13) . .
C9 N6 Ni6 108.4(11) . .
C9A N6 H6A 92.3 . .
C9 N6 H6A 118.2 . .
Ni6 N6 H6A 109.5 . .
C9A N6 H6B 127.4 . .
C9 N6 H6B 102.2 . .
Ni6 N6 H6B 109.8 . .
H6A N6 H6B 108.4 . .
C2 C1 H1C 109.5 . .
C2 C1 H1D 109.5 . .
H1C C1 H1D 109.5 . .
C2 C1 H1E 109.5 . .
H1C C1 H1E 109.5 . .
H1D C1 H1E 109.5 . .
N1 C2 C1 119.3(11) . .
N1 C2 C3 111.3(9) . .
C1 C2 C3 114.5(12) . .
N1 C2 H2C 103.1 . .
C1 C2 H2C 103.1 . .
C3 C2 H2C 103.1 . .
N2 C3 C2 109.3(10) . .
N2 C3 H3C 109.8 . .
C2 C3 H3C 109.8 . .
N2 C3 H3D 109.8 . .
C2 C3 H3D 109.8 . .
H3C C3 H3D 108.3 . .
C5 C4 H4C 107.5 . .
C5 C4 H4D 109.6 . .
H4C C4 H4D 109.5 . .
C5 C4 H4E 111.2 . .
H4C C4 H4E 109.5 . .
H4D C4 H4E 109.5 . .
C5 C4 H4AA 135.3 . .
H4D C4 H4AA 83.3 . .
H4E C4 H4AA 103.4 . .
C5 C4 H4AB 65.8 . .
H4C C4 H4AB 79.0 . .
H4D C4 H4AB 65.6 . .
H4E C4 H4AB 171.5 . .
H4AA C4 H4AB 83.3 . .
C5 C4 H4AC 107.8 . .
H4C C4 H4AC 117.1 . .
H4E C4 H4AC 103.7 . .
H4AA C4 H4AC 89.9 . .
H4AB C4 H4AC 70.7 . .
N4 C5 C6 110(3) . .
N4 C5 C4 97(4) . .
C6 C5 C4 106(4) . .
C6 C5 H4A 131.4 . .
C4 C5 H4A 108.7 . .
N4 C5 H5 114.2 . .
C6 C5 H5 114.2 . .
C4 C5 H5 114.2 . .
H4A C5 H5 80.2 . .
C5A C4A H4C 94.8 . .
C5A C4A H4D 112.9 . .
H4C C4A H4D 126.8 . .
C5A C4A H4E 51.3 . .
H4C C4A H4E 73.6 . .
H4D C4A H4E 89.2 . .
C5A C4A H4AA 109.5 . .
H4D C4A H4AA 100.1 . .
H4E C4A H4AA 70.0 . .
C5A C4A H4AB 109.5 . .
H4C C4A H4AB 95.1 . .
H4D C4A H4AB 114.9 . .
H4E C4A H4AB 155.1 . .
H4AA C4A H4AB 109.5 . .
C5A C4A H4AC 109.5 . .
H4C C4A H4AC 136.2 . .
H4E C4A H4AC 93.4 . .
H4AA C4A H4AC 109.5 . .
H4AB C4A H4AC 109.5 . .
N4 C5A C6 106.4(11) . .
N4 C5A C4A 113.9(16) . .
C6 C5A C4A 108.3(15) . .
N4 C5A H4E 112.6 . .
C6 C5A H4E 140.5 . .
C4A C5A H4E 60.6 . .
N4 C5A H5C 109.4 . .
C6 C5A H5C 109.4 . .
C4A C5A H5C 109.4 . .
H4E C5A H5C 52.1 . .
N3 C6 C5A 110.2(10) . .
N3 C6 C5 117.8(18) . .
N3 C6 H6C 108.6 . .
C5A C6 H6C 99.8 . .
C5 C6 H6C 125.0 . .
N3 C6 H6D 108.7 . .
C5A C6 H6D 121.0 . .
C5 C6 H6D 84.5 . .
H6C C6 H6D 107.6 . .
C8 C7 H7A 109.5 . .
C8 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C8 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N5 C8 C9 103.1(16) . .
N5 C8 C7 113.0(18) . .
C9 C8 C7 117(2) . .
N5 C8 H8A 107.9 . .
C9 C8 H8A 107.9 . .
C7 C8 H8A 107.9 . .
N6 C9 C8 109.5(16) . .
N6 C9 H9A 109.8 . .
C8 C9 H9A 109.8 . .
N6 C9 H9B 109.8 . .
C8 C9 H9B 109.8 . .
H9A C9 H9B 108.2 . .
C8A C7A H7AA 109.5 . .
C8A C7A H7AB 109.5 . .
H7AA C7A H7AB 109.5 . .
C8A C7A H7AC 109.5 . .
H7AA C7A H7AC 109.5 . .
H7AB C7A H7AC 109.5 . .
N5 C8A C9A 109.2(19) . .
N5 C8A C7A 101(2) . .
C9A C8A C7A 116(3) . .
N5 C8A H8AA 110.0 . .
C9A C8A H8AA 110.0 . .
C7A C8A H8AA 110.0 . .
N6 C9A C8A 109(2) . .
N6 C9A H9AA 110.0 . .
C8A C9A H9AA 110.0 . .
N6 C9A H9AB 110.0 . .
C8A C9A H9AB 110.0 . .
H9AA C9A H9AB 108.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O2 2.020(6) .
Ni1 N2 2.055(7) .
Ni1 N1 2.083(8) .
Ni1 O7 2.094(6) .
Ni1 OW1 2.152(6) .
Ni1 O9 2.158(5) .
Ni2 O2 2.040(5) .
Ni2 O3 2.043(6) .
Ni2 O9 2.053(6) .
Ni2 O10 2.078(6) .
Ni2 O6 2.084(5) .
Ni2 OW2 2.083(6) .
Ni3 O1 2.020(6) .
Ni3 O2 2.021(5) .
Ni3 O5 2.054(6) .
Ni3 OW3 2.075(6) .
Ni3 O7 2.086(6) .
Ni3 O6 2.092(5) .
Ni4 O3 2.040(6) .
Ni4 N4 2.075(9) .
Ni4 N3 2.087(8) .
Ni4 OW4 2.087(7) .
Ni4 O8 2.112(6) .
Ni4 O10 2.129(6) .
Ni5 O1 2.028(5) .
Ni5 O8 2.042(6) .
Ni5 O3 2.043(6) .
Ni5 O4 2.081(6) .
Ni5 O6 2.089(6) .
Ni5 OW5 2.092(6) .
Ni6 O1 2.011(5) .
Ni6 N5 2.023(8) .
Ni6 N6 2.096(7) .
Ni6 O4 2.105(6) .
Ni6 OW6 2.139(7) .
Ni6 O5 2.142(6) .
Ni7 OW8 1.84(4) .
Ni7 OW9 2.01(5) .
Ni7 OW7A 2.11(7) .
Ni7A OW8A 1.94(4) .
Ni7A OW9A 2.00(5) .
Ni7A OW7 2.10(8) 3_665
W1 O25 1.711(6) .
W1 O8 1.808(6) .
W1 O32 1.906(7) .
W1 O28 1.936(7) .
W1 O15 2.014(6) .
W1 O16 2.323(5) .
W2 O18 1.729(6) .
W2 O15 1.878(6) .
W2 O26 1.886(6) .
W2 O19 1.916(6) .
W2 O20 1.919(7) .
W2 O16 2.384(5) .
W3 O31 1.706(7) .
W3 O4 1.805(6) .
W3 O13 1.913(6) .
W3 O28 1.937(6) .
W3 O26 2.010(6) .
W3 O16 2.350(6) .
W4 O17 1.710(7) .
W4 O9 1.823(5) .
W4 O11 1.917(5) .
W4 O12 1.920(6) .
W4 O33 2.000(6) .
W4 O27 2.365(5) .
W5 O24 1.729(6) .
W5 O10 1.814(6) .
W5 O32 1.923(6) .
W5 O12 1.958(6) .
W5 O37 1.989(6) .
W5 O27 2.345(5) .
W6 O29 1.736(6) .
W6 O33 1.887(6) .
W6 O37 1.908(6) .
W6 O30 1.911(6) .
W6 O20 1.920(7) .
W6 O27 2.367(5) .
W7 O22 1.722(6) .
W7 O5 1.813(5) .
W7 O14 1.918(6) .
W7 O13 1.945(6) .
W7 O34 2.008(5) .
W7 O21 2.336(5) .
W8 O36 1.729(6) .
W8 O35 1.864(6) .
W8 O34 1.878(6) .
W8 O30 1.923(6) .
W8 O19 1.928(6) .
W8 O21 2.368(5) .
W9 O23 1.725(6) .
W9 O7 1.816(6) .
W9 O11 1.905(6) .
W9 O14 1.968(6) .
W9 O35 2.013(5) .
W9 O21 2.360(5) .
Si1 O6 1.612(5) .
Si1 O27 1.643(6) .
Si1 O21 1.644(5) .
Si1 O16 1.651(6) .
O1 H1F 0.9800 .
O2 H2D 0.9800 .
O3 H3E 0.9800 .
N1 C2 1.481(14) .
N1 H1A 0.9000 .
N1 H1B 0.9000 .
N2 C3 1.481(16) .
N2 H2A 0.9000 .
N2 H2B 0.9000 .
N3 C6 1.463(14) .
N3 H3A 0.9000 .
N3 H3B 0.9000 .
N4 C5 1.41(5) .
N4 C5A 1.490(18) .
N4 H4A 0.8998 .
N4 H4B 0.8999 .
N5 C8 1.514(9) .
N5 C8A 1.51(2) .
N5 H5A 0.9011 .
N5 H5B 0.8992 .
N6 C9A 1.45(3) .
N6 C9 1.513(10) .
N6 H6A 0.8999 .
N6 H6B 0.9002 .
C1 C2 1.483(17) .
C1 H1C 0.9600 .
C1 H1D 0.9600 .
C1 H1E 0.9600 .
C2 C3 1.507(9) .
C2 H2C 0.9800 .
C3 H3C 0.9700 .
C3 H3D 0.9700 .
C4 C5 1.530(10) .
C4 H4C 0.9600 .
C4 H4D 0.9600 .
C4 H4E 0.9600 .
C5 C6 1.525(10) .
C5 H5 0.9800 .
C4A C5A 1.55(3) .
C4A H4AA 0.9599 .
C4A H4AB 0.9601 .
C4A H4AC 0.9600 .
C5A C6 1.504(9) .
C5A H5C 0.9800 .
C6 H6C 0.9601 .
C6 H6D 0.9600 .
C7 C8 1.534(10) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 C9 1.51(3) .
C8 H8A 0.9800 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C7A C8A 1.533(10) .
C7A H7AA 0.9600 .
C7A H7AB 0.9600 .
C7A H7AC 0.9600 .
C8A C9A 1.529(10) .
C8A H8AA 0.9800 .
C9A H9AA 0.9700 .
C9A H9AB 0.9700 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1F O15 0.98 2.05 3.016(8) 170.6 4_676
O2 H2D O37 0.98 2.34 3.233(8) 150.8 4_676
O3 H3E O20 0.98 2.51 3.468(8) 164.9 4_676
N1 H1A O17 0.90 2.40 3.171(11) 143.2 .
N1 H1B O22 0.90 2.44 3.217(10) 144.8 3_666
N2 H2B OW2 0.90 2.36 3.147(11) 146.3 .
N3 H3A O25 0.90 2.43 3.063(11) 127.6 .
N3 H3A O32 0.90 2.51 3.189(10) 132.2 .
N3 H3B O36 0.90 2.39 3.182(11) 146.2 2
N3 H3B O35 0.90 2.61 3.201(9) 124.2 2
N4 H4A OW5 0.90 2.44 3.183(11) 139.8 .
N4 H4B OW12 0.90 2.37 3.166(16) 147.9 .
N5 H5A OW3 0.90 2.29 3.116(12) 152.0 .
N5 H5B O25 0.90 2.32 2.774(10) 110.7 4_676
N6 H6A OW13 0.90 2.29 3.107(15) 151.3 .
N6 H6B O22 0.90 2.36 3.123(11) 143.0 .
N6 H6B O13 0.90 2.60 3.198(10) 125.0 .
