#------------------------------------------------------------------------------
#$Date: 2019-11-24 16:33:42 +0200 (Sun, 24 Nov 2019) $
#$Revision: 238587 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/77/7237757.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_7237757
loop_
_publ_author_name
'Minato, Takuo'
'Ohata, Yusuke'
'Ishii, Kazuyuki'
'Yamaguchi, Kazuya'
'Mizuno, Noritaka'
'Suzuki, Kosuke'
_publ_section_title
;
 Exploring orientationally aligned anisotropic large spin molecules with
 unusual long-distance intermolecular ferromagnetic interactions
;
_journal_issue                   41
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              12918
_journal_paper_doi               10.1039/C9TC00740G
_journal_volume                  7
_journal_year                    2019
_chemical_formula_sum            'C124 Cl12 N7 O70 Si2 V W18'
_chemical_formula_weight         6549.13
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   none
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2018-01-19 deposited with the CCDC.	2019-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                107.0720(10)
_cell_angle_beta                 91.9510(10)
_cell_angle_gamma                97.900(2)
_cell_formula_units_Z            1
_cell_length_a                   14.6894(4)
_cell_length_b                   18.7501(3)
_cell_length_c                   19.1270(5)
_cell_measurement_reflns_used    23958
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      29.459
_cell_measurement_theta_min      1.117
_cell_volume                     4972.8(2)
_computing_cell_refinement       HKL2000
_computing_data_collection       'Rigaku CrystalClear'
_computing_data_reduction        HKL2000
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  CCD
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_unetI/netI     0.0716
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_number            27132
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         29.459
_diffrn_reflns_theta_min         1.117
_exptl_absorpt_coefficient_mu    10.650
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.759
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL2000 DENZO SCALEPACK'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.187
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2940
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         4.328
_refine_diff_density_min         -6.603
_refine_diff_density_rms         0.790
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     692
_refine_ls_number_reflns         27132
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.1482
_refine_ls_R_factor_gt           0.0954
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1423P)²+147.7839P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2542
_refine_ls_wR_factor_ref         0.2986
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18098
_reflns_number_total             27132
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9tc00740g2.cif
_cod_data_source_block           I
_cod_database_code               7237757
_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.
;
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
N1 N 0.0513(13) 0.9744(11) 0.2240(10) 0.051(4) Uiso 1 1 d . . .
C111 C -0.0033(18) 1.0174(15) 0.1830(15) 0.063(6) Uiso 1 1 d . . .
C112 C 0.049(3) 1.041(2) 0.123(2) 0.106(12) Uiso 1 1 d . . .
C113 C -0.018(3) 1.099(2) 0.101(2) 0.108(12) Uiso 1 1 d . . .
C114 C 0.014(5) 1.141(4) 0.053(4) 0.18(2) Uiso 1 1 d . . .
C121 C 0.0676(18) 0.9020(14) 0.1710(14) 0.060(6) Uiso 1 1 d . . .
C122 C -0.010(2) 0.8478(17) 0.1252(17) 0.073(7) Uiso 1 1 d . . .
C123 C 0.017(3) 0.778(2) 0.075(2) 0.108(12) Uiso 1 1 d . . .
C124 C -0.063(3) 0.726(2) 0.025(2) 0.109(12) Uiso 1 1 d . . .
C131 C -0.0122(18) 0.9536(15) 0.2774(15) 0.063(6) Uiso 1 1 d . . .
C132 C 0.028(2) 0.9019(19) 0.3204(19) 0.085(9) Uiso 1 1 d . . .
C133 C -0.031(3) 0.914(2) 0.392(3) 0.115(13) Uiso 1 1 d . . .
C134 C -0.005(3) 0.845(3) 0.424(3) 0.123(14) Uiso 1 1 d . . .
C141 C 0.1401(19) 1.0184(16) 0.2599(15) 0.066(7) Uiso 1 1 d . . .
C142 C 0.1288(17) 1.0945(14) 0.3171(14) 0.058(6) Uiso 1 1 d . . .
C143 C 0.2296(19) 1.1382(16) 0.3502(15) 0.066(7) Uiso 1 1 d . . .
C144 C 0.227(2) 1.213(2) 0.413(2) 0.090(10) Uiso 1 1 d . . .
N2 N 0.2777(14) 0.6731(12) -0.3212(12) 0.060(5) Uiso 1 1 d . . .
C211 C 0.258(2) 0.6901(19) -0.2358(19) 0.085(9) Uiso 1 1 d . . .
C212 C 0.170(3) 0.646(2) -0.220(2) 0.095(10) Uiso 1 1 d . . .
C213 C 0.170(2) 0.6581(16) -0.1396(16) 0.069(7) Uiso 1 1 d . . .
C214 C 0.083(4) 0.620(3) -0.119(3) 0.17(2) Uiso 1 1 d . . .
C221 C 0.208(3) 0.700(2) -0.366(2) 0.094(10) Uiso 1 1 d . . .
C222 C 0.206(4) 0.779(4) -0.331(3) 0.16(2) Uiso 1 1 d . . .
C223 C 0.127(4) 0.806(3) -0.365(3) 0.154(19) Uiso 1 1 d . . .
C224 C 0.131(5) 0.876(4) -0.370(4) 0.18(2) Uiso 1 1 d . . .
C231 C 0.276(3) 0.594(2) -0.356(2) 0.095(10) Uiso 1 1 d . . .
C232 C 0.307(4) 0.574(3) -0.434(3) 0.136(16) Uiso 1 1 d . . .
C233 C 0.293(4) 0.486(3) -0.466(3) 0.148(18) Uiso 1 1 d . . .
C234 C 0.321(3) 0.459(3) -0.542(3) 0.121(14) Uiso 1 1 d . . .
C241 C 0.3738(19) 0.7204(16) -0.3198(16) 0.067(7) Uiso 1 1 d . . .
C242 C 0.453(2) 0.6906(19) -0.2996(19) 0.083(9) Uiso 1 1 d . . .
C243 C 0.547(2) 0.7421(16) -0.2988(16) 0.068(7) Uiso 1 1 d . . .
C244 C 0.627(2) 0.7082(18) -0.2796(18) 0.078(8) Uiso 1 1 d . . .
N3 N 0.2867(12) 0.4829(10) 0.1394(10) 0.044(4) Uiso 1 1 d . . .
C311 C 0.2427(18) 0.4055(15) 0.1460(15) 0.061(6) Uiso 1 1 d . . .
C312 C 0.206(2) 0.4091(16) 0.2194(16) 0.070(7) Uiso 1 1 d . . .
C313 C 0.156(2) 0.3274(19) 0.2132(19) 0.084(9) Uiso 1 1 d . . .
C314 C 0.114(3) 0.329(2) 0.288(2) 0.105(12) Uiso 1 1 d . . .
C321 C 0.3705(15) 0.5170(12) 0.1942(12) 0.049(5) Uiso 1 1 d . . .
C322 C 0.4454(15) 0.4710(13) 0.1914(13) 0.050(5) Uiso 1 1 d . . .
C323 C 0.530(2) 0.5130(17) 0.2386(17) 0.072(7) Uiso 1 1 d . . .
C324 C 0.504(2) 0.533(2) 0.319(2) 0.089(9) Uiso 1 1 d . . .
C331 C 0.3183(17) 0.4644(14) 0.0576(14) 0.057(6) Uiso 1 1 d . . .
C332 C 0.3693(14) 0.5313(12) 0.0398(12) 0.045(5) Uiso 1 1 d . . .
C333 C 0.3771(16) 0.5094(14) -0.0432(13) 0.055(5) Uiso 1 1 d . . .
C334 C 0.2864(19) 0.5032(16) -0.0871(16) 0.068(7) Uiso 1 1 d . . .
C341 C 0.2207(16) 0.5411(13) 0.1556(13) 0.050(5) Uiso 1 1 d . . .
C342 C 0.1330(18) 0.5229(15) 0.1051(15) 0.061(6) Uiso 1 1 d . . .
C343 C 0.065(2) 0.5782(17) 0.1418(17) 0.072(7) Uiso 1 1 d . . .
C344 C -0.014(3) 0.574(3) 0.088(3) 0.125(15) Uiso 1 1 d . . .
N4 N 0.5000 1.0000 0.5000 0.173(6) Uiso 1 2 d DS U P
C411 C 0.481(4) 1.056(2) 0.462(3) 0.173(6) Uiso 1 1 d D U .
C412 C 0.498(4) 1.136(3) 0.514(3) 0.173(6) Uiso 1 1 d D U .
C413 C 0.490(4) 1.217(3) 0.555(3) 0.173(7) Uiso 1 1 d D U .
C414 C 0.488(4) 1.272(3) 0.510(3) 0.173(7) Uiso 1 1 d D U .
C421 C 0.410(4) 0.952(4) 0.458(4) 0.173(6) Uiso 1 1 d . U .
C422 C 0.330(4) 0.974(4) 0.518(4) 0.173(6) Uiso 1 1 d . U .
C423 C 0.297(5) 1.059(4) 0.541(4) 0.173(7) Uiso 1 1 d . U .
C424 C 0.213(5) 1.022(4) 0.497(4) 0.173(7) Uiso 1 1 d . U .
O1 O 0.4238(8) 1.0683(6) 0.0612(6) 0.027(2) Uani 1 1 d . . .
O2 O 0.3887(8) 0.9454(6) -0.0640(7) 0.031(2) Uani 1 1 d . . .
O3 O 0.5552(10) 0.7802(7) -0.1044(7) 0.041(3) Uani 1 1 d . . .
O4 O 0.7097(8) 0.7862(7) -0.0100(7) 0.037(3) Uani 1 1 d . . .
O5 O 0.7675(8) 0.9793(7) 0.1854(7) 0.034(3) Uani 1 1 d . . .
O6 O 0.6495(9) 1.0893(7) 0.2075(7) 0.038(3) Uani 1 1 d . . .
O7 O 0.2934(9) 1.0975(8) 0.1629(8) 0.043(3) Uani 1 1 d . . .
O8 O 0.2219(10) 0.8511(7) -0.0895(8) 0.048(3) Uani 1 1 d . . .
O9 O 0.4188(8) 0.6551(7) -0.1296(7) 0.037(3) Uani 1 1 d . . .
O10 O 0.7072(9) 0.6820(7) 0.0685(7) 0.038(3) Uani 1 1 d . . .
O11 O 0.7699(9) 0.8957(8) 0.2833(8) 0.044(3) Uani 1 1 d . . .
O12 O 0.5541(10) 1.1169(8) 0.3361(7) 0.045(3) Uani 1 1 d . . .
O13 O 0.2769(8) 0.9631(6) 0.0458(7) 0.033(3) Uani 1 1 d . . .
O14 O 0.3886(8) 0.8054(7) -0.0638(7) 0.033(3) Uani 1 1 d . . .
O15 O 0.5574(8) 0.6836(7) -0.0202(7) 0.032(3) Uani 1 1 d . . .
O16 O 0.6948(9) 0.8314(8) 0.1381(8) 0.042(3) Uani 1 1 d . . .
O17 O 0.6493(8) 0.9962(7) 0.2929(6) 0.032(3) Uani 1 1 d . . .
O18 O 0.4646(9) 1.0594(7) 0.1937(7) 0.033(3) Uani 1 1 d . . .
O19 O 0.4414(7) 0.9329(6) 0.0619(6) 0.027(2) Uani 1 1 d . . .
O20 O 0.5408(7) 0.8202(6) 0.0427(6) 0.026(2) Uani 1 1 d . . .
O21 O 0.5773(8) 0.9408(6) 0.1654(6) 0.030(2) Uani 1 1 d . . .
O22 O 0.4285(8) 0.8404(7) 0.1471(7) 0.034(3) Uani 1 1 d . . .
O23 O 0.3202(8) 0.9589(6) 0.1830(6) 0.029(2) Uani 1 1 d . . .
O24 O 0.2757(8) 0.8189(7) 0.0408(8) 0.039(3) Uani 1 1 d . . .
O25 O 0.3805(9) 0.7107(7) 0.0164(7) 0.036(3) Uani 1 1 d . . .
O26 O 0.5485(9) 0.7249(7) 0.1307(7) 0.037(3) Uani 1 1 d . . .
O27 O 0.5841(9) 0.8414(7) 0.2497(7) 0.037(3) Uani 1 1 d . . .
O28 O 0.4586(9) 0.9730(8) 0.2801(7) 0.039(3) Uani 1 1 d . . .
O29 O 0.2594(8) 0.8178(8) 0.1810(7) 0.036(3) Uani 1 1 d . . .
O30 O 0.3658(9) 0.7061(7) 0.1559(7) 0.037(3) Uani 1 1 d . . .
O31 O 0.4049(9) 0.8252(7) 0.2768(7) 0.035(3) Uani 1 1 d . . .
O32 O 0.2776(11) 0.9257(9) 0.3148(8) 0.052(4) Uani 1 1 d . . .
O33 O 0.2041(9) 0.6798(9) 0.0666(8) 0.048(3) Uani 1 1 d . . .
O34 O 0.5003(10) 0.7025(10) 0.2644(11) 0.062(5) Uani 1 1 d . . .
Si1 Si 0.4988(3) 0.8839(2) 0.1038(2) 0.0266(9) Uani 1 1 d . . .
V1 V 0.5000 1.0000 0.0000 0.0264(7) Uani 1 2 d S . P
W1 W 0.35738(5) 1.02763(4) 0.12801(4) 0.03081(16) Uani 1 1 d . . .
W2 W 0.31314(5) 0.87720(4) -0.02354(5) 0.03852(19) Uani 1 1 d . . .
W3 W 0.46153(5) 0.72942(4) -0.05386(4) 0.03720(18) Uani 1 1 d . . .
W4 W 0.64006(7) 0.74629(5) 0.06073(5) 0.0569(3) Uani 1 1 d . . .
W5 W 0.68576(7) 0.90889(5) 0.22694(5) 0.0495(2) Uani 1 1 d . . .
W6 W 0.55428(6) 1.04093(5) 0.25801(5) 0.0502(2) Uani 1 1 d . . .
W7 W 0.34766(6) 0.89841(4) 0.24408(4) 0.03965(19) Uani 1 1 d . . .
W8 W 0.30077(5) 0.74957(5) 0.09369(4) 0.0409(2) Uani 1 1 d . . .
W9 W 0.48095(5) 0.76184(5) 0.21220(6) 0.0460(2) Uani 1 1 d . . .
O1W O 0.7819(10) 0.9343(8) 0.0404(8) 0.046(3) Uiso 1 1 d . . .
Cl11 Cl -0.0323(19) 0.6139(16) 0.5178(15) 0.264(11) Uiso 1 1 d . . .
Cl12 Cl 0.0026(16) 0.5088(13) 0.3532(13) 0.225(9) Uiso 1 1 d . . .
C11 C -0.008(4) 0.649(3) 0.443(3) 0.148(19) Uiso 1 1 d . . .
C12 C -0.021(5) 0.603(4) 0.373(4) 0.18(2) Uiso 1 1 d . . .
Cl21 Cl 0.2518(9) 1.3150(7) 0.6184(7) 0.130(4) Uiso 1 1 d . . .
Cl22 Cl 0.1249(9) 1.2949(7) 0.7562(7) 0.128(4) Uiso 1 1 d . . .
C21 C 0.277(3) 1.266(2) 0.684(2) 0.111(12) Uiso 1 1 d . . .
C22 C 0.250(3) 1.299(2) 0.756(2) 0.105(12) Uiso 1 1 d . . .
Cl31 Cl 0.2502(10) 0.6200(8) 0.3661(8) 0.144(4) Uiso 1 1 d D . .
Cl32 Cl 0.237(2) 0.773(2) 0.460(2) 0.334(16) Uiso 1 1 d D . .
C31 C 0.285(3) 0.7020(19) 0.339(3) 0.134(16) Uiso 1 1 d D . .
C32 C 0.216(4) 0.758(4) 0.363(2) 0.21(3) Uiso 1 1 d 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'
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'
V V 0.3005 0.5294 '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'
Cl Cl 0.1484 0.1585 '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
C141 N1 C121 109.4(19) . .
C141 N1 C131 113(2) . .
C121 N1 C131 106.5(19) . .
C141 N1 C111 113.0(19) . .
C121 N1 C111 109.2(19) . .
C131 N1 C111 105.8(18) . .
C112 C111 N1 114(2) . .
C111 C112 C113 102(3) . .
C114 C113 C112 120(4) . .
C122 C121 N1 121(2) . .
C121 C122 C123 114(3) . .
C122 C123 C124 113(3) . .
N1 C131 C132 114(2) . .
C131 C132 C133 104(3) . .
C132 C133 C134 101(3) . .
N1 C141 C142 112(2) . .
C141 C142 C143 108(2) . .
C144 C143 C142 112(2) . .
C231 N2 C221 107(3) . .
C231 N2 C241 113(2) . .
C221 N2 C241 108(2) . .
C231 N2 C211 111(2) . .
C221 N2 C211 113(2) . .
C241 N2 C211 104(2) . .
C212 C211 N2 116(3) . .
C213 C212 C211 109(3) . .
C212 C213 C214 112(3) . .
C222 C221 N2 109(4) . .
C221 C222 C223 111(5) . .
C224 C223 C222 123(6) . .
N2 C231 C232 115(3) . .
C231 C232 C233 108(4) . .
C234 C233 C232 113(5) . .
C242 C241 N2 117(2) . .
C241 C242 C243 113(3) . .
C244 C243 C242 112(2) . .
C321 N3 C341 106.0(16) . .
C321 N3 C311 111.1(17) . .
C341 N3 C311 112.6(17) . .
C321 N3 C331 109.7(16) . .
C341 N3 C331 112.9(16) . .
C311 N3 C331 104.5(17) . .
C312 C311 N3 114(2) . .
C311 C312 C313 107(2) . .
C312 C313 C314 109(3) . .
C322 C321 N3 117.3(18) . .
C323 C322 C321 113(2) . .
C322 C323 C324 107(2) . .
C332 C331 N3 114.2(19) . .
C331 C332 C333 108.2(19) . .
C334 C333 C332 113(2) . .
C342 C341 N3 116.7(19) . .
C341 C342 C343 108(2) . .
C344 C343 C342 111(3) . .
C411 N4 C411 180.00(2) . 2_676
C411 N4 C421 86(3) . .
C411 N4 C421 94(3) 2_676 .
C411 N4 C421 94(3) . 2_676
C411 N4 C421 86(3) 2_676 2_676
C421 N4 C421 179.999(11) . 2_676
N4 C411 C412 111(4) . .
N4 C411 C421 44(2) . 2_676
C412 C411 C421 78(4) . 2_676
C411 C412 C413 164(6) . .
C414 C413 C412 118(5) . .
N4 C421 C422 103(4) . .
N4 C421 C411 41.7(19) . 2_676
C422 C421 C411 97(4) . 2_676
C423 C422 C421 122(5) . .
C424 C423 C422 87(5) . .
W1 O1 V1 114.2(5) . .
W2 O2 V1 113.3(6) . .
W2 O13 W1 122.8(6) . .
W2 O14 W3 150.1(7) . .
W4 O15 W3 117.0(6) . .
W4 O16 W5 150.3(8) . .
W5 O17 W6 117.9(6) . .
W1 O18 W6 151.6(7) . .
Si1 O19 V1 125.3(6) . .
Si1 O19 W2 123.1(6) . .
V1 O19 W2 94.0(4) . .
Si1 O19 W1 121.8(6) . .
V1 O19 W1 93.0(4) . .
W2 O19 W1 90.6(4) . .
Si1 O20 W4 127.8(6) . .
Si1 O20 W3 126.7(6) . .
W4 O20 W3 93.8(4) . .
Si1 O21 W5 127.2(6) . .
Si1 O21 W6 126.5(6) . .
W5 O21 W6 95.1(4) . .
Si1 O22 W7 125.3(7) . .
Si1 O22 W8 125.8(7) . .
W7 O22 W8 92.0(4) . .
Si1 O22 W9 121.1(6) . .
W7 O22 W9 91.6(4) . .
W8 O22 W9 91.3(4) . .
W7 O23 W1 151.7(6) . .
W2 O24 W8 150.3(7) . .
W3 O25 W8 148.5(7) . .
W9 O26 W4 148.8(7) . .
W9 O27 W5 147.0(7) . .
W6 O28 W7 147.1(7) . .
W7 O29 W8 118.8(6) . .
W8 O30 W9 120.0(6) . .
W7 O31 W9 119.8(6) . .
O20 Si1 O22 107.2(6) . .
O20 Si1 O21 113.1(6) . .
O22 Si1 O21 106.8(6) . .
O20 Si1 O19 109.1(6) . .
O22 Si1 O19 109.9(6) . .
O21 Si1 O19 110.6(6) . .
O1 V1 O1 180.0 2_675 .
O1 V1 O2 90.7(5) 2_675 .
O1 V1 O2 89.3(5) . .
O1 V1 O2 89.3(5) 2_675 2_675
O1 V1 O2 90.7(5) . 2_675
O2 V1 O2 180.0 . 2_675
O1 V1 O19 79.3(4) 2_675 2_675
O1 V1 O19 100.7(4) . 2_675
O2 V1 O19 100.9(5) . 2_675
O2 V1 O19 79.1(5) 2_675 2_675
O1 V1 O19 100.7(4) 2_675 .
O1 V1 O19 79.3(4) . .
O2 V1 O19 79.1(5) . .
O2 V1 O19 100.9(5) 2_675 .
O19 V1 O19 180.0(5) 2_675 .
O7 W1 O18 101.9(6) . .
O7 W1 O1 100.0(5) . .
O18 W1 O1 88.3(5) . .
O7 W1 O13 101.4(6) . .
O18 W1 O13 156.7(5) . .
O1 W1 O13 88.2(5) . .
O7 W1 O23 101.4(6) . .
O18 W1 O23 85.6(5) . .
O1 W1 O23 158.5(5) . .
O13 W1 O23 89.3(5) . .
O7 W1 O19 171.3(5) . .
O18 W1 O19 84.0(5) . .
O1 W1 O19 73.5(4) . .
O13 W1 O19 73.0(4) . .
O23 W1 O19 85.4(4) . .
O8 W2 O14 101.2(6) . .
O8 W2 O13 101.6(6) . .
O14 W2 O13 157.2(5) . .
O8 W2 O24 102.5(6) . .
O14 W2 O24 87.4(5) . .
O13 W2 O24 88.4(5) . .
O8 W2 O2 97.8(6) . .
O14 W2 O2 87.5(5) . .
O13 W2 O2 88.6(5) . .
O24 W2 O2 159.6(5) . .
O8 W2 O19 170.0(5) . .
O14 W2 O19 83.7(5) . .
O13 W2 O19 73.6(4) . .
O24 W2 O19 86.3(5) . .
O2 W2 O19 73.6(4) . .
O9 W3 O25 100.6(6) . .
O9 W3 O15 97.6(5) . .
O25 W3 O15 93.4(5) . .
O9 W3 O14 101.2(5) . .
O25 W3 O14 87.5(5) . .
O15 W3 O14 160.6(5) . .
O9 W3 O3 96.5(6) . .
O25 W3 O3 162.3(5) . .
O15 W3 O3 89.0(6) . .
O14 W3 O3 84.6(5) . .
O9 W3 O20 170.3(5) . .
O25 W3 O20 85.0(5) . .
O15 W3 O20 74.0(4) . .
O14 W3 O20 86.8(5) . .
O3 W3 O20 78.8(5) . .
O10 W4 O16 100.7(6) . .
O10 W4 O15 98.7(5) . .
O16 W4 O15 160.5(5) . .
O10 W4 O4 98.5(6) . .
O16 W4 O4 90.0(6) . .
O15 W4 O4 88.0(5) . .
O10 W4 O26 96.0(6) . .
O16 W4 O26 87.4(5) . .
O15 W4 O26 89.8(5) . .
O4 W4 O26 165.4(5) . .
O10 W4 O20 173.7(5) . .
O16 W4 O20 85.4(5) . .
O15 W4 O20 75.2(4) . .
O4 W4 O20 83.0(5) . .
O26 W4 O20 82.5(4) . .
O11 W5 O17 98.2(6) . .
O11 W5 O16 101.6(6) . .
O17 W5 O16 159.9(5) . .
O11 W5 O27 97.4(6) . .
O17 W5 O27 92.3(5) . .
O16 W5 O27 88.6(6) . .
O11 W5 O5 96.2(6) . .
O17 W5 O5 87.5(5) . .
O16 W5 O5 87.0(5) . .
O27 W5 O5 166.4(5) . .
O11 W5 O21 172.3(6) . .
O17 W5 O21 74.2(5) . .
O16 W5 O21 85.9(5) . .
O27 W5 O21 84.6(5) . .
O5 W5 O21 82.2(5) . .
O12 W6 O18 101.4(6) . .
O12 W6 O28 97.8(6) . .
O18 W6 O28 87.1(5) . .
O12 W6 O17 97.9(6) . .
O18 W6 O17 160.6(5) . .
O28 W6 O17 92.6(5) . .
O12 W6 O6 98.2(6) . .
O18 W6 O6 87.0(5) . .
O28 W6 O6 163.8(5) . .
O17 W6 O6 88.0(5) . .
O12 W6 O21 170.3(6) . .
O18 W6 O21 87.8(5) . .
O28 W6 O21 85.4(5) . .
O17 W6 O21 72.8(4) . .
O6 W6 O21 79.3(5) . .
O32 W7 O23 102.1(6) . .
O32 W7 O29 96.8(7) . .
O23 W7 O29 87.6(5) . .
O32 W7 O31 99.2(6) . .
O23 W7 O31 158.7(5) . .
O29 W7 O31 89.8(5) . .
O32 W7 O28 101.2(7) . .
O23 W7 O28 85.8(5) . .
O29 W7 O28 161.8(5) . .
O31 W7 O28 90.1(5) . .
O32 W7 O22 169.8(6) . .
O23 W7 O22 83.9(5) . .
O29 W7 O22 75.0(5) . .
O31 W7 O22 75.0(5) . .
O28 W7 O22 87.4(5) . .
O33 W8 O30 98.4(6) . .
O33 W8 O24 102.2(6) . .
O30 W8 O24 159.4(5) . .
O33 W8 O25 100.2(6) . .
O30 W8 O25 88.8(5) . .
O24 W8 O25 86.3(5) . .
O33 W8 O29 100.7(6) . .
O30 W8 O29 89.2(5) . .
O24 W8 O29 88.2(5) . .
O25 W8 O29 159.1(5) . .
O33 W8 O22 171.5(5) . .
O30 W8 O22 75.2(5) . .
O24 W8 O22 84.5(5) . .
O25 W8 O22 85.3(5) . .
O29 W8 O22 74.0(5) . .
O34 W9 O26 101.4(7) . .
O34 W9 O27 100.3(7) . .
O26 W9 O27 87.2(5) . .
O34 W9 O31 99.2(7) . .
O26 W9 O31 159.4(5) . .
O27 W9 O31 88.2(5) . .
O34 W9 O30 99.9(7) . .
O26 W9 O30 90.7(5) . .
O27 W9 O30 159.7(5) . .
O31 W9 O30 86.7(5) . .
O34 W9 O22 170.2(6) . .
O26 W9 O22 86.1(5) . .
O27 W9 O22 86.2(5) . .
O31 W9 O22 73.6(5) . .
O30 W9 O22 73.5(5) . .
C12 C11 Cl11 121(5) . .
C11 C12 Cl12 120(6) . .
C22 C21 Cl21 114(3) . .
C21 C22 Cl22 112(3) . .
C32 C31 Cl31 110(4) . .
C31 C32 Cl32 96(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C141 1.47(3) .
N1 C121 1.49(3) .
N1 C131 1.50(3) .
N1 C111 1.55(3) .
C111 C112 1.54(5) .
C112 C113 1.69(6) .
C113 C114 1.42(7) .
C121 C122 1.48(4) .
C122 C123 1.50(5) .
C123 C124 1.52(6) .
C131 C132 1.59(4) .
C132 C133 1.61(5) .
C133 C134 1.66(6) .
C141 C142 1.56(4) .
C142 C143 1.60(4) .
C143 C144 1.57(4) .
N2 C231 1.43(4) .
N2 C221 1.54(4) .
N2 C241 1.56(3) .
N2 C211 1.61(4) .
C211 C212 1.53(5) .
C212 C213 1.48(5) .
C213 C214 1.50(6) .
C221 C222 1.45(7) .
C222 C223 1.53(8) .
C223 C224 1.33(8) .
C231 C232 1.54(6) .
C232 C233 1.56(7) .
C233 C234 1.49(7) .
C241 C242 1.45(4) .
C242 C243 1.58(4) .
C243 C244 1.49(4) .
N3 C321 1.52(3) .
N3 C341 1.53(3) .
N3 C311 1.55(3) .
N3 C331 1.60(3) .
C311 C312 1.50(4) .
C312 C313 1.58(4) .
C313 C314 1.58(5) .
C321 C322 1.48(3) .
C322 C323 1.48(4) .
C323 C324 1.55(4) .
C331 C332 1.50(3) .
C332 C333 1.53(3) .
C333 C334 1.52(4) .
C341 C342 1.52(3) .
C342 C343 1.57(4) .
C343 C344 1.49(5) .
N4 C411 1.483(19) .
N4 C411 1.483(19) 2_676
N4 C421 1.55(6) .
N4 C421 1.55(6) 2_676
C411 C412 1.52(2) .
C411 C421 2.22(8) 2_676
C412 C413 1.52(2) .
C413 C414 1.52(2) .
C421 C422 1.68(8) .
C421 C411 2.22(8) 2_676
C422 C423 1.66(8) .
C423 C424 1.42(8) .
O1 W1 1.903(10) .
O1 V1 1.967(11) .
O2 W2 1.928(12) .
O2 V1 1.971(11) .
O3 W3 2.000(12) .
O4 W4 1.979(12) .
O5 W5 2.015(12) .
O6 W6 1.993(12) .
O7 W1 1.707(13) .
O8 W2 1.723(14) .
O9 W3 1.717(13) .
O10 W4 1.694(13) .
O11 W5 1.703(13) .
O12 W6 1.735(14) .
O13 W2 1.915(12) .
O13 W1 1.923(12) .
O14 W2 1.869(12) .
O14 W3 1.943(11) .
O15 W4 1.915(12) .
O15 W3 1.931(11) .
O16 W4 1.888(14) .
O16 W5 1.907(14) .
O17 W5 1.906(12) .
O17 W6 1.920(12) .
O18 W1 1.893(13) .
O18 W6 1.905(12) .
O19 Si1 1.672(11) .
O19 V1 2.090(10) .
O19 W2 2.357(11) .
O19 W1 2.380(11) .
O20 Si1 1.614(12) .
O20 W4 2.228(10) .
O20 W3 2.264(11) .
O21 Si1 1.640(12) .
O21 W5 2.197(11) .
O21 W6 2.245(12) .
O22 Si1 1.626(12) .
O22 W7 2.314(13) .
O22 W8 2.331(12) .
O22 W9 2.374(11) .
O23 W7 1.919(11) .
O23 W1 1.926(11) .
O24 W2 1.919(14) .
O24 W8 1.930(13) .
O25 W3 1.901(13) .
O25 W8 1.952(14) .
O26 W9 1.886(13) .
O26 W4 2.012(13) .
O27 W9 1.927(13) .
O27 W5 1.967(12) .
O28 W6 1.908(13) .
O28 W7 1.954(13) .
O29 W7 1.925(13) .
O29 W8 1.956(12) .
O30 W8 1.923(13) .
O30 W9 1.960(13) .
O31 W7 1.942(12) .
O31 W9 1.945(12) .
O32 W7 1.728(14) .
O33 W8 1.744(14) .
O34 W9 1.743(15) .
V1 O1 1.967(11) 2_675
V1 O2 1.971(11) 2_675
V1 O19 2.090(10) 2_675
Cl11 C11 1.77(6) .
Cl12 C12 1.78(7) .
C11 C12 1.35(8) .
Cl21 C21 1.81(4) .
Cl22 C22 1.82(4) .
C21 C22 1.43(5) .
Cl31 C31 1.778(19) .
Cl32 C32 1.79(2) .
C31 C32 1.54(2) .
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_4
C141 N1 C111 C112 58(3) . .
C121 N1 C111 C112 -64(3) . .
C131 N1 C111 C112 -178(2) . .
N1 C111 C112 C113 -170(2) . .
C111 C112 C113 C114 172(4) . .
C141 N1 C121 C122 -178(2) . .
C131 N1 C121 C122 60(3) . .
C111 N1 C121 C122 -54(3) . .
N1 C121 C122 C123 -180(3) . .
C121 C122 C123 C124 -176(3) . .
C141 N1 C131 C132 -61(3) . .
C121 N1 C131 C132 58(3) . .
C111 N1 C131 C132 175(2) . .
N1 C131 C132 C133 160(2) . .
C131 C132 C133 C134 168(3) . .
C121 N1 C141 C142 -179(2) . .
C131 N1 C141 C142 -61(3) . .
C111 N1 C141 C142 59(3) . .
N1 C141 C142 C143 -178(2) . .
C141 C142 C143 C144 -176(2) . .
C231 N2 C211 C212 -54(4) . .
C221 N2 C211 C212 67(3) . .
C241 N2 C211 C212 -176(3) . .
N2 C211 C212 C213 170(3) . .
C211 C212 C213 C214 177(3) . .
C231 N2 C221 C222 179(4) . .
C241 N2 C221 C222 -59(4) . .
C211 N2 C221 C222 55(4) . .
N2 C221 C222 C223 -170(4) . .
C221 C222 C223 C224 -148(6) . .
C221 N2 C231 C232 64(4) . .
C241 N2 C231 C232 -55(4) . .
C211 N2 C231 C232 -172(3) . .
N2 C231 C232 C233 -175(4) . .
C231 C232 C233 C234 180(4) . .
C231 N2 C241 C242 -44(4) . .
C221 N2 C241 C242 -163(3) . .
C211 N2 C241 C242 76(3) . .
N2 C241 C242 C243 -179(2) . .
C241 C242 C243 C244 -178(3) . .
C321 N3 C311 C312 62(3) . .
C341 N3 C311 C312 -56(3) . .
C331 N3 C311 C312 -179(2) . .
N3 C311 C312 C313 174(2) . .
C311 C312 C313 C314 -178(3) . .
C341 N3 C321 C322 178.9(19) . .
C311 N3 C321 C322 56(2) . .
C331 N3 C321 C322 -59(2) . .
N3 C321 C322 C323 171(2) . .
C321 C322 C323 C324 64(3) . .
C321 N3 C331 C332 -57(2) . .
C341 N3 C331 C332 61(2) . .
C311 N3 C331 C332 -176.2(19) . .
N3 C331 C332 C333 -168.4(18) . .
C331 C332 C333 C334 73(2) . .
C321 N3 C341 C342 176.4(19) . .
C311 N3 C341 C342 -62(3) . .
C331 N3 C341 C342 56(2) . .
N3 C341 C342 C343 166(2) . .
C341 C342 C343 C344 168(3) . .
C421 N4 C411 C412 136(5) . .
C421 N4 C411 C412 -44(5) 2_676 .
C421 N4 C411 C421 180.000(13) . 2_676
N4 C411 C412 C413 -139(20) . .
C421 C411 C412 C413 -169(21) 2_676 .
C411 C412 C413 C414 -57(24) . .
C411 N4 C421 C422 -95(4) . .
C411 N4 C421 C422 85(4) 2_676 .
C411 N4 C421 C411 180.001(13) . 2_676
N4 C421 C422 C423 70(6) . .
C411 C421 C422 C423 112(5) 2_676 .
C421 C422 C423 C424 107(6) . .
W4 O20 Si1 O22 -70.2(9) . .
W3 O20 Si1 O22 63.0(8) . .
W4 O20 Si1 O21 47.3(9) . .
W3 O20 Si1 O21 -179.5(6) . .
W4 O20 Si1 O19 170.8(6) . .
W3 O20 Si1 O19 -56.0(8) . .
W7 O22 Si1 O20 178.2(7) . .
W8 O22 Si1 O20 -57.6(9) . .
W9 O22 Si1 O20 60.2(8) . .
W7 O22 Si1 O21 56.6(9) . .
W8 O22 Si1 O21 -179.2(7) . .
W9 O22 Si1 O21 -61.3(9) . .
W7 O22 Si1 O19 -63.4(9) . .
W8 O22 Si1 O19 60.8(9) . .
W9 O22 Si1 O19 178.7(6) . .
W5 O21 Si1 O20 -48.4(10) . .
W6 O21 Si1 O20 177.1(6) . .
W5 O21 Si1 O22 69.3(9) . .
W6 O21 Si1 O22 -65.2(9) . .
W5 O21 Si1 O19 -171.1(7) . .
W6 O21 Si1 O19 54.4(9) . .
V1 O19 Si1 O20 -63.6(9) . .
W2 O19 Si1 O20 60.6(8) . .
W1 O19 Si1 O20 175.4(6) . .
V1 O19 Si1 O22 179.1(7) . .
W2 O19 Si1 O22 -56.7(9) . .
W1 O19 Si1 O22 58.1(8) . .
V1 O19 Si1 O21 61.4(9) . .
W2 O19 Si1 O21 -174.4(6) . .
W1 O19 Si1 O21 -59.6(8) . .
W6 O18 W1 O7 129.3(14) . .
W6 O18 W1 O1 -130.8(15) . .
W6 O18 W1 O13 -49(2) . .
W6 O18 W1 O23 28.6(14) . .
W6 O18 W1 O19 -57.2(14) . .
W3 O14 W2 O8 -130.0(15) . .
W3 O14 W2 O13 52(2) . .
W3 O14 W2 O24 -27.7(15) . .
W3 O14 W2 O2 132.6(15) . .
W3 O14 W2 O19 58.8(14) . .
W5 O16 W4 O10 -122.5(15) . .
W5 O16 W4 O15 55(3) . .
W5 O16 W4 O4 138.8(15) . .
W5 O16 W4 O26 -26.9(15) . .
W5 O16 W4 O20 55.8(15) . .
W4 O26 W9 O34 -132.6(13) . .
W4 O26 W9 O27 -32.6(13) . .
W4 O26 W9 O31 45(2) . .
W4 O26 W9 O30 127.2(13) . .
W4 O26 W9 O22 53.8(13) . .
Cl11 C11 C12 Cl12 -37(8) . .
Cl21 C21 C22 Cl22 64(4) . .
Cl31 C31 C32 Cl32 63(4) . .
