#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/84/1508452.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_1508452
loop_
_publ_author_name
'Ito, Takeru'
'Fujimoto, Nozomu'
'Uchida, Sayaka'
'Iijima, Jun'
'Naruke, Haruo'
'Mizuno, Noritaka'
_publ_section_title
;
 Polyoxotungstate-Surfactant Layered Crystal toward Conductive
 Inorganic-Organic Hybrid
;
_journal_issue                   2
_journal_name_full               Crystals
_journal_page_first              362
_journal_page_last               373
_journal_paper_doi               10.3390/cryst2020362
_journal_volume                  2
_journal_year                    2012
_chemical_formula_moiety         'W10 O32, 4(C21 H38 N)'
_chemical_formula_sum            'C84 H152 N4 O32 W10'
_chemical_formula_weight         3568.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.566(4)
_cell_angle_beta                 95.298(4)
_cell_angle_gamma                116.168(4)
_cell_formula_units_Z            1
_cell_length_a                   10.7727(12)
_cell_length_b                   11.3734(12)
_cell_length_c                   23.982(3)
_cell_measurement_reflns_used    10489
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.1
_cell_volume                     2566.1(5)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku)'
_computing_data_collection       'PROCESS-AUTO (Rigaku)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_ambient_temperature      213(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0635
_diffrn_reflns_av_sigmaI/netI    0.0540
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            41418
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    11.230
_exptl_absorpt_correction_T_max  0.8066
_exptl_absorpt_correction_T_min  0.1336
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.309
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.634
_refine_diff_density_min         -1.958
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     587
_refine_ls_number_reflns         11736
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0354
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0297P)²+3.0040P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0807
_refine_ls_wR_factor_ref         0.0842
_reflns_number_gt                10163
_reflns_number_total             11736
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file
W10O32-4C21H38N_P-1_crystals-15686-supplementary_crystals-02-00362-s001_DC190.cif
_cod_data_source_block           c16py_w10_chateigner_1508452
_cod_database_code               1508452
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
W1 W 0.29172(2) 0.22582(2) 0.152360(10) 0.02443(7) Uani 1 1 d .
W2 W 0.00175(2) 0.21613(2) 0.090712(10) 0.02298(6) Uani 1 1 d .
W3 W 0.00418(2) -0.05759(2) 0.115741(10) 0.02298(6) Uani 1 1 d .
W4 W 0.26016(2) -0.01098(2) 0.045623(10) 0.02431(7) Uani 1 1 d .
W5 W 0.25739(2) 0.26188(2) 0.019965(10) 0.02339(6) Uani 1 1 d .
O1 O 0.4114(4) 0.3187(4) 0.21312(18) 0.0337(10) Uani 1 1 d .
O2 O 0.1587(4) 0.2941(4) 0.15281(18) 0.0280(9) Uani 1 1 d .
O3 O 0.1580(4) 0.0744(4) 0.17526(18) 0.0294(9) Uani 1 1 d .
O4 O 0.3677(4) 0.1149(4) 0.11885(18) 0.0282(9) Uani 1 1 d .
O5 O 0.3644(4) 0.3347(4) 0.09738(17) 0.0260(9) Uani 1 1 d .
O6 O -0.0783(4) 0.3074(4) 0.11558(18) 0.0315(10) Uani 1 1 d .
O7 O -0.0782(4) 0.0620(4) 0.12291(17) 0.0256(9) Uani 1 1 d .
O8 O -0.0797(4) -0.1654(4) 0.15747(18) 0.0325(10) Uani 1 1 d .
O9 O 0.1331(4) -0.1182(4) 0.09029(17) 0.0260(9) Uani 1 1 d .
O10 O 0.3728(4) -0.0777(4) 0.04031(19) 0.0355(10) Uani 1 1 d .
O11 O 0.3364(4) 0.1393(4) 0.01054(17) 0.0262(9) Uani 1 1 d .
O12 O 0.3593(4) 0.3859(4) -0.01098(19) 0.0318(10) Uani 1 1 d .
O13 O 0.1277(4) 0.3215(3) 0.04574(17) 0.0238(8) Uani 1 1 d .
O14 O 0.1337(3) 0.1033(3) 0.06926(15) 0.0207(9) Uani 1 1 d .
O15 O -0.1191(4) -0.1514(4) 0.04557(17) 0.0254(9) Uani 1 1 d .
O16 O 0.1267(4) -0.1112(4) -0.02109(17) 0.0253(9) Uani 1 1 d .
N1 N 0.5223(5) 0.8922(5) 0.1433(2) 0.0294(11) Uani 1 1 d .
N2 N 0.7761(5) 0.4756(5) 0.1318(2) 0.0364(13) Uani 1 1 d .
C1 C 0.5582(7) 0.8032(7) 0.1169(3) 0.0392(16) Uani 1 1 d .
H1 H 0.6431 0.8333 0.1028 0.047 Uiso 1 1 calc R
C2 C 0.4732(8) 0.6684(7) 0.1101(3) 0.0458(18) Uani 1 1 d .
H2 H 0.4980 0.6061 0.0906 0.055 Uiso 1 1 calc R
C3 C 0.3509(8) 0.6255(7) 0.1321(3) 0.0454(17) Uani 1 1 d .
H3 H 0.2932 0.5336 0.1298 0.054 Uiso 1 1 calc R
C4 C 0.3148(7) 0.7189(7) 0.1576(3) 0.0453(17) Uani 1 1 d .
H4 H 0.2296 0.6910 0.1714 0.054 Uiso 1 1 calc R
C5 C 0.4014(6) 0.8527(7) 0.1631(3) 0.0377(16) Uani 1 1 d .
H5 H 0.3762 0.9165 0.1807 0.045 Uiso 1 1 calc R
C6 C 0.6203(6) 1.0370(6) 0.1515(3) 0.0367(15) Uani 1 1 d .
H6A H 0.5664 1.0875 0.1528 0.044 Uiso 1 1 calc R
H6B H 0.6690 1.0522 0.1187 0.044 Uiso 1 1 calc R
C7 C 0.7278(6) 1.0886(7) 0.2060(3) 0.0389(16) Uani 1 1 d .
H7A H 0.7954 1.1815 0.2069 0.047 Uiso 1 1 calc R
H7B H 0.7795 1.0359 0.2045 0.047 Uiso 1 1 calc R
C8 C 0.6705(7) 1.0845(7) 0.2619(3) 0.0385(15) Uani 1 1 d .
H8A H 0.6027 0.9915 0.2610 0.046 Uiso 1 1 calc R
H8B H 0.7483 1.1111 0.2935 0.046 Uiso 1 1 calc R
C9 C 0.6001(7) 1.1714(7) 0.2747(3) 0.0411(16) Uani 1 1 d .
H9A H 0.5166 1.1400 0.2453 0.049 Uiso 1 1 calc R
H9B H 0.6646 1.2636 0.2730 0.049 Uiso 1 1 calc R
C10 C 0.5569(8) 1.1706(7) 0.3329(3) 0.0466(18) Uani 1 1 d .
H10A H 0.4984 1.0774 0.3354 0.056 Uiso 1 1 calc R
H10B H 0.6417 1.2072 0.3623 0.056 Uiso 1 1 calc R
C11 C 0.4773(8) 1.2489(7) 0.3466(3) 0.0461(17) Uani 1 1 d .
H11A H 0.5342 1.3414 0.3429 0.055 Uiso 1 1 calc R
H11B H 0.3905 1.2102 0.3183 0.055 Uiso 1 1 calc R
C12 C 0.4404(7) 1.2508(7) 0.4056(3) 0.0450(17) Uani 1 1 d .
H12A H 0.3871 1.1580 0.4097 0.054 Uiso 1 1 calc R
H12B H 0.5277 1.2925 0.4338 0.054 Uiso 1 1 calc R
C13 C 0.3566(7) 1.3234(7) 0.4194(3) 0.0452(17) Uani 1 1 d .
H13A H 0.2690 1.2815 0.3913 0.054 Uiso 1 1 calc R
H13B H 0.4097 1.4162 0.4152 0.054 Uiso 1 1 calc R
C14 C 0.3208(7) 1.3250(7) 0.4783(3) 0.0430(17) Uani 1 1 d .
H14A H 0.4084 1.3665 0.5063 0.052 Uiso 1 1 calc R
H14B H 0.2676 1.2322 0.4824 0.052 Uiso 1 1 calc R
C15 C 0.2366(8) 1.3983(8) 0.4929(3) 0.0471(18) Uani 1 1 d .
H15A H 0.1485 1.3564 0.4652 0.057 Uiso 1 1 calc R
H15B H 0.2894 1.4911 0.4886 0.057 Uiso 1 1 calc R
C16 C 0.2022(8) 1.4001(7) 0.5526(3) 0.0462(18) Uani 1 1 d .
H16A H 0.1517 1.3076 0.5575 0.055 Uiso 1 1 calc R
H16B H 0.2901 1.4449 0.5806 0.055 Uiso 1 1 calc R
C17 C 0.1144(8) 1.4703(8) 0.5653(3) 0.0503(18) Uani 1 1 d .
H17A H 0.1652 1.5629 0.5606 0.060 Uiso 1 1 calc R
H17B H 0.0268 1.4258 0.5372 0.060 Uiso 1 1 calc R
C18 C 0.0788(8) 1.4721(7) 0.6246(3) 0.0463(17) Uani 1 1 d .
H18A H 0.1666 1.5136 0.6525 0.056 Uiso 1 1 calc R
H18B H 0.0256 1.3794 0.6287 0.056 Uiso 1 1 calc R
C19 C -0.0050(8) 1.5457(7) 0.6390(3) 0.0509(19) Uani 1 1 d .
H19A H 0.0496 1.6390 0.6359 0.061 Uiso 1 1 calc R
H19B H -0.0912 1.5059 0.6103 0.061 Uiso 1 1 calc R
C20 C -0.0449(9) 1.5451(8) 0.6972(3) 0.058(2) Uani 1 1 d .
H20A H 0.0410 1.5875 0.7261 0.069 Uiso 1 1 calc R
H20B H -0.0978 1.4520 0.7009 0.069 Uiso 1 1 calc R
C21 C -0.1325(10) 1.6168(9) 0.7096(4) 0.074(3) Uani 1 1 d .
H21A H -0.1541 1.6123 0.7478 0.089 Uiso 1 1 calc R
H21B H -0.2192 1.5741 0.6818 0.089 Uiso 1 1 calc R
H21C H -0.0802 1.7099 0.7070 0.089 Uiso 1 1 calc R
C22 C 0.8870(7) 0.5618(6) 0.1130(3) 0.0384(16) Uani 1 1 d .
H22 H 0.9582 0.6372 0.1389 0.046 Uiso 1 1 calc R
C23 C 0.8974(7) 0.5412(7) 0.0568(4) 0.0467(19) Uani 1 1 d .
H23 H 0.9753 0.6020 0.0437 0.056 Uiso 1 1 calc R
C24 C 0.7935(8) 0.4310(8) 0.0195(3) 0.0506(19) Uani 1 1 d .
H24 H 0.8003 0.4159 -0.0195 0.061 Uiso 1 1 calc R
C25 C 0.6807(7) 0.3434(7) 0.0382(4) 0.0473(19) Uani 1 1 d .
H25 H 0.6095 0.2671 0.0126 0.057 Uiso 1 1 calc R
C26 C 0.6727(7) 0.3685(7) 0.0955(3) 0.0436(17) Uani 1 1 d .
H26 H 0.5942 0.3101 0.1091 0.052 Uiso 1 1 calc R
C27 C 0.7643(8) 0.5022(8) 0.1927(3) 0.056(2) Uani 1 1 d .
H27A H 0.8588 0.5524 0.2159 0.067 Uiso 1 1 calc R
H27B H 0.7168 0.4167 0.2046 0.067 Uiso 1 1 calc R
C28 C 0.6838(6) 0.5809(6) 0.2034(3) 0.0352(15) Uani 1 1 d .
H28A H 0.5895 0.5310 0.1800 0.042 Uiso 1 1 calc R
H28B H 0.7317 0.6666 0.1918 0.042 Uiso 1 1 calc R
C29 C 0.6714(7) 0.6071(7) 0.2665(3) 0.0416(16) Uani 1 1 d .
H29A H 0.6334 0.5218 0.2791 0.050 Uiso 1 1 calc R
H29B H 0.7653 0.6650 0.2893 0.050 Uiso 1 1 calc R
C30 C 0.5789(7) 0.6720(7) 0.2774(3) 0.0437(17) Uani 1 1 d .
H30A H 0.4880 0.6184 0.2518 0.052 Uiso 1 1 calc R
H30B H 0.6218 0.7608 0.2680 0.052 Uiso 1 1 calc R
C31 C 0.5540(7) 0.6876(7) 0.3383(3) 0.0440(17) Uani 1 1 d .
H31A H 0.5110 0.5988 0.3477 0.053 Uiso 1 1 calc R
H31B H 0.6449 0.7412 0.3640 0.053 Uiso 1 1 calc R
C32 C 0.4613(8) 0.7528(7) 0.3493(3) 0.0466(18) Uani 1 1 d .
H32A H 0.3723 0.7020 0.3222 0.056 Uiso 1 1 calc R
H32B H 0.5068 0.8436 0.3420 0.056 Uiso 1 1 calc R
C33 C 0.4306(8) 0.7609(7) 0.4096(3) 0.0482(18) Uani 1 1 d .
H33A H 0.3844 0.6698 0.4166 0.058 Uiso 1 1 calc R
H33B H 0.5200 0.8103 0.4365 0.058 Uiso 1 1 calc R
C34 C 0.3391(8) 0.8276(7) 0.4225(3) 0.0490(18) Uani 1 1 d .
H34A H 0.3860 0.9195 0.4165 0.059 Uiso 1 1 calc R
H34B H 0.2502 0.7794 0.3952 0.059 Uiso 1 1 calc R
C35 C 0.3073(8) 0.8320(8) 0.4824(3) 0.0493(18) Uani 1 1 d .
H35A H 0.3960 0.8806 0.5097 0.059 Uiso 1 1 calc R
H35B H 0.2605 0.7402 0.4885 0.059 Uiso 1 1 calc R
C36 C 0.2155(8) 0.8982(7) 0.4945(3) 0.0455(17) Uani 1 1 d .
H36A H 0.1267 0.8495 0.4671 0.055 Uiso 1 1 calc R
H36B H 0.2622 0.9899 0.4883 0.055 Uiso 1 1 calc R
C37 C 0.1832(7) 0.9034(7) 0.5549(3) 0.0422(16) Uani 1 1 d .
H37A H 0.1351 0.8115 0.5607 0.051 Uiso 1 1 calc R
H37B H 0.2723 0.9502 0.5821 0.051 Uiso 1 1 calc R
C38 C 0.0941(8) 0.9716(7) 0.5688(3) 0.0453(17) Uani 1 1 d .
H38A H 0.0046 0.9248 0.5418 0.054 Uiso 1 1 calc R
H38B H 0.1419 1.0636 0.5630 0.054 Uiso 1 1 calc R
C39 C 0.0639(8) 0.9759(8) 0.6291(3) 0.0470(18) Uani 1 1 d .
H39A H 0.0157 0.8838 0.6348 0.056 Uiso 1 1 calc R
H39B H 0.1534 1.0223 0.6561 0.056 Uiso 1 1 calc R
C40 C -0.0242(8) 1.0442(7) 0.6433(3) 0.0443(17) Uani 1 1 d .
H40A H -0.1136 0.9982 0.6163 0.053 Uiso 1 1 calc R
H40B H 0.0242 1.1366 0.6381 0.053 Uiso 1 1 calc R
C41 C -0.0545(8) 1.0465(8) 0.7042(3) 0.0510(19) Uani 1 1 d .
H41A H -0.1053 0.9540 0.7090 0.061 Uiso 1 1 calc R
H41B H 0.0349 1.0901 0.7311 0.061 Uiso 1 1 calc R
C42 C -0.1404(9) 1.1190(9) 0.7190(4) 0.066(2) Uani 1 1 d .
H42A H -0.1559 1.1170 0.7581 0.079 Uiso 1 1 calc R
H42B H -0.2302 1.0751 0.6931 0.079 Uiso 1 1 calc R
H42C H -0.0899 1.2114 0.7152 0.079 Uiso 1 1 calc R
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'
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
O1 W1 O3 104.57(19) . .
O1 W1 O2 103.64(18) . .
O3 W1 O2 87.59(17) . .
O1 W1 O4 102.92(18) . .
O3 W1 O4 88.08(17) . .
O2 W1 O4 153.34(17) . .
O1 W1 O5 102.03(18) . .
O3 W1 O5 153.38(17) . .
O2 W1 O5 85.08(17) . .
O4 W1 O5 87.11(17) . .
O1 W1 O14 178.75(18) . .
O3 W1 O14 76.64(15) . .
O2 W1 O14 76.66(15) . .
O4 W1 O14 76.74(14) . .
O5 W1 O14 76.78(14) . .
O6 W2 O7 103.35(18) . .
O6 W2 O16 99.83(17) . 2
O7 W2 O16 87.82(16) . 2
O6 W2 O13 104.89(18) . .
O7 W2 O13 151.75(16) . .
O16 W2 O13 88.18(16) 2 .
O6 W2 O2 96.53(18) . .
O7 W2 O2 88.93(16) . .
O16 W2 O2 163.63(16) 2 .
O13 W2 O2 87.12(17) . .
O6 W2 O14 171.75(16) . .
O7 W2 O14 75.53(14) . .
O16 W2 O14 88.32(13) 2 .
O13 W2 O14 76.40(14) . .
O2 W2 O14 75.33(14) . .
O8 W3 O15 98.76(18) . .
O8 W3 O9 103.06(18) . .
O15 W3 O9 89.36(16) . .
O8 W3 O7 102.52(18) . .
O15 W3 O7 88.92(16) . .
O9 W3 O7 154.32(16) . .
O8 W3 O3 97.19(18) . .
O15 W3 O3 164.05(17) . .
O9 W3 O3 87.34(16) . .
O7 W3 O3 87.33(16) . .
O8 W3 O14 173.36(17) . .
O15 W3 O14 87.84(14) . .
O9 W3 O14 77.63(14) . .
O7 W3 O14 76.71(14) . .
O3 W3 O14 76.21(15) . .
O10 W4 O16 100.64(18) . .
O10 W4 O11 104.21(19) . .
O16 W4 O11 90.20(16) . .
O10 W4 O9 102.68(19) . .
O16 W4 O9 89.76(16) . .
O11 W4 O9 152.63(16) . .
O10 W4 O4 94.11(18) . .
O16 W4 O4 165.25(15) . .
O11 W4 O4 86.67(17) . .
O9 W4 O4 86.46(16) . .
O10 W4 O14 169.20(17) . .
O16 W4 O14 90.15(14) . .
O11 W4 O14 76.17(14) . .
O9 W4 O14 76.47(14) . .
O4 W4 O14 75.11(13) . .
O12 W5 O15 98.24(18) . 2
O12 W5 O13 102.66(18) . .
O15 W5 O13 88.64(16) 2 .
O12 W5 O11 103.28(18) . .
O15 W5 O11 88.14(16) 2 .
O13 W5 O11 154.06(16) . .
O12 W5 O5 98.25(18) . .
O15 W5 O5 163.50(17) 2 .
O13 W5 O5 87.32(16) . .
O11 W5 O5 88.53(16) . .
O12 W5 O14 174.90(16) . .
O15 W5 O14 86.84(14) 2 .
O13 W5 O14 77.71(14) . .
O11 W5 O14 76.41(14) . .
O5 W5 O14 76.67(14) . .
W1 O2 W2 117.9(2) . .
W1 O3 W3 116.3(2) . .
W1 O4 W4 116.63(18) . .
W1 O5 W5 115.50(18) . .
W2 O7 W3 117.63(19) . .
W3 O9 W4 115.79(18) . .
W4 O11 W5 117.03(19) . .
W2 O13 W5 116.49(18) . .
W3 O14 W5 178.02(17) . .
W3 O14 W1 90.86(13) . .
W5 O14 W1 91.05(12) . .
W3 O14 W4 90.06(11) . .
W5 O14 W4 90.39(12) . .
W1 O14 W4 91.51(12) . .
W3 O14 W2 90.11(12) . .
W5 O14 W2 89.39(11) . .
W1 O14 W2 90.04(12) . .
W4 O14 W2 178.43(17) . .
W3 O15 W5 172.7(2) . 2
W4 O16 W2 176.8(2) . 2
C1 N1 C5 121.0(6) . .
C1 N1 C6 118.9(5) . .
C5 N1 C6 120.1(5) . .
C26 N2 C22 120.7(6) . .
C26 N2 C27 119.6(6) . .
C22 N2 C27 119.7(6) . .
N1 C1 C2 120.9(6) . .
N1 C1 H1 119.5 . .
C2 C1 H1 119.5 . .
C1 C2 C3 119.0(6) . .
C1 C2 H2 120.5 . .
C3 C2 H2 120.5 . .
C4 C3 C2 118.7(7) . .
C4 C3 H3 120.6 . .
C2 C3 H3 120.6 . .
C5 C4 C3 120.6(7) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
N1 C5 C4 119.6(6) . .
N1 C5 H5 120.2 . .
C4 C5 H5 120.2 . .
N1 C6 C7 112.1(5) . .
N1 C6 H6A 109.2 . .
C7 C6 H6A 109.2 . .
N1 C6 H6B 109.2 . .
C7 C6 H6B 109.2 . .
H6A C6 H6B 107.9 . .
C6 C7 C8 116.1(5) . .
C6 C7 H7A 108.3 . .
C8 C7 H7A 108.3 . .
C6 C7 H7B 108.3 . .
C8 C7 H7B 108.3 . .
H7A C7 H7B 107.4 . .
C9 C8 C7 116.0(6) . .
C9 C8 H8A 108.3 . .
C7 C8 H8A 108.3 . .
C9 C8 H8B 108.3 . .
C7 C8 H8B 108.3 . .
H8A C8 H8B 107.4 . .
C8 C9 C10 112.8(6) . .
C8 C9 H9A 109.0 . .
C10 C9 H9A 109.0 . .
C8 C9 H9B 109.0 . .
C10 C9 H9B 109.0 . .
H9A C9 H9B 107.8 . .
C11 C10 C9 115.2(6) . .
C11 C10 H10A 108.5 . .
C9 C10 H10A 108.5 . .
C11 C10 H10B 108.5 . .
C9 C10 H10B 108.5 . .
H10A C10 H10B 107.5 . .
C12 C11 C10 114.1(6) . .
C12 C11 H11A 108.7 . .
C10 C11 H11A 108.7 . .
C12 C11 H11B 108.7 . .
C10 C11 H11B 108.7 . .
H11A C11 H11B 107.6 . .
C13 C12 C11 115.1(6) . .
C13 C12 H12A 108.5 . .
C11 C12 H12A 108.5 . .
C13 C12 H12B 108.5 . .
C11 C12 H12B 108.5 . .
H12A C12 H12B 107.5 . .
C12 C13 C14 114.7(6) . .
C12 C13 H13A 108.6 . .
C14 C13 H13A 108.6 . .
C12 C13 H13B 108.6 . .
C14 C13 H13B 108.6 . .
H13A C13 H13B 107.6 . .
C13 C14 C15 115.2(6) . .
C13 C14 H14A 108.5 . .
C15 C14 H14A 108.5 . .
C13 C14 H14B 108.5 . .
C15 C14 H14B 108.5 . .
H14A C14 H14B 107.5 . .
C14 C15 C16 114.7(6) . .
C14 C15 H15A 108.6 . .
C16 C15 H15A 108.6 . .
C14 C15 H15B 108.6 . .
C16 C15 H15B 108.6 . .
H15A C15 H15B 107.6 . .
C17 C16 C15 113.4(6) . .
C17 C16 H16A 108.9 . .
C15 C16 H16A 108.9 . .
C17 C16 H16B 108.9 . .
C15 C16 H16B 108.9 . .
H16A C16 H16B 107.7 . .
C18 C17 C16 113.9(6) . .
C18 C17 H17A 108.8 . .
C16 C17 H17A 108.8 . .
C18 C17 H17B 108.8 . .
C16 C17 H17B 108.8 . .
H17A C17 H17B 107.7 . .
C17 C18 C19 115.0(6) . .
C17 C18 H18A 108.5 . .
C19 C18 H18A 108.5 . .
C17 C18 H18B 108.5 . .
C19 C18 H18B 108.5 . .
H18A C18 H18B 107.5 . .
C20 C19 C18 115.8(6) . .
C20 C19 H19A 108.3 . .
C18 C19 H19A 108.3 . .
C20 C19 H19B 108.3 . .
C18 C19 H19B 108.3 . .
H19A C19 H19B 107.4 . .
C19 C20 C21 114.2(7) . .
C19 C20 H20A 108.7 . .
C21 C20 H20A 108.7 . .
C19 C20 H20B 108.7 . .
C21 C20 H20B 108.7 . .
H20A C20 H20B 107.6 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N2 C22 C23 120.5(6) . .
N2 C22 H22 119.7 . .
C23 C22 H22 119.7 . .
C22 C23 C24 119.3(7) . .
C22 C23 H23 120.3 . .
C24 C23 H23 120.3 . .
C25 C24 C23 120.5(8) . .
C25 C24 H24 119.7 . .
C23 C24 H24 119.7 . .
C24 C25 C26 118.6(7) . .
C24 C25 H25 120.7 . .
C26 C25 H25 120.7 . .
N2 C26 C25 120.4(6) . .
N2 C26 H26 119.8 . .
C25 C26 H26 119.8 . .
N2 C27 C28 112.1(6) . .
N2 C27 H27A 109.2 . .
C28 C27 H27A 109.2 . .
N2 C27 H27B 109.2 . .
C28 C27 H27B 109.2 . .
H27A C27 H27B 107.9 . .
C27 C28 C29 111.7(6) . .
C27 C28 H28A 109.3 . .
C29 C28 H28A 109.3 . .
C27 C28 H28B 109.3 . .
C29 C28 H28B 109.3 . .
H28A C28 H28B 107.9 . .
C30 C29 C28 112.9(6) . .
C30 C29 H29A 109.0 . .
C28 C29 H29A 109.0 . .
C30 C29 H29B 109.0 . .
C28 C29 H29B 109.0 . .
H29A C29 H29B 107.8 . .
C29 C30 C31 114.1(6) . .
C29 C30 H30A 108.7 . .
C31 C30 H30A 108.7 . .
C29 C30 H30B 108.7 . .
C31 C30 H30B 108.7 . .
H30A C30 H30B 107.6 . .
C32 C31 C30 114.0(6) . .
C32 C31 H31A 108.7 . .
C30 C31 H31A 108.7 . .
C32 C31 H31B 108.7 . .
C30 C31 H31B 108.7 . .
H31A C31 H31B 107.6 . .
C31 C32 C33 113.5(6) . .
C31 C32 H32A 108.9 . .
C33 C32 H32A 108.9 . .
C31 C32 H32B 108.9 . .
C33 C32 H32B 108.9 . .
H32A C32 H32B 107.7 . .
C34 C33 C32 115.0(6) . .
C34 C33 H33A 108.5 . .
C32 C33 H33A 108.5 . .
C34 C33 H33B 108.5 . .
C32 C33 H33B 108.5 . .
H33A C33 H33B 107.5 . .
C35 C34 C33 114.1(6) . .
C35 C34 H34A 108.7 . .
C33 C34 H34A 108.7 . .
C35 C34 H34B 108.7 . .
C33 C34 H34B 108.7 . .
H34A C34 H34B 107.6 . .
C34 C35 C36 113.6(6) . .
C34 C35 H35A 108.9 . .
C36 C35 H35A 108.9 . .
C34 C35 H35B 108.9 . .
C36 C35 H35B 108.9 . .
H35A C35 H35B 107.7 . .
C35 C36 C37 113.9(6) . .
C35 C36 H36A 108.8 . .
C37 C36 H36A 108.8 . .
C35 C36 H36B 108.8 . .
C37 C36 H36B 108.8 . .
H36A C36 H36B 107.7 . .
C38 C37 C36 115.2(6) . .
C38 C37 H37A 108.5 . .
C36 C37 H37A 108.5 . .
C38 C37 H37B 108.5 . .
C36 C37 H37B 108.5 . .
H37A C37 H37B 107.5 . .
C37 C38 C39 114.2(6) . .
C37 C38 H38A 108.7 . .
C39 C38 H38A 108.7 . .
C37 C38 H38B 108.7 . .
C39 C38 H38B 108.7 . .
H38A C38 H38B 107.6 . .
C40 C39 C38 114.4(6) . .
C40 C39 H39A 108.7 . .
C38 C39 H39A 108.7 . .
C40 C39 H39B 108.7 . .
C38 C39 H39B 108.7 . .
H39A C39 H39B 107.6 . .
C39 C40 C41 113.6(6) . .
C39 C40 H40A 108.8 . .
C41 C40 H40A 108.8 . .
C39 C40 H40B 108.8 . .
C41 C40 H40B 108.8 . .
H40A C40 H40B 107.7 . .
C42 C41 C40 113.6(6) . .
C42 C41 H41A 108.9 . .
C40 C41 H41A 108.9 . .
C42 C41 H41B 108.9 . .
C40 C41 H41B 108.9 . .
H41A C41 H41B 107.7 . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O1 1.701(4) .
W1 O3 1.893(4) .
W1 O2 1.908(4) .
W1 O4 1.908(4) .
W1 O5 1.926(4) .
W1 O14 2.295(3) .
W2 O6 1.697(4) .
W2 O7 1.898(4) .
W2 O16 1.910(4) 2
W2 O13 1.914(4) .
W2 O2 1.919(4) .
W2 O14 2.340(3) .
W3 O8 1.696(4) .
W3 O15 1.880(4) .
W3 O9 1.911(4) .
W3 O7 1.921(4) .
W3 O3 1.941(4) .
W3 O14 2.276(3) .
W4 O10 1.696(4) .
W4 O16 1.874(4) .
W4 O11 1.903(4) .
W4 O9 1.923(4) .
W4 O4 1.972(4) .
W4 O14 2.314(3) .
W5 O12 1.686(4) .
W5 O15 1.897(4) 2
W5 O13 1.914(4) .
W5 O11 1.925(4) .
W5 O5 1.941(4) .
W5 O14 2.287(3) .
O15 W5 1.897(4) 2
O16 W2 1.910(4) 2
N1 C1 1.332(7) .
N1 C5 1.336(8) .
N1 C6 1.483(8) .
N2 C26 1.338(8) .
N2 C22 1.338(8) .
N2 C27 1.474(9) .
C1 C2 1.369(9) .
C1 H1 0.9400 .
C2 C3 1.376(10) .
C2 H2 0.9400 .
C3 C4 1.367(9) .
C3 H3 0.9400 .
C4 C5 1.367(9) .
C4 H4 0.9400 .
C5 H5 0.9400 .
C6 C7 1.513(8) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C7 C8 1.525(9) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C8 C9 1.504(8) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C9 C10 1.511(9) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C10 C11 1.508(9) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C11 C12 1.503(9) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C12 C13 1.497(9) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C13 C14 1.498(9) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C14 C15 1.509(8) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C15 C16 1.512(10) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C16 C17 1.507(9) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C17 C18 1.505(10) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C18 C19 1.508(9) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C19 C20 1.496(10) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C20 C21 1.517(10) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C21 H21C 0.9700 .
C22 C23 1.357(10) .
C22 H22 0.9400 .
C23 C24 1.366(10) .
C23 H23 0.9400 .
C24 C25 1.355(10) .
C24 H24 0.9400 .
C25 C26 1.381(10) .
C25 H25 0.9400 .
C26 H26 0.9400 .
C27 C28 1.509(9) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C28 C29 1.527(9) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C29 C30 1.499(9) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C30 C31 1.507(9) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C31 C32 1.503(9) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C32 C33 1.513(9) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C33 C34 1.512(9) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C34 C35 1.506(9) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C35 C36 1.509(9) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C36 C37 1.518(9) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C37 C38 1.508(9) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C38 C39 1.511(9) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C39 C40 1.500(9) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C40 C41 1.524(9) .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C41 C42 1.520(9) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C42 H42C 0.9700 .
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
O1 W1 O2 W2 -179.9(2) . .
O3 W1 O2 W2 -75.5(2) . .
O4 W1 O2 W2 5.4(5) . .
O5 W1 O2 W2 78.9(2) . .
O14 W1 O2 W2 1.37(19) . .
O6 W2 O2 W1 177.3(2) . .
O7 W2 O2 W1 74.0(2) . .
O16 W2 O2 W1 -4.6(7) 2 .
O13 W2 O2 W1 -78.0(2) . .
O14 W2 O2 W1 -1.35(18) . .
O1 W1 O3 W3 -179.1(2) . .
O2 W1 O3 W3 77.4(2) . .
O4 W1 O3 W3 -76.3(2) . .
O5 W1 O3 W3 3.4(5) . .
O14 W1 O3 W3 0.54(18) . .
O8 W3 O3 W1 -179.8(2) . .
O15 W3 O3 W1 -0.9(7) . .
O9 W3 O3 W1 77.4(2) . .
O7 W3 O3 W1 -77.5(2) . .
O14 W3 O3 W1 -0.55(18) . .
O1 W1 O4 W4 -179.7(2) . .
O3 W1 O4 W4 75.8(2) . .
O2 W1 O4 W4 -4.9(5) . .
O5 W1 O4 W4 -78.0(2) . .
O14 W1 O4 W4 -0.90(18) . .
O10 W4 O4 W1 -178.5(2) . .
O16 W4 O4 W1 -0.6(8) . .
O11 W4 O4 W1 77.5(2) . .
O9 W4 O4 W1 -76.0(2) . .
O14 W4 O4 W1 0.90(18) . .
O1 W1 O5 W5 179.1(2) . .
O3 W1 O5 W5 -3.4(5) . .
O2 W1 O5 W5 -77.9(2) . .
O4 W1 O5 W5 76.5(2) . .
O14 W1 O5 W5 -0.52(17) . .
O12 W5 O5 W1 -179.1(2) . .
O15 W5 O5 W1 2.5(7) 2 .
O13 W5 O5 W1 78.5(2) . .
O11 W5 O5 W1 -75.9(2) . .
O14 W5 O5 W1 0.52(17) . .
O6 W2 O7 W3 -170.4(2) . .
O16 W2 O7 W3 90.0(2) 2 .
O13 W2 O7 W3 7.9(5) . .
O2 W2 O7 W3 -74.0(2) . .
O14 W2 O7 W3 1.16(18) . .
O8 W3 O7 W2 172.0(2) . .
O15 W3 O7 W2 -89.2(2) . .
O9 W3 O7 W2 -3.0(5) . .
O3 W3 O7 W2 75.3(2) . .
O14 W3 O7 W2 -1.19(19) . .
O8 W3 O9 W4 -175.4(2) . .
O15 W3 O9 W4 85.7(2) . .
O7 W3 O9 W4 -0.4(5) . .
O3 W3 O9 W4 -78.6(2) . .
O14 W3 O9 W4 -2.18(18) . .
O10 W4 O9 W3 171.1(2) . .
O16 W4 O9 W3 -88.0(2) . .
O11 W4 O9 W3 1.9(5) . .
O4 W4 O9 W3 77.7(2) . .
O14 W4 O9 W3 2.16(18) . .
O10 W4 O11 W5 -169.1(2) . .
O16 W4 O11 W5 89.8(2) . .
O9 W4 O11 W5 0.0(5) . .
O4 W4 O11 W5 -75.7(2) . .
O14 W4 O11 W5 -0.26(18) . .
O12 W5 O11 W4 175.0(2) . .
O15 W5 O11 W4 -86.9(2) 2 .
O13 W5 O11 W4 -3.9(5) . .
O5 W5 O11 W4 76.9(2) . .
O14 W5 O11 W4 0.26(18) . .
O6 W2 O13 W5 170.9(2) . .
O7 W2 O13 W5 -7.4(5) . .
O16 W2 O13 W5 -89.4(2) 2 .
O2 W2 O13 W5 74.9(2) . .
O14 W2 O13 W5 -0.67(18) . .
O12 W5 O13 W2 -174.1(2) . .
O15 W5 O13 W2 87.7(2) 2 .
O11 W5 O13 W2 4.8(5) . .
O5 W5 O13 W2 -76.3(2) . .
O14 W5 O13 W2 0.68(18) . .
O8 W3 O14 W5 -159(4) . .
O15 W3 O14 W5 15(5) . .
O9 W3 O14 W5 105(5) . .
O7 W3 O14 W5 -75(5) . .
O3 W3 O14 W5 -165(5) . .
O8 W3 O14 W1 6.8(15) . .
O15 W3 O14 W1 -179.70(14) . .
O9 W3 O14 W1 -89.88(14) . .
O7 W3 O14 W1 90.90(14) . .
O3 W3 O14 W1 0.40(13) . .
O8 W3 O14 W4 98.3(14) . .
O15 W3 O14 W4 -88.19(13) . .
O9 W3 O14 W4 1.63(13) . .
O7 W3 O14 W4 -177.59(15) . .
O3 W3 O14 W4 91.92(15) . .
O8 W3 O14 W2 -83.2(14) . .
O15 W3 O14 W2 90.26(14) . .
O9 W3 O14 W2 -179.92(15) . .
O7 W3 O14 W2 0.86(13) . .
O3 W3 O14 W2 -89.64(15) . .
O12 W5 O14 W3 170(4) . .
O15 W5 O14 W3 -14(5) 2 .
O13 W5 O14 W3 75(5) . .
O11 W5 O14 W3 -103(5) . .
O5 W5 O14 W3 165(5) . .
O12 W5 O14 W1 4.2(19) . .
O15 W5 O14 W1 -179.82(14) 2 .
O13 W5 O14 W1 -90.53(14) . .
O11 W5 O14 W1 91.33(14) . .
O5 W5 O14 W1 -0.39(13) . .
O12 W5 O14 W4 -87.3(19) . .
O15 W5 O14 W4 88.66(14) 2 .
O13 W5 O14 W4 177.95(15) . .
O11 W5 O14 W4 -0.19(13) . .
O5 W5 O14 W4 -91.91(14) . .
O12 W5 O14 W2 94.2(19) . .
O15 W5 O14 W2 -89.79(13) 2 .
O13 W5 O14 W2 -0.50(13) . .
O11 W5 O14 W2 -178.64(15) . .
O5 W5 O14 W2 89.64(14) . .
O1 W1 O14 W3 165(8) . .
O3 W1 O14 W3 -0.41(13) . .
O2 W1 O14 W3 -91.10(15) . .
O4 W1 O14 W3 90.77(15) . .
O5 W1 O14 W3 -179.11(15) . .
O1 W1 O14 W5 -16(8) . .
O3 W1 O14 W5 179.09(16) . .
O2 W1 O14 W5 88.40(15) . .
O4 W1 O14 W5 -89.73(15) . .
O5 W1 O14 W5 0.40(13) . .
O1 W1 O14 W4 75(8) . .
O3 W1 O14 W4 -90.50(15) . .
O2 W1 O14 W4 178.82(16) . .
O4 W1 O14 W4 0.68(14) . .
O5 W1 O14 W4 90.81(14) . .
O1 W1 O14 W2 -105(8) . .
O3 W1 O14 W2 89.70(15) . .
O2 W1 O14 W2 -0.99(13) . .
O4 W1 O14 W2 -179.12(16) . .
O5 W1 O14 W2 -89.00(14) . .
O10 W4 O14 W3 -88.4(9) . .
O16 W4 O14 W3 88.09(14) . .
O11 W4 O14 W3 178.26(16) . .
O9 W4 O14 W3 -1.63(13) . .
O4 W4 O14 W3 -91.53(15) . .
O10 W4 O14 W5 93.5(9) . .
O16 W4 O14 W5 -89.98(14) . .
O11 W4 O14 W5 0.19(14) . .
O9 W4 O14 W5 -179.70(15) . .
O4 W4 O14 W5 90.40(15) . .
O10 W4 O14 W1 2.5(10) . .
O16 W4 O14 W1 178.96(14) . .
O11 W4 O14 W1 -90.87(15) . .
O9 W4 O14 W1 89.24(15) . .
O4 W4 O14 W1 -0.67(13) . .
O10 W4 O14 W2 175(100) . .
O16 W4 O14 W2 -8(6) . .
O11 W4 O14 W2 82(6) . .
O9 W4 O14 W2 -98(6) . .
O4 W4 O14 W2 172(6) . .
O6 W2 O14 W3 82.4(11) . .
O7 W2 O14 W3 -0.87(14) . .
O16 W2 O14 W3 -89.05(14) 2 .
O13 W2 O14 W3 -177.58(15) . .
O2 W2 O14 W3 91.85(15) . .
O6 W2 O14 W5 -99.5(11) . .
O7 W2 O14 W5 177.21(15) . .
O16 W2 O14 W5 89.03(14) 2 .
O13 W2 O14 W5 0.50(13) . .
O2 W2 O14 W5 -90.06(15) . .
O6 W2 O14 W1 -8.5(12) . .
O7 W2 O14 W1 -91.74(15) . .
O16 W2 O14 W1 -179.92(14) 2 .
O13 W2 O14 W1 91.55(14) . .
O2 W2 O14 W1 0.99(13) . .
O6 W2 O14 W4 179(100) . .
O7 W2 O14 W4 95(6) . .
O16 W2 O14 W4 7(6) 2 .
O13 W2 O14 W4 -81(6) . .
O2 W2 O14 W4 -172(6) . .
O8 W3 O15 W5 2.7(17) . 2
O9 W3 O15 W5 105.9(17) . 2
O7 W3 O15 W5 -99.8(17) . 2
O3 W3 O15 W5 -176.1(13) . 2
O14 W3 O15 W5 -176.5(17) . 2
O10 W4 O16 W2 -18(4) . 2
O11 W4 O16 W2 87(4) . 2
O9 W4 O16 W2 -121(4) . 2
O4 W4 O16 W2 164(4) . 2
O14 W4 O16 W2 163(4) . 2
C5 N1 C1 C2 -1.0(10) . .
C6 N1 C1 C2 177.9(6) . .
N1 C1 C2 C3 -1.6(10) . .
C1 C2 C3 C4 3.4(10) . .
C2 C3 C4 C5 -2.7(11) . .
C1 N1 C5 C4 1.7(10) . .
C6 N1 C5 C4 -177.1(6) . .
C3 C4 C5 N1 0.2(10) . .
C1 N1 C6 C7 -87.1(7) . .
C5 N1 C6 C7 91.8(7) . .
N1 C6 C7 C8 -64.2(7) . .
C6 C7 C8 C9 -64.0(8) . .
C7 C8 C9 C10 -175.3(6) . .
C8 C9 C10 C11 -176.2(6) . .
C9 C10 C11 C12 -177.8(6) . .
C10 C11 C12 C13 -177.8(6) . .
C11 C12 C13 C14 -179.8(6) . .
C12 C13 C14 C15 179.8(6) . .
C13 C14 C15 C16 -179.5(6) . .
C14 C15 C16 C17 -178.2(7) . .
C15 C16 C17 C18 179.7(7) . .
C16 C17 C18 C19 178.1(7) . .
C17 C18 C19 C20 178.3(7) . .
C18 C19 C20 C21 -178.4(7) . .
C26 N2 C22 C23 -0.9(9) . .
C27 N2 C22 C23 -177.9(6) . .
N2 C22 C23 C24 -0.2(9) . .
C22 C23 C24 C25 0.3(10) . .
C23 C24 C25 C26 0.5(11) . .
C22 N2 C26 C25 1.7(9) . .
C27 N2 C26 C25 178.8(6) . .
C24 C25 C26 N2 -1.6(10) . .
C26 N2 C27 C28 -85.8(8) . .
C22 N2 C27 C28 91.3(7) . .
N2 C27 C28 C29 179.6(6) . .
C27 C28 C29 C30 -173.8(6) . .
C28 C29 C30 C31 174.7(6) . .
C29 C30 C31 C32 180.0(6) . .
C30 C31 C32 C33 176.8(6) . .
C31 C32 C33 C34 179.2(6) . .
C32 C33 C34 C35 178.8(7) . .
C33 C34 C35 C36 -179.8(7) . .
C34 C35 C36 C37 -179.9(6) . .
C35 C36 C37 C38 178.8(6) . .
C36 C37 C38 C39 -179.8(6) . .
C37 C38 C39 C40 179.7(6) . .
C38 C39 C40 C41 179.5(6) . .
C39 C40 C41 C42 178.4(7) . .
