#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2007223.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2007223
loop_
_publ_author_name
'Parvez, M.'
'Boorman, P. M.'
'Langdon, N.'
_publ_section_title
;
 Tetraphenylphosphonium Hexatungstate(VI) Acetonitrile Solvate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              608
_journal_page_last               609
_journal_volume                  54
_journal_year                    1998
_chemical_formula_analytical     'C52 H40 D6 N2 O19 P2 W6 '
_chemical_formula_iupac          '(C24 H20 P)2 [W6 O19],  2C2 D3 N'
_chemical_formula_structural     '(W6 O19), (C24 H20 P)2, 2(C2 D3 N) '
_chemical_formula_sum            'C52 H40 D6 N2 O19 P2 W6'
_chemical_formula_weight         2174.04
_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'
_cell_angle_alpha                90
_cell_angle_beta                 101.126(12)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.102(3)
_cell_length_b                   11.570(2)
_cell_length_c                   19.345(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    170
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      10.0
_cell_volume                     2877.4(9)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure
Corporation, 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1994)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SAPI91 (Fan, 1991)'
_diffrn_ambient_temperature      170
_diffrn_measurement_device       'Rigaku AFC-6S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_av_sigmaI/netI    0.110
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5095
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2.0
_diffrn_standards_decay_%        1.05
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    12.07
_exptl_absorpt_correction_T_max  0.114
_exptl_absorpt_correction_T_min  0.055
_exptl_absorpt_correction_type
' psi-scan (3 reflections) (North et al., 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.509
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3992.0
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.87
_refine_diff_density_min         -0.93
_refine_ls_extinction_coef       8.0(5)x10^-8^
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_all   1.22
_refine_ls_goodness_of_fit_obs   1.31
_refine_ls_hydrogen_treatment
'H atoms geometrically idealized with C-H 0.95 \%A'
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     368
_refine_ls_number_reflns         5095
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.122
_refine_ls_R_factor_obs          0.035
_refine_ls_shift/esd_max         0.024
_refine_ls_shift/esd_mean        0.0031
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'w = 1/\s^2^(Fo)'
_refine_ls_wR_factor_all         0.028
_refine_ls_wR_factor_obs         0.022
_reflns_number_observed          2765
_reflns_number_total             5095
_reflns_observed_criterion       >2\s(I)
_[local]_cod_data_source_file    fg1378.cif
_[local]_cod_data_source_block   Hexatungstate
_[local]_cod_cif_authors_sg_H-M  'P 21/n     '
_[local]_cod_chemical_formula_sum_orig 'C52 H40 D6 N2 O19 P2 W6 '
_cod_original_cell_volume        2877.3(9)
_cod_database_code               2007223
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
1/2-x,1/2+y,1/2-z
'   -x,   -y,   -z'
1/2+x,1/2-y,1/2+z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
W(1) 0.0338(4) 0.0529(5) 0.0395(4) 0.0064(4) 0.0115(3) -0.0093(4)
W(2) 0.0310(4) 0.0432(4) 0.0438(4) 0.0074(3) 0.0017(3) 0.0018(3)
W(3) 0.0277(4) 0.0362(4) 0.0639(4) -0.0066(3) 0.0003(3) -0.0153(4)
P(1) 0.030(2) 0.030(2) 0.031(2) -0.0021(18) 0.0078(17) -0.0041(18)
O(1) 0.019(7) 0.042(9) 0.024(7) 0.005(6) 0.006(6) -0.010(6)
O(2) 0.036(6) 0.043(7) 0.061(6) 0.008(5) 0.019(5) -0.014(6)
O(3) 0.041(6) 0.046(7) 0.066(7) -0.004(6) 0.011(5) -0.021(6)
O(4) 0.032(6) 0.035(6) 0.066(7) -0.005(5) 0.006(5) -0.005(5)
O(5) 0.039(6) 0.063(8) 0.046(6) 0.008(6) 0.015(5) -0.001(6)
O(6) 0.074(8) 0.077(9) 0.051(7) 0.001(7) 0.029(6) -0.009(6)
O(7) 0.042(6) 0.049(7) 0.060(7) -0.010(5) 0.026(5) -0.004(6)
O(8) 0.027(5) 0.065(8) 0.040(6) -0.001(5) -0.001(5) -0.007(6)
O(9) 0.055(7) 0.057(8) 0.062(7) 0.024(6) 0.005(5) 0.008(6)
O(10) 0.052(7) 0.058(8) 0.125(10) -0.030(7) 0.014(7) -0.048(8)
N(1) 0.138(17) 0.118(17) 0.116(16) 0.046(13) 0.060(13) 0.027(13)
C(1) 0.029(8) 0.042(9) 0.021(7) 0.008(7) 0.004(6) -0.002(7)
C(2) 0.020(8) 0.048(10) 0.050(10) -0.005(7) 0.012(7) -0.009(8)
C(3) 0.031(8) 0.039(10) 0.036(8) -0.003(7) 0.005(7) -0.003(8)
C(4) 0.037(8) 0.040(10) 0.036(8) -0.003(8) 0.006(7) 0.004(8)
C(5) 0.039(9) 0.043(10) 0.033(8) 0.004(8) 0.014(7) 0.002(8)
C(6) 0.029(8) 0.029(8) 0.036(8) -0.005(7) -0.002(6) 0.003(7)
C(7) 0.031(8) 0.029(9) 0.026(8) -0.001(7) 0.011(6) 0.008(7)
C(8) 0.033(9) 0.042(10) 0.067(10) 0.008(8) 0.005(8) 0.023(9)
C(9) 0.042(10) 0.062(13) 0.083(13) 0.008(10) -0.004(9) 0.021(11)
C(10) 0.041(10) 0.054(12) 0.056(11) -0.012(9) 0.009(8) -0.018(9)
C(11) 0.068(13) 0.049(12) 0.088(13) -0.008(11) 0.012(11) 0.002(11)
C(12) 0.029(9) 0.046(11) 0.075(11) 0.004(9) 0.012(8) -0.001(10)
C(13) 0.043(8) 0.022(8) 0.021(7) 0.008(7) 0.013(6) -0.009(7)
C(14) 0.033(8) 0.042(10) 0.033(8) 0.009(8) -0.002(7) -0.007(8)
C(15) 0.043(9) 0.037(10) 0.061(11) -0.015(8) 0.012(8) 0.000(9)
C(16) 0.061(11) 0.039(10) 0.055(11) 0.003(9) 0.025(9) 0.016(9)
C(17) 0.059(11) 0.053(12) 0.045(10) 0.013(9) 0.009(8) 0.019(9)
C(18) 0.038(8) 0.043(10) 0.022(7) 0.007(8) 0.004(6) -0.014(7)
C(19) 0.031(8) 0.026(8) 0.025(7) -0.005(7) 0.006(6) -0.006(7)
C(20) 0.042(9) 0.036(10) 0.028(8) 0.003(7) 0.005(7) 0.003(7)
C(21) 0.051(10) 0.049(12) 0.074(13) 0.024(9) 0.004(9) -0.028(10)
C(22) 0.062(12) 0.047(12) 0.063(12) 0.026(10) -0.008(9) 0.002(10)
C(23) 0.073(13) 0.039(11) 0.068(12) 0.011(10) -0.005(10) 0.032(10)
C(24) 0.047(10) 0.057(12) 0.048(10) 0.004(9) 0.012(8) -0.007(10)
C(25) 0.097(17) 0.065(14) 0.080(16) 0.016(13) 0.022(12) 0.015(13)
C(26) 0.16(2) 0.106(19) 0.127(19) -0.031(17) 0.078(17) -0.032(16)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
W(1) 0.90621(5) 0.04862(6) 0.08598(3) 0.0415(2) Uani d . 1.000
W(2) 0.89583(5) 0.12303(6) -0.07912(3) 0.04004(19) Uani d . 1.000
W(3) 1.11388(5) 0.15132(6) 0.03613(3) 0.0437(2) Uani d . 1.000
P(1) 0.9620(3) 0.2556(3) 0.34048(18) 0.0302(11) Uani d . 1.000
O(1) 1.0000 0.0000 0.0000 0.028(4) Uani d S 1.000
O(2) 0.8415(6) 0.1376(8) 0.0051(4) 0.045(3) Uani d . 1.000
O(3) 1.0162(7) 0.1614(8) 0.0966(4) 0.051(3) Uani d . 1.000
O(4) 1.0054(7) 0.2218(8) -0.0339(4) 0.045(3) Uani d . 1.000
O(5) 1.0064(6) -0.0598(8) 0.1311(4) 0.049(3) Uani d . 1.000
O(6) 0.8390(7) 0.0860(9) 0.1493(4) 0.065(4) Uani d . 1.000
O(7) 0.8336(7) -0.0813(8) 0.0406(4) 0.048(3) Uani d . 1.000
O(8) 0.8239(6) -0.0242(9) -0.0910(4) 0.045(3) Uani d . 1.000
O(9) 0.8156(7) 0.2123(9) -0.1373(5) 0.059(4) Uani d . 1.000
O(10) 1.1995(8) 0.2618(9) 0.0643(6) 0.079(4) Uani d . 1.000
N(1) 0.2405(14) 0.0769(16) 0.5793(9) 0.119(8) Uani d . 1.000
C(1) 0.9856(10) 0.3011(12) 0.4304(6) 0.031(4) Uani d . 1.000
C(2) 1.0838(9) 0.2924(12) 0.4712(7) 0.039(5) Uani d . 1.000
C(3) 1.1042(10) 0.3255(11) 0.5423(7) 0.036(4) Uani d . 1.000
C(4) 1.0215(10) 0.3694(13) 0.5706(6) 0.038(4) Uani d . 1.000
C(5) 0.9245(10) 0.3777(12) 0.5294(6) 0.037(4) Uani d . 1.000
C(6) 0.9068(9) 0.3436(11) 0.4592(6) 0.032(4) Uani d . 1.000
C(7) 0.8248(9) 0.2482(12) 0.3080(6) 0.028(4) Uani d . 1.000
C(8) 0.7697(10) 0.3454(13) 0.2814(7) 0.048(5) Uani d . 1.000
C(9) 0.6647(12) 0.3422(15) 0.2625(8) 0.064(6) Uani d . 1.000
C(10) 0.6117(11) 0.2381(14) 0.2689(8) 0.050(5) Uani d . 1.000
C(11) 0.6659(13) 0.1453(16) 0.2949(8) 0.069(6) Uani d . 1.000
C(12) 0.7727(10) 0.1500(14) 0.3147(7) 0.050(5) Uani d . 1.000
C(13) 1.0189(9) 0.3571(11) 0.2866(6) 0.028(4) Uani d . 1.000
C(14) 1.0868(10) 0.4385(12) 0.3159(6) 0.037(4) Uani d . 1.000
C(15) 1.1322(10) 0.5168(12) 0.2770(8) 0.047(5) Uani d . 1.000
C(16) 1.0989(11) 0.5067(13) 0.2037(8) 0.050(5) Uani d . 1.000
C(17) 1.0282(11) 0.4251(13) 0.1715(7) 0.052(6) Uani d . 1.000
C(18) 0.9866(9) 0.3487(12) 0.2132(6) 0.035(4) Uani d . 1.000
C(19) 1.0212(9) 0.1162(11) 0.3398(6) 0.027(4) Uani d . 1.000
C(20) 1.0781(10) 0.0836(11) 0.2893(6) 0.035(4) Uani d . 1.000
C(21) 1.1234(11) -0.0271(14) 0.2930(8) 0.059(6) Uani d . 1.000
C(22) 1.1136(12) -0.1022(14) 0.3432(8) 0.060(6) Uani d . 1.000
C(23) 1.0601(12) -0.0696(14) 0.3956(8) 0.062(6) Uani d . 1.000
C(24) 1.0127(11) 0.0362(14) 0.3930(7) 0.050(5) Uani d . 1.000
C(25) 0.2809(15) 0.0585(17) 0.5358(10) 0.080(8) Uani d . 1.000
C(26) 0.3308(15) 0.0402(18) 0.4787(10) 0.123(10) Uani d . 1.000
H(2) 1.1388 0.2634 0.4507 0.047 Uiso c . 1.000
H(3) 1.1720 0.3182 0.5703 0.043 Uiso c . 1.000
H(4) 1.0329 0.3935 0.6184 0.045 Uiso c . 1.000
H(5) 0.8685 0.4071 0.5489 0.045 Uiso c . 1.000
H(6) 0.8390 0.3500 0.4311 0.039 Uiso c . 1.000
H(8) 0.8057 0.4151 0.2763 0.058 Uiso c . 1.000
H(9) 0.6271 0.4097 0.2451 0.077 Uiso c . 1.000
H(10) 0.5382 0.2341 0.2548 0.060 Uiso c . 1.000
H(11) 0.6306 0.0751 0.3000 0.082 Uiso c . 1.000
H(12) 0.8099 0.0830 0.3334 0.060 Uiso c . 1.000
H(14) 1.1047 0.4424 0.3658 0.044 Uiso c . 1.000
H(15) 1.1815 0.5727 0.2982 0.056 Uiso c . 1.000
H(16) 1.1268 0.5592 0.1745 0.060 Uiso c . 1.000
H(17) 1.0088 0.4220 0.1217 0.063 Uiso c . 1.000
H(18) 0.9376 0.2919 0.1927 0.041 Uiso c . 1.000
H(20) 1.0863 0.1354 0.2527 0.042 Uiso c . 1.000
H(21) 1.1624 -0.0487 0.2585 0.071 Uiso c . 1.000
H(22) 1.1422 -0.1775 0.3430 0.072 Uiso c . 1.000
H(23) 1.0568 -0.1208 0.4335 0.075 Uiso c . 1.000
H(24) 0.9734 0.0558 0.4277 0.060 Uiso c . 1.000
D(1) 0.3608 -0.0350 0.4821 0.147 Uiso c . 1.000
D(2) 0.2818 0.0468 0.4359 0.147 Uiso c . 1.000
D(3) 0.3842 0.0963 0.4798 0.147 Uiso c . 1.000
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
W -0.849 6.872
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O(1) W(1) O(2) . . 76.0(2) no
O(1) W(1) O(3) . . 75.6(2) no
O(1) W(1) O(5) . . 75.8(2) no
O(1) W(1) O(6) . . 179.1(3) no
O(1) W(1) O(7) . . 76.3(2) no
O(2) W(1) O(3) . . 85.9(4) no
O(2) W(1) O(5) . . 151.8(3) no
O(2) W(1) O(6) . . 104.0(4) no
O(2) W(1) O(7) . . 86.8(4) no
O(3) W(1) O(5) . . 87.8(4) no
O(3) W(1) O(6) . . 103.5(4) no
O(3) W(1) O(7) . . 151.9(3) no
O(5) W(1) O(6) . . 104.2(4) no
O(5) W(1) O(7) . . 86.0(4) no
O(6) W(1) O(7) . . 104.6(4) no
O(1) W(2) O(2) . . 76.2(3) no
O(1) W(2) O(4) . . 76.8(3) no
O(1) W(2) O(5) . 3_755 75.3(3) no
O(1) W(2) O(8) . . 75.6(3) no
O(1) W(2) O(9) . . 178.4(3) no
O(2) W(2) O(4) . . 85.9(4) no
O(2) W(2) O(5) . 3_755 151.4(4) no
O(2) W(2) O(8) . . 85.7(3) no
O(2) W(2) O(9) . . 102.9(4) no
O(4) W(2) O(5) . 3_755 87.1(4) no
O(4) W(2) O(8) . . 152.3(4) no
O(4) W(2) O(9) . . 104.5(4) no
O(5) W(2) O(8) 3_755 . 87.8(4) no
O(5) W(2) O(9) 3_755 . 105.7(4) no
O(8) W(2) O(9) . . 103.2(4) no
O(1) W(3) O(3) . . 76.1(3) no
O(1) W(3) O(4) . . 76.4(3) no
O(1) W(3) O(7) . 3_755 75.8(3) no
O(1) W(3) O(8) . 3_755 76.5(3) no
O(1) W(3) O(10) . . 178.9(4) no
O(3) W(3) O(4) . . 85.1(4) no
O(3) W(3) O(7) . 3_755 152.0(4) no
O(3) W(3) O(8) . 3_755 88.3(4) no
O(3) W(3) O(10) . . 103.6(4) no
O(4) W(3) O(7) . 3_755 87.8(4) no
O(4) W(3) O(8) . 3_755 152.9(4) no
O(4) W(3) O(10) . . 104.7(5) no
O(7) W(3) O(8) 3_755 3_755 85.8(4) no
O(7) W(3) O(10) 3_755 . 104.4(4) no
O(8) W(3) O(10) 3_755 . 102.4(5) no
C(1) P(1) C(7) . . 109.2(6) no
C(1) P(1) C(13) . . 110.7(6) no
C(1) P(1) C(19) . . 106.2(6) no
C(7) P(1) C(13) . . 108.9(6) no
C(7) P(1) C(19) . . 111.2(6) no
C(13) P(1) C(19) . . 110.5(5) no
W(1) O(1) W(1) . 3_755 180.00 no
W(1) O(1) W(2) . . 89.92(2) no
W(1) O(1) W(2) . 3_755 90.08(2) no
W(1) O(1) W(3) . . 89.99(2) no
W(1) O(1) W(3) . 3_755 90.01(2) no
W(1) O(1) W(2) 3_755 . 90.08(2) no
W(1) O(1) W(2) 3_755 3_755 89.92(2) no
W(1) O(1) W(3) 3_755 . 90.01(2) no
W(1) O(1) W(3) 3_755 3_755 89.99(2) no
W(2) O(1) W(2) . 3_755 180.00 no
W(2) O(1) W(3) . . 89.89(2) no
W(2) O(1) W(3) . 3_755 90.11(2) no
W(2) O(1) W(3) 3_755 . 90.11(2) no
W(2) O(1) W(3) 3_755 3_755 89.89(2) no
W(3) O(1) W(3) . 3_755 180.00 no
W(1) O(2) W(2) . . 117.9(4) no
W(1) O(3) W(3) . . 118.3(4) no
W(2) O(4) W(3) . . 116.9(4) no
W(1) O(5) W(2) . 3_755 118.9(4) no
W(1) O(7) W(3) . 3_755 117.8(4) no
W(2) O(8) W(3) . 3_755 117.8(4) no
P(1) C(1) C(2) . . 120.2(10) no
P(1) C(1) C(6) . . 120.3(10) no
C(2) C(1) C(6) . . 119.5(12) no
C(1) C(2) C(3) . . 121.5(11) no
C(2) C(3) C(4) . . 117.8(12) no
C(3) C(4) C(5) . . 120.0(12) no
C(4) C(5) C(6) . . 120.7(12) no
C(1) C(6) C(5) . . 120.5(12) no
P(1) C(7) C(8) . . 120.7(11) no
P(1) C(7) C(12) . . 120.0(11) no
C(8) C(7) C(12) . . 119.0(12) no
C(7) C(8) C(9) . . 120.7(14) no
C(8) C(9) C(10) . . 119.5(15) no
C(9) C(10) C(11) . . 119.1(14) no
C(10) C(11) C(12) . . 120.8(17) no
C(7) C(12) C(11) . . 120.9(15) no
P(1) C(13) C(14) . . 121.5(9) no
P(1) C(13) C(18) . . 117.2(10) no
C(14) C(13) C(18) . . 121.3(12) no
C(13) C(14) C(15) . . 123.3(12) no
C(14) C(15) C(16) . . 114.3(13) no
C(15) C(16) C(17) . . 124.2(13) no
C(16) C(17) C(18) . . 118.7(13) no
C(13) C(18) C(17) . . 118.1(13) no
P(1) C(19) C(20) . . 122.8(10) no
P(1) C(19) C(24) . . 119.5(9) no
C(20) C(19) C(24) . . 117.7(12) no
C(19) C(20) C(21) . . 119.3(12) no
C(20) C(21) C(22) . . 122.2(14) no
C(21) C(22) C(23) . . 119.3(15) no
C(22) C(23) C(24) . . 120.3(14) no
C(19) C(24) C(23) . . 121.1(13) no
N(1) C(25) C(26) . . 177.(3) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
W(1) O(1) . 2.3198(6) y
W(1) O(2) . 1.928(9) y
W(1) O(3) . 1.925(9) y
W(1) O(5) . 1.901(9) y
W(1) O(6) . 1.697(8) y
W(1) O(7) . 1.901(9) y
W(2) O(1) . 2.3292(6) y
W(2) O(2) . 1.907(7) y
W(2) O(4) . 1.910(9) y
W(2) O(5) 3_755 1.919(7) y
W(2) O(8) . 1.939(9) y
W(2) O(9) . 1.727(9) y
W(3) O(1) . 2.3189(6) y
W(3) O(3) . 1.896(8) y
W(3) O(4) . 1.944(9) y
W(3) O(7) 3_755 1.930(8) y
W(3) O(8) 3_755 1.903(9) y
W(3) O(10) . 1.718(10) y
P(1) C(1) . 1.786(12) no
P(1) C(7) . 1.788(12) no
P(1) C(13) . 1.822(12) no
P(1) C(19) . 1.791(13) no
N(1) C(25) . 1.099(17) no
C(1) C(2) . 1.377(16) no
C(1) C(6) . 1.355(15) no
C(2) C(3) . 1.404(15) no
C(3) C(4) . 1.400(15) no
C(4) C(5) . 1.367(16) no
C(5) C(6) . 1.391(15) no
C(7) C(8) . 1.381(17) no
C(7) C(12) . 1.345(17) no
C(8) C(9) . 1.353(17) no
C(9) C(10) . 1.41(2) no
C(10) C(11) . 1.33(2) no
C(11) C(12) . 1.379(18) no
C(13) C(14) . 1.344(16) no
C(13) C(18) . 1.406(14) no
C(14) C(15) . 1.382(16) no
C(15) C(16) . 1.405(17) no
C(16) C(17) . 1.384(19) no
C(17) C(18) . 1.378(16) no
C(19) C(20) . 1.390(14) no
C(19) C(24) . 1.404(17) no
C(20) C(21) . 1.407(18) no
C(21) C(22) . 1.329(18) no
C(22) C(23) . 1.390(18) no
C(23) C(24) . 1.368(19) no
C(25) C(26) . 1.403(19) no