#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/70/4307051.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_4307051
loop_
_publ_author_name
'Maxim N. Sokolov'
'Artem L. Gushchin'
'Konstantin A. Kovalenko'
'Eugenia V. Peresypkina'
'Alexander V. Virovets'
'Joaquin Sanchiz'
'Vladimir P. Fedin'
_publ_contact_author_address
;
 Institute of Inorganic Chemistry SD RAS
 Ak.Lavrentiev prosp. 3
 Novosibirsk 630090
 Russia
;
_publ_contact_author_email       peresyp@che.nsk.su
_publ_contact_author_fax         '007 383 3309489'
_publ_contact_author_name        'Dr Eugenia V. Peresypkina'
_publ_section_title
;
Triangular Oxalate Clusters [W3(μ3-S)(μ2-S2)3(C2O4)3]2- as Building Blocks
for Coordination Polymers and Nanosized Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2115
_journal_page_last               2123
_journal_paper_doi               10.1021/ic061540l
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'K, C14 H36 O38 Pr2 S14 W6, Br, (H2 O)14.7'
_chemical_formula_structural
'K[(W3 S7 (C2 O4)3)Pr(H2 O)5)2(C2 O4)]Br * 14.7(H2 O)'
_chemical_formula_sum            'C14 H49.4 Br K O52.7 Pr2 S14 W6'
_chemical_formula_weight         3013.91
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.7460(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.0999(6)
_cell_length_b                   18.6732(5)
_cell_length_c                   16.4904(6)
_cell_measurement_reflns_used    5433
_cell_measurement_temperature    90.0(5)
_cell_measurement_theta_max      27.9875
_cell_measurement_theta_min      2.5143
_cell_volume                     6685.9(4)
_computing_cell_refinement       'APEX2 v.1.0-27 (Bruker, 2004)'
_computing_data_collection       'APEX2 v.1.0-27 (Bruker, 2004)'
_computing_data_reduction        'APEX2 v.1.0-27 (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL v.6.22 (Bruker, 1990-2003)'
_computing_publication_material  'local programs'
_computing_structure_refinement  'SHELXTL v.6.22 (Bruker, 1990-2003)'
_computing_structure_solution    'SHELXTL v.6.22 (Bruker, 1990-2003)'
_diffrn_ambient_temperature      90.0(5)
_diffrn_detector_area_resol_mean 25.6
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker X8APEX CCD diffractometer'
_diffrn_measurement_method       'phi & omega scans'
_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  0.0440
_diffrn_reflns_av_sigmaI/netI    0.0763
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19706
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.44
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.912
_exptl_absorpt_correction_T_max  0.772
_exptl_absorpt_correction_T_min  0.688
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'based on intensities, SADABS (Bruker)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.994
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             5644
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.025
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.704
_refine_diff_density_min         -2.348
_refine_diff_density_rms         0.347
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         7485
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0745
_refine_ls_R_factor_gt           0.0416
_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)+(0.0376P)²+125.3853P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0876
_refine_ls_wR_factor_ref         0.1003
_reflns_number_gt                5373
_reflns_number_total             7485
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061540lsi20060815_124319_4.cif
_cod_data_source_block           compound_IIa
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_formula_sum        'C14 H49.40 Br K O52.70 Pr2 S14 W6'
_cod_database_code               4307051
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
W1 W 0.383419(17) 0.54007(2) 0.12186(3) 0.01005(10) Uani 1 1 d . . .
W2 W 0.315941(17) 0.45193(2) 0.20046(3) 0.01278(11) Uani 1 1 d . . .
W3 W 0.341222(18) 0.41471(2) 0.05194(3) 0.01243(11) Uani 1 1 d . . .
S1 S 0.27829(10) 0.51221(13) 0.07521(17) 0.0139(5) Uani 1 1 d . . .
S2 S 0.36575(11) 0.34146(13) 0.17445(18) 0.0156(6) Uani 1 1 d . . .
S3 S 0.27324(11) 0.34197(14) 0.1243(2) 0.0206(6) Uani 1 1 d . . .
S4 S 0.44828(11) 0.44815(13) 0.08076(17) 0.0125(5) Uani 1 1 d . . .
S5 S 0.39894(12) 0.50298(14) -0.01843(17) 0.0163(6) Uani 1 1 d . . .
S6 S 0.41801(11) 0.49452(13) 0.25965(17) 0.0132(5) Uani 1 1 d . . .
S7 S 0.35121(11) 0.57209(13) 0.25454(17) 0.0148(5) Uani 1 1 d . . .
Br1 Br 0.5000 0.36252(8) 0.2500 0.0246(4) Uani 1 2 d S . .
O11 O 0.4651(3) 0.6056(3) 0.1384(5) 0.0148(16) Uani 1 1 d . . .
O12 O 0.3518(3) 0.6397(3) 0.0773(4) 0.0126(15) Uani 1 1 d . . .
O13 O 0.4976(3) 0.7162(4) 0.1129(4) 0.0156(16) Uani 1 1 d . . .
O14 O 0.3772(3) 0.7520(4) 0.0551(5) 0.0174(16) Uani 1 1 d . . .
O21 O 0.3147(3) 0.4083(4) 0.3200(5) 0.0237(18) Uani 1 1 d . . .
O22 O 0.2280(3) 0.4740(4) 0.2220(5) 0.0228(19) Uani 1 1 d . . .
O23 O 0.2553(4) 0.3830(5) 0.4098(6) 0.041(2) Uani 1 1 d . . .
O24 O 0.1595(5) 0.4540(7) 0.3022(9) 0.090(5) Uani 1 1 d . . .
O31 O 0.3714(3) 0.3251(4) -0.0094(5) 0.0186(17) Uani 1 1 d . . .
O32 O 0.2760(3) 0.4053(4) -0.0567(5) 0.0194(17) Uani 1 1 d . . .
O33 O 0.3472(3) 0.2542(4) -0.1197(5) 0.0222(18) Uani 1 1 d . . .
O34 O 0.2432(3) 0.3394(4) -0.1699(5) 0.0275(19) Uani 1 1 d . . .
C1 C 0.3906(4) 0.6901(5) 0.0794(6) 0.012(2) Uani 1 1 d . . .
C2 C 0.4576(4) 0.6691(5) 0.1121(7) 0.012(2) Uani 1 1 d . . .
C3 C 0.2630(6) 0.4088(6) 0.3465(8) 0.028(3) Uani 1 1 d . . .
C4 C 0.2114(5) 0.4494(6) 0.2881(9) 0.032(3) Uani 1 1 d . . .
C5 C 0.2802(5) 0.3525(6) -0.1060(7) 0.018(2) Uani 1 1 d . . .
C6 C 0.3379(4) 0.3048(5) -0.0775(7) 0.017(2) Uani 1 1 d . . .
Pr1 Pr 0.46121(2) 0.84018(3) 0.04391(4) 0.01293(13) Uani 1 1 d . . .
O1 O 0.5672(3) 0.8516(4) 0.1220(5) 0.028(2) Uani 1 1 d . . .
O2 O 0.3926(3) 0.8130(4) -0.0924(5) 0.0204(17) Uani 1 1 d . . .
O3 O 0.5245(3) 0.7672(4) -0.0384(5) 0.0248(18) Uani 1 1 d . . .
O4 O 0.4440(4) 0.8528(4) 0.1897(5) 0.029(2) Uani 1 1 d . . .
O5 O 0.3612(3) 0.9069(4) 0.0343(5) 0.0223(18) Uani 1 1 d . . .
C7 C 0.4979(4) 1.0126(5) 0.0433(7) 0.016(2) Uani 1 1 d . . .
O41 O 0.4825(3) 0.9673(4) 0.0917(5) 0.0176(17) Uani 1 1 d . . .
O42 O 0.4918(3) 0.9224(4) -0.0592(5) 0.0184(16) Uani 1 1 d . . .
K1 K 0.23376(19) 0.7022(3) 0.0428(3) 0.0240(11) Uani 0.50 1 d PU . .
O1W O 0.5605(5) 0.8474(5) -0.1566(7) 0.056(3) Uani 1 1 d . . .
O2W O 0.4134(3) 0.3286(4) 0.4004(5) 0.0227(18) Uani 1 1 d . . .
O4W O 0.3687(4) 0.8905(5) -0.2332(6) 0.040(2) Uani 1 1 d . . .
O5W O 0.4086(5) 0.7297(5) 0.2405(6) 0.051(3) Uani 1 1 d . . .
O6W O 0.6283(4) 0.9723(5) 0.0879(7) 0.052(3) Uani 1 1 d . . .
O71W O 0.2914(10) 0.7713(13) 0.2154(15) 0.062(6) Uiso 0.50 1 d P . .
O72W O 0.2760(8) 0.7312(10) 0.1982(12) 0.036(4) Uiso 0.50 1 d P . .
O8W O 0.5000 1.0252(15) 0.2500 0.088(8) Uiso 0.70 2 d SP . .
O91W O 0.6494(7) 0.9432(8) -0.0555(11) 0.028(4) Uani 0.50 1 d P . .
O92W O 0.6575(10) 0.8805(12) -0.0349(14) 0.057(6) Uiso 0.50 1 d P . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pr Pr -0.2180 2.8214 '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'
K K 0.2009 0.2494 '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
_geom_angle_publ_flag
O12 W1 O11 75.8(2) . . ?
O12 W1 S1 80.57(18) . . ?
O11 W1 S1 156.16(19) . . ?
O12 W1 S4 135.9(2) . . ?
O11 W1 S4 84.95(18) . . ?
S1 W1 S4 110.56(9) . . ?
O12 W1 S6 132.6(2) . . ?
O11 W1 S6 88.3(2) . . ?
S1 W1 S6 110.38(9) . . ?
S4 W1 S6 85.02(9) . . ?
O12 W1 S7 87.9(2) . . ?
O11 W1 S7 97.0(2) . . ?
S1 W1 S7 85.09(9) . . ?
S4 W1 S7 134.26(9) . . ?
S6 W1 S7 49.55(8) . . ?
O12 W1 S5 90.9(2) . . ?
O11 W1 S5 91.0(2) . . ?
S1 W1 S5 86.22(9) . . ?
S4 W1 S5 49.58(9) . . ?
S6 W1 S5 134.42(8) . . ?
S7 W1 S5 171.31(8) . . ?
O12 W1 W3 124.08(19) . . ?
O11 W1 W3 139.57(18) . . ?
S1 W1 W3 55.23(6) . . ?
S4 W1 W3 55.86(6) . . ?
S6 W1 W3 96.90(6) . . ?
S7 W1 W3 116.75(6) . . ?
S5 W1 W3 57.32(6) . . ?
O12 W1 W2 122.37(17) . . ?
O11 W1 W2 143.8(2) . . ?
S1 W1 W2 55.02(6) . . ?
S4 W1 W2 96.38(6) . . ?
S6 W1 W2 56.02(6) . . ?
S7 W1 W2 56.88(6) . . ?
S5 W1 W2 117.23(6) . . ?
W3 W1 W2 59.991(15) . . ?
O22 W2 O21 75.2(3) . . ?
O22 W2 S1 82.4(2) . . ?
O21 W2 S1 157.6(2) . . ?
O22 W2 S2 132.1(2) . . ?
O21 W2 S2 85.6(2) . . ?
S1 W2 S2 110.47(9) . . ?
O22 W2 S6 134.1(2) . . ?
O21 W2 S6 85.7(2) . . ?
S1 W2 S6 110.24(8) . . ?
S2 W2 S6 86.04(8) . . ?
O22 W2 S7 90.0(2) . . ?
O21 W2 S7 94.0(2) . . ?
S1 W2 S7 85.38(9) . . ?
S2 W2 S7 135.42(8) . . ?
S6 W2 S7 49.61(8) . . ?
O22 W2 S3 88.4(2) . . ?
O21 W2 S3 94.7(2) . . ?
S1 W2 S3 85.04(9) . . ?
S2 W2 S3 49.48(8) . . ?
S6 W2 S3 135.18(8) . . ?
S7 W2 S3 170.41(9) . . ?
O22 W2 W3 124.3(2) . . ?
O21 W2 W3 141.1(2) . . ?
S1 W2 W3 55.18(6) . . ?
S2 W2 W3 56.02(7) . . ?
S6 W2 W3 96.63(6) . . ?
S7 W2 W3 116.96(6) . . ?
S3 W2 W3 57.01(7) . . ?
O22 W2 W1 125.2(2) . . ?
O21 W2 W1 140.9(2) . . ?
S1 W2 W1 55.09(6) . . ?
S2 W2 W1 97.14(6) . . ?
S6 W2 W1 55.81(6) . . ?
S7 W2 W1 57.27(6) . . ?
S3 W2 W1 116.67(7) . . ?
W3 W2 W1 59.814(15) . . ?
O32 W3 O31 75.7(3) . . ?
O32 W3 S1 82.6(2) . . ?
O31 W3 S1 158.3(2) . . ?
O32 W3 S4 133.4(2) . . ?
O31 W3 S4 85.07(19) . . ?
S1 W3 S4 110.75(8) . . ?
O32 W3 S2 133.0(2) . . ?
O31 W3 S2 84.9(2) . . ?
S1 W3 S2 110.31(9) . . ?
S4 W3 S2 85.57(8) . . ?
O32 W3 S3 89.1(2) . . ?
O31 W3 S3 94.0(2) . . ?
S1 W3 S3 85.21(9) . . ?
S4 W3 S3 134.90(9) . . ?
S2 W3 S3 49.57(9) . . ?
O32 W3 S5 89.3(2) . . ?
O31 W3 S5 93.8(2) . . ?
S1 W3 S5 86.23(8) . . ?
S4 W3 S5 49.64(9) . . ?
S2 W3 S5 135.03(9) . . ?
S3 W3 S5 171.42(8) . . ?
O32 W3 W1 124.65(19) . . ?
O31 W3 W1 140.55(18) . . ?
S1 W3 W1 55.23(6) . . ?
S4 W3 W1 56.07(6) . . ?
S2 W3 W1 97.36(6) . . ?
S3 W3 W1 117.40(7) . . ?
S5 W3 W1 57.34(6) . . ?
O32 W3 W2 124.99(19) . . ?
O31 W3 W2 140.3(2) . . ?
S1 W3 W2 55.10(7) . . ?
S4 W3 W2 96.66(6) . . ?
S2 W3 W2 55.94(6) . . ?
S3 W3 W2 57.36(7) . . ?
S5 W3 W2 117.45(6) . . ?
W1 W3 W2 60.195(15) . . ?
W2 S1 W1 69.88(7) . . ?
W2 S1 W3 69.72(7) . . ?
W1 S1 W3 69.54(6) . . ?
S3 S2 W2 67.40(10) . . ?
S3 S2 W3 67.05(11) . . ?
W2 S2 W3 68.05(7) . . ?
S2 S3 W3 63.38(10) . . ?
S2 S3 W2 63.12(10) . . ?
W3 S3 W2 65.63(6) . . ?
S5 S4 W3 67.49(10) . . ?
S5 S4 W1 67.38(10) . . ?
W3 S4 W1 68.07(6) . . ?
S4 S5 W3 62.87(10) . . ?
S4 S5 W1 63.04(10) . . ?
W3 S5 W1 65.34(7) . . ?
S7 S6 W1 67.33(11) . . ?
S7 S6 W2 66.87(10) . . ?
W1 S6 W2 68.17(7) . . ?
S6 S7 W2 63.52(10) . . ?
S6 S7 W1 63.12(10) . . ?
W2 S7 W1 65.85(7) . . ?
C2 O11 W1 115.9(6) . . ?
C1 O12 W1 118.2(6) . . ?
C2 O13 Pr1 117.2(6) . . ?
C1 O14 Pr1 119.8(6) . . ?
C3 O21 W2 118.2(7) . . ?
C4 O22 W2 119.5(7) . . ?
C6 O31 W3 118.0(6) . . ?
C5 O32 W3 119.1(6) . . ?
O14 C1 O12 124.1(9) . . ?
O14 C1 C2 120.7(8) . . ?
O12 C1 C2 115.2(8) . . ?
O13 C2 O11 127.8(9) . . ?
O13 C2 C1 117.4(8) . . ?
O11 C2 C1 114.7(8) . . ?
O23 C3 O21 124.9(12) . . ?
O23 C3 C4 122.3(10) . . ?
O21 C3 C4 112.8(10) . . ?
O24 C4 O22 124.1(12) . . ?
O24 C4 C3 121.9(11) . . ?
O22 C4 C3 113.9(9) . . ?
O34 C5 O32 125.1(10) . . ?
O34 C5 C6 121.5(10) . . ?
O32 C5 C6 113.4(9) . . ?
O33 C6 O31 127.0(9) . . ?
O33 C6 C5 119.3(10) . . ?
O31 C6 C5 113.7(9) . . ?
O1 Pr1 O42 87.2(3) . . ?
O1 Pr1 O4 77.9(3) . . ?
O42 Pr1 O4 135.1(2) . . ?
O1 Pr1 O14 131.4(3) . . ?
O42 Pr1 O14 139.1(2) . . ?
O4 Pr1 O14 75.3(3) . . ?
O1 Pr1 O5 136.8(2) . . ?
O42 Pr1 O5 90.0(2) . . ?
O4 Pr1 O5 74.1(3) . . ?
O14 Pr1 O5 71.1(2) . . ?
O1 Pr1 O41 69.6(2) . . ?
O42 Pr1 O41 64.7(2) . . ?
O4 Pr1 O41 70.4(2) . . ?
O14 Pr1 O41 133.8(2) . . ?
O5 Pr1 O41 70.3(2) . . ?
O1 Pr1 O2 147.1(3) . . ?
O42 Pr1 O2 73.0(2) . . ?
O4 Pr1 O2 134.4(3) . . ?
O14 Pr1 O2 66.6(2) . . ?
O5 Pr1 O2 70.6(2) . . ?
O41 Pr1 O2 121.0(2) . . ?
O1 Pr1 O3 76.1(3) . . ?
O42 Pr1 O3 73.5(2) . . ?
O4 Pr1 O3 139.7(2) . . ?
O14 Pr1 O3 100.2(2) . . ?
O5 Pr1 O3 143.4(3) . . ?
O41 Pr1 O3 126.0(2) . . ?
O2 Pr1 O3 73.3(2) . . ?
O1 Pr1 O13 70.5(2) . . ?
O42 Pr1 O13 137.7(2) . . ?
O4 Pr1 O13 76.0(2) . . ?
O14 Pr1 O13 64.1(2) . . ?
O5 Pr1 O13 130.9(2) . . ?
O41 Pr1 O13 132.0(2) . . ?
O2 Pr1 O13 107.0(2) . . ?
O3 Pr1 O13 66.6(2) . . ?
O41 C7 O42 125.5(10) . 5_675 ?
O41 C7 C7 117.3(11) . 5_675 ?
O42 C7 C7 117.1(11) 5_675 5_675 ?
C7 O41 Pr1 119.7(7) . . ?
C7 O42 Pr1 121.2(7) 5_675 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O12 2.074(6) . ?
W1 O11 2.156(6) . ?
W1 S1 2.365(2) . ?
W1 S4 2.413(2) . ?
W1 S6 2.413(3) . ?
W1 S7 2.497(3) . ?
W1 S5 2.499(3) . ?
W1 W3 2.6977(6) . ?
W1 W2 2.7081(5) . ?
W2 O22 2.081(6) . ?
W2 O21 2.139(8) . ?
W2 S1 2.363(3) . ?
W2 S2 2.414(3) . ?
W2 S6 2.419(2) . ?
W2 S7 2.486(3) . ?
W2 S3 2.498(3) . ?
W2 W3 2.7025(6) . ?
W3 O32 2.086(7) . ?
W3 O31 2.126(7) . ?
W3 S1 2.365(2) . ?
W3 S4 2.407(2) . ?
W3 S2 2.416(3) . ?
W3 S3 2.489(3) . ?
W3 S5 2.499(3) . ?
S2 S3 2.057(4) . ?
S4 S5 2.061(4) . ?
S6 S7 2.059(3) . ?
O11 C2 1.262(11) . ?
O12 C1 1.270(11) . ?
O13 C2 1.244(11) . ?
O13 Pr1 2.638(7) . ?
O14 C1 1.241(11) . ?
O14 Pr1 2.515(7) . ?
O21 C3 1.296(13) . ?
O22 C4 1.297(14) . ?
O23 C3 1.190(14) . ?
O24 C4 1.215(13) . ?
O31 C6 1.281(13) . ?
O32 C5 1.293(13) . ?
O33 C6 1.214(12) . ?
O34 C5 1.231(13) . ?
C1 C2 1.529(13) . ?
C3 C4 1.548(17) . ?
C5 C6 1.555(14) . ?
Pr1 O1 2.464(8) . ?
Pr1 O42 2.477(7) . ?
Pr1 O4 2.513(8) . ?
Pr1 O5 2.516(7) . ?
Pr1 O41 2.517(7) . ?
Pr1 O2 2.518(7) . ?
Pr1 O3 2.523(7) . ?
C7 O41 1.254(12) . ?
C7 O42 1.254(12) 5_675 ?
C7 C7 1.52(2) 5_675 ?
O42 C7 1.254(12) 5_675 ?
O71W O72W 0.85(2) . ?
O91W O92W 1.22(2) . ?
