#------------------------------------------------------------------------------
#$Date: 2014-01-12 10:33:14 +0000 (Sun, 12 Jan 2014) $
#$Revision: 92322 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/89/2238916.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_2238916
loop_
_publ_author_name
'Maaloui, Ahlem'
'Toumi, Samah Akriche'
'Rzaigui, Mohamed'
_publ_section_title
;
 Bis(4-aminopyridinium)
 \m~6~-oxido-dodeca-\m~2~-oxido-hexaoxido[rhenium(VII)tetratungsten(VI)vanadium(V)]ate
 heptahydrate
;
_journal_coeditor_code           RZ5088
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m661
_journal_page_last               m662
_journal_paper_doi               10.1107/S1600536813030687
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '(C5 H7 N2)2 [Re V W4 O19], 7H2 O'
_chemical_formula_moiety         '2(C5 H7 N2 +), O19 Re V W4 2-, 7(H2 O)'
_chemical_formula_sum            'C10 H28 N4 O26 Re V W4'
_chemical_formula_weight         1592.90
_chemical_name_systematic
;Bis(4-aminopyridinium)
\m~6~-oxido-dodeca-\m~2~-oxido-hexaoxido[rhenium(VII)tetratungsten(VI)vanadium(V)]ate heptahydrate
;
_space_group_IT_number           51
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.837(2)
_cell_length_b                   9.163(4)
_cell_length_c                   10.552(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      11
_cell_measurement_theta_min      9
_cell_volume                     1724.6(9)
_computing_cell_refinement       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1996)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg & Putz,
2005)
;
_computing_publication_material
;
WinGX (Farrugia, 2012)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       'non-profiled omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56087
_diffrn_reflns_av_R_equivalents  0.0516
_diffrn_reflns_av_sigmaI/netI    0.0825
_diffrn_reflns_limit_h_max       2
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -2
_diffrn_reflns_limit_l_max       2
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6539
_diffrn_reflns_theta_full        27.96
_diffrn_reflns_theta_max         27.96
_diffrn_reflns_theta_min         2.32
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    9.224
_exptl_absorpt_correction_T_max  0.3058
_exptl_absorpt_correction_T_min  0.0999
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.068
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1436
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.941
_refine_diff_density_min         -2.825
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     138
_refine_ls_number_reflns         4385
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.1631
_refine_ls_R_factor_gt           0.0691
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0813P)^2^+4.9537P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1544
_refine_ls_wR_factor_ref         0.1924
_reflns_number_gt                2083
_reflns_number_total             4385
_reflns_threshold_expression     I>2sigma(I)
_[local]_cod_data_source_file    rz5088.cif
_[local]_cod_data_source_block   I
_cod_original_cell_volume        1724.5(9)
_cod_database_code               2238916
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z'
'x+1/2, -y, -z'
'-x, y, -z'
'-x, -y, -z'
'x-1/2, y, -z'
'-x-1/2, y, z'
'x, -y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_group
W W1 0.37770(3) 0.0000 0.34550(7) 0.03479(18) Uani d S 1 2 .
W W2 0.2500 0.17748(8) 0.18441(8) 0.0497(2) Uani d S 1 2 .
Re Re1 0.2500 0.18032(13) 0.49071(13) 0.0505(3) Uani d SP 0.50 2 1
V V1 0.2500 0.18032(13) 0.49071(13) 0.0505(3) Uani d SP 0.50 2 2
O O1C 0.2500 0.0000 0.3367(12) 0.023(2) Uani d S 1 4 .
O O1E 0.2500 0.3071(16) 0.6049(16) 0.068(4) Uani d SD 1 2 .
O O2E 0.2500 0.3115(18) 0.0720(17) 0.081(5) Uani d S 1 2 .
O O3E 0.4740(6) 0.0000 0.3427(13) 0.050(3) Uani d S 1 2 .
O O1 0.2500 0.0000 0.0922(13) 0.048(4) Uani d S 1 4 .
O O2 0.3545(4) 0.1420(9) 0.2154(9) 0.0466(19) Uani d . 1 1 .
O O3 0.2500 0.2888(11) 0.3345(12) 0.042(3) Uani d S 1 2 .
O O4 0.3529(3) 0.1446(8) 0.4650(8) 0.0375(16) Uani d . 1 1 .
O O5 0.2500 0.0000 0.5902(15) 0.039(3) Uani d S 1 4 .
N N1 0.3903(7) 0.5000 0.6867(14) 0.057(4) Uani d SD 1 2 .
H H1A 0.3422 0.5000 0.6901 0.068 Uiso calc SRD 1 2 .
N N2 0.6091(7) 0.5000 0.6435(17) 0.057(4) Uani d SD 1 2 .
H H2A 0.6343 0.4198 0.649 0.069 Uiso calc RD 1 1 .
C C1 0.4219(6) 0.6284(14) 0.6845(14) 0.056(3) Uani d D 1 1 .
H H1 0.3939 0.7134 0.6938 0.067 Uiso calc R 1 1 .
C C2 0.4963(6) 0.6327(12) 0.6681(13) 0.043(3) Uani d . 1 1 .
H H2 0.5214 0.7216 0.6642 0.052 Uiso calc R 1 1 .
C C3 0.5363(7) 0.5000 0.6570(16) 0.038(3) Uani d SD 1 2 .
O O1W 0.2500 0.5000 0.8564(14) 0.063(6) Uani d SD 1 4 .
H H1W1 0.2500 0.4226 0.8198 0.095 Uiso calc SD 1 2 .
O O2W 0.3772(8) 0.0000 0.7518(15) 0.079(5) Uani d SD 1 2 .
H H1W2 0.410 0.0000 0.694 0.119 Uiso calc SD 1 2 .
H H2W2 0.332 0.0000 0.727 0.119 Uiso calc SD 1 2 .
O O3W 0.553(3) 0.5000 0.960(5) 0.27(3) Uiso d S 1 2 .
H H1W3 0.5644 0.5876 0.9741 0.402 Uiso calc D 1 1 .
O O4W 0.429(4) 0.0000 0.962(6) 0.34(3) Uiso d SD 1 2 .
H H1W4 0.386 0.0000 0.928 0.510 Uiso calc SD 1 2 .
H H2W4 0.466 0.0000 0.910 0.510 Uiso calc SD 1 2 .
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
W1 0.0230(2) 0.0289(3) 0.0525(4) 0.000 0.0066(2) 0.000
W2 0.0455(4) 0.0462(4) 0.0574(5) 0.000 0.000 0.0195(3)
Re1 0.0337(5) 0.0436(6) 0.0743(8) 0.000 0.000 -0.0133(5)
V1 0.0337(5) 0.0436(6) 0.0743(8) 0.000 0.000 -0.0133(5)
O1C 0.019(4) 0.017(5) 0.032(6) 0.000 0.000 0.000
O1E 0.035(5) 0.062(9) 0.108(12) 0.000 0.000 -0.029(9)
O2E 0.083(11) 0.078(11) 0.082(10) 0.000 0.000 0.065(9)
O3E 0.023(4) 0.046(6) 0.081(9) 0.000 0.012(5) 0.000
O1 0.066(10) 0.061(11) 0.016(6) 0.000 0.000 0.000
O2 0.040(4) 0.037(4) 0.063(5) 0.000(4) 0.013(4) 0.006(4)
O3 0.030(4) 0.021(4) 0.076(8) 0.000 0.000 0.000(5)
O4 0.019(2) 0.030(3) 0.063(5) 0.000(3) 0.001(3) -0.012(3)
O5 0.027(6) 0.047(9) 0.043(8) 0.000 0.000 0.000
N1 0.028(6) 0.076(12) 0.066(11) 0.000 -0.006(6) 0.000
N2 0.029(5) 0.077(12) 0.066(10) 0.000 0.013(6) 0.000
C1 0.033(5) 0.053(7) 0.080(10) 0.017(5) -0.014(5) 0.006(7)
C2 0.037(4) 0.023(4) 0.069(8) 0.001(4) 0.003(5) -0.001(5)
C3 0.029(5) 0.029(6) 0.056(9) 0.000 -0.015(6) 0.000
O1W 0.034(7) 0.13(2) 0.027(8) 0.000 0.000 0.000
O2W 0.057(8) 0.109(14) 0.071(11) 0.000 0.007(7) 0.000
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0015 0.0009 '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 0.0030 0.0019 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0056 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -0.4693 4.8944 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.2276 0.3376 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.4201 4.6430 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-2 3 -8
-2 -3 -8
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
W1 O1C W1 . 2 175.3(6)
W1 O1C W2 . 2 91.6(2)
W1 O1C W2 2 2 91.6(2)
W1 O1C W2 . . 91.6(2)
W1 O1C W2 2 . 91.6(2)
W2 O1C W2 2 . 90.7(4)
W1 O1C Re1 . . 88.4(2)
W1 O1C Re1 2 . 88.4(2)
W2 O1C Re1 2 . 179.9(4)
W2 O1C Re1 . . 89.19(5)
W1 O1C V1 . 2 88.4(2)
W1 O1C V1 2 2 88.4(2)
W2 O1C V1 2 2 89.19(5)
W2 O1C V1 . 2 179.9(4)
Re1 O1C V1 . 2 90.9(4)
W1 O1C Re1 . 2 88.4(2)
W1 O1C Re1 2 2 88.4(2)
W2 O1C Re1 2 2 89.19(5)
W2 O1C Re1 . 2 179.9(4)
Re1 O1C Re1 . 2 90.9(4)
W2 O3 Re1 . . 116.1(5)
W1 O4 Re1 . . 116.6(4)
V1 O5 Re1 2 . 115.1(8)
Re1 O5 Re1 2 . 115.1(8)
W2 O2 W1 . . 116.2(4)
W2 O1 W2 . 2 118.2(7)
N2 C3 C2 . 8_565 120.6(6)
N2 C3 C2 . . 120.6(6)
C2 C3 C2 8_565 . 118.6(12)
C1 C2 C3 . . 119.0(11)
C1 C2 H2 . . 120.5
C3 C2 H2 . . 120.5
N1 C1 C2 . . 117.1(12)
N1 C1 H1 . . 121.4
C2 C1 H1 . . 121.4
C1 N1 C1 8_565 . 128.8(14)
C1 N1 H1A 8_565 . 115.6
C1 N1 H1A . . 115.6
O3E W1 O4 . . 104.2(4)
O3E W1 O4 . 8 104.2(4)
O4 W1 O4 . 8 89.5(5)
O3E W1 O2 . 8 101.6(4)
O4 W1 O2 . 8 154.0(3)
O4 W1 O2 8 8 87.3(4)
O3E W1 O2 . . 101.6(4)
O4 W1 O2 . . 87.3(4)
O4 W1 O2 8 . 154.0(3)
O2 W1 O2 8 . 84.4(5)
O3E W1 O1C . . 176.7(6)
O4 W1 O1C . . 78.1(3)
O4 W1 O1C 8 . 78.1(3)
O2 W1 O1C 8 . 76.0(3)
O2 W1 O1C . . 76.0(3)
O3E W1 Re1 . 2 136.0(3)
O4 W1 Re1 . 2 82.9(2)
O4 W1 Re1 8 2 31.75(19)
O2 W1 Re1 8 2 80.8(2)
O2 W1 Re1 . 2 122.3(2)
O1C W1 Re1 . 2 46.3(2)
O3E W1 Re1 . . 136.0(3)
O4 W1 Re1 . . 31.75(19)
O4 W1 Re1 8 . 82.9(2)
O2 W1 Re1 8 . 122.3(2)
O2 W1 Re1 . . 80.8(2)
O1C W1 Re1 . . 46.3(2)
Re1 W1 Re1 2 . 62.09(5)
O2E W2 O3 . . 101.2(8)
O2E W2 O1 . . 105.1(8)
O3 W2 O1 . . 153.7(5)
O2E W2 O2 . . 103.9(3)
O3 W2 O2 . . 87.1(3)
O1 W2 O2 . . 86.7(3)
O2E W2 O2 . 7_655 103.9(3)
O3 W2 O2 . 7_655 87.1(3)
O1 W2 O2 . 7_655 86.7(3)
O2 W2 O2 . 7_655 152.2(5)
O2E W2 O1C . . 179.4(7)
O3 W2 O1C . . 78.1(4)
O1 W2 O1C . . 75.6(4)
O2 W2 O1C . . 76.1(3)
O2 W2 O1C 7_655 . 76.1(3)
O2E W2 Re1 . . 133.6(7)
O3 W2 Re1 . . 32.3(3)
O1 W2 Re1 . . 121.4(4)
O2 W2 Re1 . . 80.3(3)
O2 W2 Re1 7_655 . 80.3(3)
O1C W2 Re1 . . 45.8(2)
O1E Re1 O4 . . 102.9(2)
O1E Re1 O4 . 7_655 102.9(2)
O4 Re1 O4 . 7_655 154.0(4)
O1E Re1 O3 . . 105.0(7)
O4 Re1 O3 . . 88.1(3)
O4 Re1 O3 7_655 . 88.1(3)
O1E Re1 O5 . . 101.5(7)
O4 Re1 O5 . . 86.0(3)
O4 Re1 O5 7_655 . 86.0(3)
O3 Re1 O5 . . 153.5(5)
O1E Re1 O1C . . 178.5(7)
O4 Re1 O1C . . 77.0(2)
O4 Re1 O1C 7_655 . 77.0(2)
O3 Re1 O1C . . 76.6(4)
O5 Re1 O1C . . 77.0(4)
O1E Re1 W1 . 2 134.60(4)
O4 Re1 W1 . 2 122.3(2)
O4 Re1 W1 7_655 2 31.7(2)
O3 Re1 W1 . 2 81.8(2)
O5 Re1 W1 . 2 79.7(3)
O1C Re1 W1 . 2 45.33(2)
O1E Re1 W1 . . 134.60(4)
O4 Re1 W1 . . 31.7(2)
O4 Re1 W1 7_655 . 122.3(2)
O3 Re1 W1 . . 81.8(2)
O5 Re1 W1 . . 79.7(3)
O1C Re1 W1 . . 45.33(2)
W1 Re1 W1 2 . 90.62(4)
O1E Re1 W2 . . 136.5(6)
O4 Re1 W2 . . 81.7(3)
O4 Re1 W2 7_655 . 81.7(3)
O3 Re1 W2 . . 31.5(3)
O5 Re1 W2 . . 122.0(4)
O1C Re1 W2 . . 45.0(2)
W1 Re1 W2 2 . 61.16(3)
W1 Re1 W2 . . 61.16(3)
C3 N2 H2A . . 121
H1W2 O2W H2W2 . . 116
H1W4 O4W H2W4 . . 116
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
O1C W1 . 2.2796(8)
O1C W1 2 2.2796(8)
O1C W2 2 2.286(9)
O1C W2 . 2.286(9)
O1C Re1 . 2.318(9)
O1C V1 2 2.318(9)
O1C Re1 2 2.318(9)
O3 W2 . 1.883(12)
O3 Re1 . 1.925(12)
O1E Re1 . 1.674(14)
O4 W1 . 1.882(7)
O4 Re1 . 1.885(6)
O5 V1 2 1.958(9)
O5 Re1 2 1.958(9)
O5 Re1 . 1.958(9)
O3E W1 . 1.718(10)
O2 W2 . 1.921(8)
O2 W1 . 1.936(9)
O1 W2 . 1.895(7)
O1 W2 2 1.895(7)
C3 N2 . 1.307(17)
C3 C2 8_565 1.414(12)
C3 C2 . 1.414(12)
C2 C1 . 1.339(15)
C2 H2 . 0.9300
C1 N1 . 1.305(13)
C1 H1 . 0.9300
N1 C1 8_565 1.305(13)
N1 H1A . 0.8600
O2E W2 . 1.707(12)
W1 O4 8 1.882(7)
W1 O2 8 1.936(9)
W1 Re1 2 3.2040(11)
W1 Re1 . 3.2040(11)
W2 O2 7_655 1.921(8)
W2 Re1 . 3.2322(18)
Re1 O4 7_655 1.885(6)
Re1 W1 2 3.2040(11)
N2 H2A . 0.8600
O1W H1W1 . 0.81
O2W H1W2 . 0.85
O2W H2W2 . 0.85
O3W H1W3 . 0.84
O4W H1W4 . 0.85
O4W H2W4 . 0.85
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N1 H1A O1W . 0.86 2.40 3.078(14) 136
N1 H1A O1E . 0.86 2.58 3.184(14) 129
N2 H2A O3 6_656 0.86 2.39 3.181(12) 152
O1W H1W1 O1E . 0.81 2.50 3.188(18) 144
O2W H1W2 O3E 5_656 0.85 2.10 2.836(18) 144
O4W H1W4 O2W . 0.85 1.87 2.40(7) 119
O4W H2W4 O4W 5_657 0.85 2.31 2.65(15) 106
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
N2 C3 C2 C1 . . -178.7(16)
C2 C3 C2 C1 8_565 . -2(3)
C3 C2 C1 N1 . . -1(2)
C2 C1 N1 C1 . 8_565 6(3)
Re1 O4 W1 O3E . . 178.3(5)
Re1 O4 W1 O4 . 8 -77.1(5)
Re1 O4 W1 O2 . 8 5.6(11)
Re1 O4 W1 O2 . . 77.0(5)
Re1 O4 W1 O1C . . 0.7(4)
Re1 O4 W1 Re1 . 2 -46.0(4)
W2 O2 W1 O3E . . 179.7(5)
W2 O2 W1 O4 . . -76.3(5)
W2 O2 W1 O4 . 8 6.9(12)
W2 O2 W1 O2 . 8 78.9(5)
W2 O2 W1 O1C . . 2.0(4)
W2 O2 W1 Re1 . 2 3.5(6)
W2 O2 W1 Re1 . . -45.1(4)
W2 O1C W1 O4 2 . 179.3(4)
W2 O1C W1 O4 . . 88.6(3)
Re1 O1C W1 O4 . . -0.5(3)
V1 O1C W1 O4 2 . -91.5(4)
Re1 O1C W1 O4 2 . -91.5(4)
W2 O1C W1 O4 2 8 -88.6(3)
W2 O1C W1 O4 . 8 -179.3(4)
Re1 O1C W1 O4 . 8 91.5(4)
V1 O1C W1 O4 2 8 0.5(3)
Re1 O1C W1 O4 2 8 0.5(3)
W2 O1C W1 O2 2 8 1.5(3)
W2 O1C W1 O2 . 8 -89.2(4)
Re1 O1C W1 O2 . 8 -178.3(4)
V1 O1C W1 O2 2 8 90.7(3)
Re1 O1C W1 O2 2 8 90.7(3)
W2 O1C W1 O2 2 . 89.2(4)
W2 O1C W1 O2 . . -1.5(3)
Re1 O1C W1 O2 . . -90.7(3)
V1 O1C W1 O2 2 . 178.3(4)
Re1 O1C W1 O2 2 . 178.3(4)
W2 O1C W1 Re1 2 2 -89.14(5)
W2 O1C W1 Re1 . 2 -179.9(4)
Re1 O1C W1 Re1 . 2 91.0(4)
V1 O1C W1 Re1 2 2 0.0
W2 O1C W1 Re1 2 . 179.9(4)
W2 O1C W1 Re1 . . 89.14(5)
V1 O1C W1 Re1 2 . -91.0(4)
Re1 O1C W1 Re1 2 . -91.0(4)
Re1 O3 W2 O2 . . -76.4(2)
Re1 O3 W2 O2 . 7_655 76.4(2)
W2 O1 W2 O2 2 . 76.5(3)
W2 O1 W2 O2 2 7_655 -76.5(3)
W1 O2 W2 O2E . . 177.3(8)
W1 O2 W2 O3 . . 76.5(6)
W1 O2 W2 O1 . . -78.0(6)
W1 O2 W2 O2 . 7_655 -1.5(16)
W1 O2 W2 O1C . . -2.0(4)
W1 O2 W2 Re1 . . 44.6(4)
W1 O1C W2 O2 . . 1.5(3)
W1 O1C W2 O2 2 . 178.2(4)
Re1 O1C W2 O2 . . 89.9(3)
W1 O1C W2 O2 . 7_655 -178.2(4)
W1 O1C W2 O2 2 7_655 -1.5(3)
Re1 O1C W2 O2 . 7_655 -89.9(3)
W1 O4 Re1 O1E . . 177.7(7)
W1 O4 Re1 O4 . 7_655 4.3(15)
W1 O4 Re1 O3 . . -77.4(5)
W1 O4 Re1 O5 . . 76.8(6)
W1 O4 Re1 O1C . . -0.7(4)
W1 O4 Re1 W1 . 2 1.6(6)
W1 O4 Re1 W2 . . -46.3(4)
W2 O3 Re1 O4 . . 77.1(2)
W2 O3 Re1 O4 . 7_655 -77.1(2)
W2 O3 Re1 W1 . 2 -45.92(4)
W2 O3 Re1 W1 . . 45.92(4)
V1 O5 Re1 O4 2 . -77.6(2)
Re1 O5 Re1 O4 2 . -77.6(2)
V1 O5 Re1 O4 2 7_655 77.6(2)
Re1 O5 Re1 O4 2 7_655 77.6(2)
V1 O5 Re1 W1 2 2 46.26(5)
Re1 O5 Re1 W1 2 2 46.26(5)
V1 O5 Re1 W1 2 . -46.26(5)
Re1 O5 Re1 W1 2 . -46.26(5)
W1 O1C Re1 O4 . . 0.5(3)
W1 O1C Re1 O4 2 . 177.2(4)
V1 O1C Re1 O4 2 . 88.9(3)
Re1 O1C Re1 O4 2 . 88.9(3)
W1 O1C Re1 O4 . 7_655 -177.2(4)
W1 O1C Re1 O4 2 7_655 -0.5(3)
V1 O1C Re1 O4 2 7_655 -88.9(3)
Re1 O1C Re1 O4 2 7_655 -88.9(3)
W1 O1C Re1 O5 . . -88.3(2)
W1 O1C Re1 O5 2 . 88.3(2)
W1 O1C Re1 W1 . 2 -176.7(4)
V1 O1C Re1 W1 2 2 -88.3(2)
Re1 O1C Re1 W1 2 2 -88.3(2)
W1 O1C Re1 W1 2 . 176.7(4)
V1 O1C Re1 W1 2 . 88.3(2)
Re1 O1C Re1 W1 2 . 88.3(2)
W1 O1C Re1 W2 . . 91.7(2)
W1 O1C Re1 W2 2 . -91.7(2)
O3E W1 Re1 O1E . . -5.6(10)
O4 W1 Re1 O1E . . -3.2(10)
O4 W1 Re1 O1E 8 . 97.6(9)
O2 W1 Re1 O1E . . -102.8(9)
O1C W1 Re1 O1E . . 177.8(9)
Re1 W1 Re1 O1E 2 . 122.9(9)
O3E W1 Re1 O4 . . -2.4(7)
O4 W1 Re1 O4 8 . 100.7(7)
O2 W1 Re1 O4 8 . -177.1(6)
O2 W1 Re1 O4 . . -99.7(6)
O1C W1 Re1 O4 . . -179.0(6)
Re1 W1 Re1 O4 2 . 126.1(5)
O3E W1 Re1 O4 . 7_655 179.8(6)
O4 W1 Re1 O4 . 7_655 -177.8(8)
O4 W1 Re1 O4 8 7_655 -77.05(19)
O2 W1 Re1 O4 8 7_655 5.1(4)
O2 W1 Re1 O4 . 7_655 82.5(4)
O1C W1 Re1 O4 . 7_655 3.2(4)
Re1 W1 Re1 O4 2 7_655 -51.7(3)
O3E W1 Re1 O3 . . 97.4(5)
O4 W1 Re1 O3 . . 99.8(5)
O4 W1 Re1 O3 8 . -159.5(3)
O2 W1 Re1 O3 8 . -77.3(4)
O2 W1 Re1 O3 . . 0.1(3)
O1C W1 Re1 O3 . . -79.2(4)
Re1 W1 Re1 O3 2 . -134.1(2)
O3E W1 Re1 O5 . . -101.6(6)
O4 W1 Re1 O5 . . -99.2(6)
O4 W1 Re1 O5 8 . 1.5(4)
O2 W1 Re1 O5 8 . 83.7(4)
O2 W1 Re1 O5 . . 161.1(4)
O1C W1 Re1 O5 . . 81.8(4)
Re1 W1 Re1 O5 2 . 26.9(3)
O3E W1 Re1 O1C . . 176.6(6)
O4 W1 Re1 O1C . . 179.0(6)
O4 W1 Re1 O1C 8 . -80.3(4)
O2 W1 Re1 O1C 8 . 1.9(4)
O2 W1 Re1 O1C . . 79.3(4)
Re1 W1 Re1 O1C 2 . -54.9(3)
O3E W1 Re1 W1 . 2 179.0(5)
O4 W1 Re1 W1 . 2 -178.6(5)
O4 W1 Re1 W1 8 2 -77.9(2)
O2 W1 Re1 W1 8 2 4.3(3)
O2 W1 Re1 W1 . 2 81.7(3)
O1C W1 Re1 W1 . 2 2.4(3)
Re1 W1 Re1 W1 2 2 -52.53(4)
O3E W1 Re1 W2 . . 122.8(5)
O4 W1 Re1 W2 . . 125.2(5)
O4 W1 Re1 W2 8 . -134.1(2)
O2 W1 Re1 W2 8 . -51.9(3)
O2 W1 Re1 W2 . . 25.5(3)
O1C W1 Re1 W2 . . -53.8(3)
Re1 W1 Re1 W2 2 . -108.71(2)
O2 W2 Re1 O1E . . 100.0(3)
O2 W2 Re1 O1E 7_655 . -100.0(3)
O2E W2 Re1 O4 . . -100.0(2)
O3 W2 Re1 O4 . . -100.0(2)
O1 W2 Re1 O4 . . 80.0(2)
O2 W2 Re1 O4 . . -0.1(3)
O2 W2 Re1 O4 7_655 . 160.0(3)
O1C W2 Re1 O4 . . 80.0(2)
O2E W2 Re1 O4 . 7_655 100.0(2)
O3 W2 Re1 O4 . 7_655 100.0(2)
O1 W2 Re1 O4 . 7_655 -80.0(2)
O2 W2 Re1 O4 . 7_655 -160.0(3)
O2 W2 Re1 O4 7_655 7_655 0.1(3)
O1C W2 Re1 O4 . 7_655 -80.0(2)
O2E W2 Re1 O3 . . 0.000(2)
O1 W2 Re1 O3 . . 180.000(2)
O2 W2 Re1 O3 . . 100.0(3)
O2 W2 Re1 O3 7_655 . -100.0(3)
O1C W2 Re1 O3 . . 180.000(2)
O2E W2 Re1 O5 . . 180.0000(10)
O3 W2 Re1 O5 . . 180.0000(10)
O1 W2 Re1 O5 . . 0.0000(10)
O2 W2 Re1 O5 . . -80.0(3)
O2 W2 Re1 O5 7_655 . 80.0(3)
O1C W2 Re1 O5 . . 0.0000(10)
O2E W2 Re1 O1C . . 180.0
O3 W2 Re1 O1C . . 180.0
O1 W2 Re1 O1C . . 0.0
O2 W2 Re1 O1C . . -80.0(3)
O2 W2 Re1 O1C 7_655 . 80.0(3)
O2E W2 Re1 W1 . 2 125.752(18)
O3 W2 Re1 W1 . 2 125.752(18)
O1 W2 Re1 W1 . 2 -54.248(18)
O2 W2 Re1 W1 . 2 -134.3(3)
O2 W2 Re1 W1 7_655 2 25.8(3)
O1C W2 Re1 W1 . 2 -54.248(18)
O2E W2 Re1 W1 . . -125.752(18)
O3 W2 Re1 W1 . . -125.752(18)
O1 W2 Re1 W1 . . 54.248(18)
O2 W2 Re1 W1 . . -25.8(3)
O2 W2 Re1 W1 7_655 . 134.3(3)
O1C W2 Re1 W1 . . 54.248(18)