#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:41:30 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179419 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/16/4331664.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_4331664
loop_
_publ_author_name
'Rys, Andrzej Z.'
'Lebuis, Anne-Marie'
'Shaver, Alan'
_publ_section_title
;
 Rearrangement of Molybdocene Tetraoxotetrasulfide Cp2MoS4O4to Give
 [(Cp2MoS2H)2](HSO4)2:  A Novel Proton-Stabilized Molybdocene
 Disulfide Dimer
;
_journal_issue                   1
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              341
_journal_page_last               344
_journal_paper_doi               10.1021/ic051332d
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C20 H28 Mo2 O10 S6'
_chemical_formula_sum            'C20 H28 Mo2 O10 S6'
_chemical_formula_weight         812.68
_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                109.95(3)
_cell_angle_beta                 96.11(3)
_cell_angle_gamma                108.22(3)
_cell_formula_units_Z            1
_cell_length_a                   6.751(2)
_cell_length_b                   9.865(4)
_cell_length_c                   11.549(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      20
_cell_volume                     666.9(5)
_computing_cell_refinement       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_collection       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_reduction        'NRC-2, NRC-2A (Ahmed et al, 1973)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'ENRAF-NONIUS CAD-4'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           'Cu k\a'
_diffrn_radiation_wavelength     1.54056
_diffrn_reflns_av_R_equivalents  0.063
_diffrn_reflns_av_sigmaI/netI    0.1124
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            21647
_diffrn_reflns_theta_full        69.81
_diffrn_reflns_theta_max         69.81
_diffrn_reflns_theta_min         4.19
_diffrn_standards_decay_%        1.2
_diffrn_standards_interval_time  3600
_diffrn_standards_number         5
_exptl_absorpt_coefficient_mu    12.689
_exptl_absorpt_correction_T_max  0.3384
_exptl_absorpt_correction_T_min  0.0929
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'ABSORP in NRCVAX (Gabe et al, 1989)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    2.023
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             408
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.685
_refine_diff_density_min         -1.009
_refine_diff_density_rms         0.126
_refine_ls_extinction_coef       0.034(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     182
_refine_ls_number_reflns         2529
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0678P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1121
_refine_ls_wR_factor_ref         0.1152
_reflns_number_gt                2263
_reflns_number_total             2529
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051332dsup1.cif
_cod_data_source_block           harp67
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Gaussian'
changed to 'gaussian' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        666.9(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4331664
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo Mo 0.25172(6) 0.74258(3) 0.15386(3) 0.0547(2) Uani 1 1 d . . .
S1 S -0.1350(2) 0.63817(13) 0.11735(9) 0.0618(3) Uani 1 1 d . . .
S2 S 0.28024(19) 0.49163(12) 0.06742(10) 0.0597(3) Uani 1 1 d . . .
C1 C 0.2280(12) 0.6853(8) 0.3318(5) 0.091(2) Uani 1 1 d . . .
H1 H 0.1297 0.5905 0.3241 0.109 Uiso 1 1 calc R . .
C2 C 0.1909(13) 0.8229(10) 0.3554(5) 0.096(2) Uani 1 1 d . . .
H2 H 0.0627 0.8354 0.3673 0.116 Uiso 1 1 calc R . .
C3 C 0.3698(13) 0.9340(7) 0.3580(4) 0.0883(19) Uani 1 1 d . . .
H3 H 0.3863 1.0356 0.3704 0.106 Uiso 1 1 calc R . .
C4 C 0.5245(12) 0.8704(9) 0.3388(5) 0.094(2) Uani 1 1 d . . .
H4 H 0.6643 0.9234 0.3373 0.113 Uiso 1 1 calc R . .
C5 C 0.4415(14) 0.7173(8) 0.3221(5) 0.093(2) Uani 1 1 d . . .
H5 H 0.5128 0.6484 0.3072 0.111 Uiso 1 1 calc R . .
C6 C 0.4231(10) 0.7691(7) -0.0079(5) 0.0755(14) Uani 1 1 d . . .
H6 H 0.4966 0.7058 -0.0432 0.091 Uiso 1 1 calc R . .
C7 C 0.2063(10) 0.7402(6) -0.0490(4) 0.0731(14) Uani 1 1 d . . .
H7 H 0.1084 0.6521 -0.1161 0.088 Uiso 1 1 calc R . .
C8 C 0.1613(11) 0.8636(8) 0.0258(6) 0.0859(17) Uani 1 1 d . . .
H8 H 0.0291 0.8743 0.0168 0.103 Uiso 1 1 calc R . .
C9 C 0.3454(16) 0.9685(6) 0.1164(6) 0.101(3) Uani 1 1 d . . .
H9 H 0.3591 1.0617 0.1800 0.121 Uiso 1 1 calc R . .
C10 C 0.5079(11) 0.9106(8) 0.0961(6) 0.090(2) Uani 1 1 d . . .
H10 H 0.6490 0.9585 0.1440 0.108 Uiso 1 1 calc R . .
S3 S 0.0620(3) 0.22495(16) 0.34456(14) 0.0794(4) Uani 1 1 d D . .
O1 O 0.1794(9) 0.2648(6) 0.4794(4) 0.1050(16) Uani 1 1 d . A .
H11 H 0.2284 0.3593 0.5189 0.157 Uiso 1 1 calc R . .
O2 O 0.2156(11) 0.2994(8) 0.2857(6) 0.145(3) Uani 1 1 d . A .
O31 O -0.1324(18) 0.2516(16) 0.3568(17) 0.118(5) Uani 0.55 1 d PD A 1
O32 O -0.065(3) 0.314(2) 0.339(2) 0.125(6) Uani 0.45 1 d PD A 2
O4 O -0.0127(10) 0.0605(6) 0.2807(6) 0.1155(18) Uani 1 1 d . A .
O5 O 0.3520(11) 0.5496(7) 0.6324(6) 0.128(2) Uani 1 1 d . . .
H52 H 0.4797 0.6543 0.6521 0.170 Uiso 1 1 d . . .
H53 H 0.2572 0.5920 0.6428 0.170 Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 '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
C2 Mo C1 35.1(3) .
C2 Mo C3 33.7(3) .
C1 Mo C3 57.6(2) .
C2 Mo C9 102.9(3) .
C1 Mo C9 135.2(2) .
C3 Mo C9 77.9(2) .
C2 Mo C7 149.8(3) .
C1 Mo C7 165.8(2) .
C3 Mo C7 135.2(2) .
C9 Mo C7 57.3(2) .
C2 Mo C10 120.9(3) .
C1 Mo C10 136.1(2) .
C3 Mo C10 87.6(3) .
C9 Mo C10 34.9(3) .
C7 Mo C10 57.51(19) .
C2 Mo C4 56.4(3) .
C1 Mo C4 57.1(2) .
C3 Mo C4 34.5(3) .
C9 Mo C4 89.8(3) .
C7 Mo C4 136.4(2) .
C10 Mo C4 79.0(2) .
C2 Mo C8 116.4(3) .
C1 Mo C8 149.8(3) .
C3 Mo C8 104.8(2) .
C9 Mo C8 34.3(2) .
C7 Mo C8 34.3(2) .
C10 Mo C8 57.4(2) .
C4 Mo C8 123.9(3) .
C2 Mo C5 57.8(3) .
C1 Mo C5 35.0(3) .
C3 Mo C5 57.7(2) .
C9 Mo C5 123.7(3) .
C7 Mo C5 151.0(3) .
C10 Mo C5 105.4(3) .
C4 Mo C5 34.2(3) .
C8 Mo C5 158.0(3) .
C2 Mo C6 155.4(3) .
C1 Mo C6 151.6(3) .
C3 Mo C6 121.9(3) .
C9 Mo C6 57.8(2) .
C7 Mo C6 34.8(2) .
C10 Mo C6 34.6(2) .
C4 Mo C6 105.1(2) .
C8 Mo C6 57.5(2) .
C5 Mo C6 117.6(3) .
C2 Mo S2 117.6(2) .
C1 Mo S2 82.7(2) .
C3 Mo S2 131.44(17) .
C9 Mo S2 137.66(19) .
C7 Mo S2 88.67(15) .
C10 Mo S2 107.3(2) .
C4 Mo S2 102.0(2) .
C8 Mo S2 122.41(18) .
C5 Mo S2 73.70(17) .
C6 Mo S2 79.89(15) .
C2 Mo S1 76.1(2) .
C1 Mo S1 81.53(19) .
C3 Mo S1 104.8(2) .
C9 Mo S1 107.3(3) .
C7 Mo S1 87.92(16) .
C10 Mo S1 137.45(18) .
C4 Mo S1 132.18(19) .
C8 Mo S1 80.01(17) .
C5 Mo S1 115.7(2) .
C6 Mo S1 121.98(16) .
S2 Mo S1 94.59(6) .
S2 S1 Mo 112.29(7) 2_565
S1 S2 Mo 116.00(7) 2_565
C2 C1 C5 107.0(6) .
C2 C1 Mo 72.3(3) .
C5 C1 Mo 73.3(3) .
C2 C1 H1 126.5 .
C5 C1 H1 126.5 .
Mo C1 H1 119.7 .
C3 C2 C1 109.2(7) .
C3 C2 Mo 73.3(3) .
C1 C2 Mo 72.6(3) .
C3 C2 H2 125.4 .
C1 C2 H2 125.4 .
Mo C2 H2 120.4 .
C2 C3 C4 107.6(6) .
C2 C3 Mo 73.0(3) .
C4 C3 Mo 73.1(3) .
C2 C3 H3 126.2 .
C4 C3 H3 126.2 .
Mo C3 H3 119.6 .
C5 C4 C3 109.9(7) .
C5 C4 Mo 73.5(3) .
C3 C4 Mo 72.5(3) .
C5 C4 H4 125.1 .
C3 C4 H4 125.1 .
Mo C4 H4 120.7 .
C4 C5 C1 106.3(6) .
C4 C5 Mo 72.4(3) .
C1 C5 Mo 71.6(3) .
C4 C5 H5 126.8 .
C1 C5 H5 126.8 .
Mo C5 H5 121.0 .
C10 C6 C7 106.7(6) .
C10 C6 Mo 71.8(3) .
C7 C6 Mo 71.7(3) .
C10 C6 H6 126.7 .
C7 C6 H6 126.7 .
Mo C6 H6 121.7 .
C8 C7 C6 108.8(5) .
C8 C7 Mo 73.4(3) .
C6 C7 Mo 73.5(3) .
C8 C7 H7 125.6 .
C6 C7 H7 125.6 .
Mo C7 H7 119.3 .
C9 C8 C7 108.2(6) .
C9 C8 Mo 72.3(3) .
C7 C8 Mo 72.3(3) .
C9 C8 H8 125.9 .
C7 C8 H8 125.9 .
Mo C8 H8 121.3 .
C8 C9 C10 107.9(6) .
C8 C9 Mo 73.4(3) .
C10 C9 Mo 72.6(3) .
C8 C9 H9 126.0 .
C10 C9 H9 126.0 .
Mo C9 H9 119.9 .
C6 C10 C9 108.3(6) .
C6 C10 Mo 73.6(3) .
C9 C10 Mo 72.5(3) .
C6 C10 H10 125.8 .
C9 C10 H10 125.8 .
Mo C10 H10 119.8 .
O32 S3 O4 124.1(10) .
O32 S3 O31 30.6(8) .
O4 S3 O31 102.6(6) .
O32 S3 O2 93.3(8) .
O4 S3 O2 110.4(5) .
O31 S3 O2 123.2(6) .
O32 S3 O1 113.4(10) .
O4 S3 O1 106.4(3) .
O31 S3 O1 105.3(8) .
O2 S3 O1 107.7(3) .
S3 O1 H11 109.5 .
H52 O5 H53 94.3(5) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo C2 2.315(6) .
Mo C1 2.319(5) .
Mo C3 2.319(5) .
Mo C9 2.322(5) .
Mo C7 2.322(4) .
Mo C10 2.322(6) .
Mo C4 2.327(6) .
Mo C8 2.335(5) .
Mo C5 2.341(5) .
Mo C6 2.345(5) .
Mo S2 2.4114(15) .
Mo S1 2.4168(16) .
S1 S2 2.0149(19) 2_565
S2 S1 2.0149(19) 2_565
C1 C2 1.398(11) .
C1 C5 1.402(11) .
C1 H1 0.9300 .
C2 C3 1.343(10) .
C2 H2 0.9300 .
C3 C4 1.377(10) .
C3 H3 0.9300 .
C4 C5 1.372(10) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C10 1.389(9) .
C6 C7 1.396(9) .
C6 H6 0.9300 .
C7 C8 1.375(9) .
C7 H7 0.9300 .
C8 C9 1.375(10) .
C8 H8 0.9300 .
C9 C10 1.392(11) .
C9 H9 0.9300 .
C10 H10 0.9300 .
S3 O32 1.420(9) .
S3 O4 1.422(5) .
S3 O31 1.429(9) .
S3 O2 1.446(6) .
S3 O1 1.527(4) .
O1 H11 0.8200 .
O5 H52 1.050(7) .
O5 H53 0.865(7) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H11 O5 0.82 1.75 2.550(8) 166.5 .
O5 H52 O2 1.050(7) 1.958(8) 2.714(9) 126.3(4) 2_666
O5 H53 O32 0.865(7) 1.805(11) 2.670(13) 177.6(7) 2_566
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_4
C2 Mo S1 S2 -176.7(2) 2_565
C1 Mo S1 S2 -141.3(2) 2_565
C3 Mo S1 S2 165.48(17) 2_565
C9 Mo S1 S2 83.82(17) 2_565
C7 Mo S1 S2 29.05(16) 2_565
C10 Mo S1 S2 62.5(3) 2_565
C4 Mo S1 S2 -170.2(3) 2_565
C8 Mo S1 S2 62.7(2) 2_565
C5 Mo S1 S2 -133.56(19) 2_565
C6 Mo S1 S2 21.48(19) 2_565
S2 Mo S1 S2 -59.45(7) 2_565
C2 Mo S2 S1 139.1(2) 2_565
C1 Mo S2 S1 143.3(2) 2_565
C3 Mo S2 S1 176.8(3) 2_565
C9 Mo S2 S1 -59.6(3) 2_565
C7 Mo S2 S1 -25.36(16) 2_565
C10 Mo S2 S1 -80.60(16) 2_565
C4 Mo S2 S1 -162.67(18) 2_565
C8 Mo S2 S1 -18.6(2) 2_565
C5 Mo S2 S1 177.9(2) 2_565
C6 Mo S2 S1 -59.25(18) 2_565
S1 Mo S2 S1 62.45(8) 2_565
C3 Mo C1 C2 35.8(4) .
C9 Mo C1 C2 28.2(7) .
C7 Mo C1 C2 -120.4(11) .
C10 Mo C1 C2 79.0(7) .
C4 Mo C1 C2 77.0(5) .
C8 Mo C1 C2 -25.0(7) .
C5 Mo C1 C2 114.5(6) .
C6 Mo C1 C2 134.0(6) .
S2 Mo C1 C2 -173.6(5) .
S1 Mo C1 C2 -77.8(5) .
C2 Mo C1 C5 -114.5(6) .
C3 Mo C1 C5 -78.7(4) .
C9 Mo C1 C5 -86.3(6) .
C7 Mo C1 C5 125.1(10) .
C10 Mo C1 C5 -35.5(6) .
C4 Mo C1 C5 -37.5(4) .
C8 Mo C1 C5 -139.5(5) .
C6 Mo C1 C5 19.5(7) .
S2 Mo C1 C5 71.9(4) .
S1 Mo C1 C5 167.7(4) .
C5 C1 C2 C3 1.0(6) .
Mo C1 C2 C3 -64.7(4) .
C5 C1 C2 Mo 65.7(4) .
C1 Mo C2 C3 117.0(6) .
C9 Mo C2 C3 -43.0(5) .
C7 Mo C2 C3 -88.0(6) .
C10 Mo C2 C3 -10.5(6) .
C4 Mo C2 C3 38.0(4) .
C8 Mo C2 C3 -76.7(5) .
C5 Mo C2 C3 78.9(5) .
C6 Mo C2 C3 -7.5(9) .
S2 Mo C2 C3 124.2(4) .
S1 Mo C2 C3 -147.9(5) .
C3 Mo C2 C1 -117.0(6) .
C9 Mo C2 C1 -160.0(5) .
C7 Mo C2 C1 155.0(4) .
C10 Mo C2 C1 -127.5(5) .
C4 Mo C2 C1 -79.0(5) .
C8 Mo C2 C1 166.3(4) .
C5 Mo C2 C1 -38.1(4) .
C6 Mo C2 C1 -124.5(7) .
S2 Mo C2 C1 7.2(5) .
S1 Mo C2 C1 95.1(5) .
C1 C2 C3 C4 -1.2(6) .
Mo C2 C3 C4 -65.4(4) .
C1 C2 C3 Mo 64.2(4) .
C1 Mo C3 C2 -37.4(5) .
C9 Mo C3 C2 137.2(5) .
C7 Mo C3 C2 134.6(5) .
C10 Mo C3 C2 171.0(5) .
C4 Mo C3 C2 -115.1(6) .
C8 Mo C3 C2 115.6(5) .
C5 Mo C3 C2 -79.1(5) .
C6 Mo C3 C2 176.3(4) .
S2 Mo C3 C2 -77.8(5) .
S1 Mo C3 C2 32.3(5) .
C2 Mo C3 C4 115.1(6) .
C1 Mo C3 C4 77.7(4) .
C9 Mo C3 C4 -107.7(5) .
C7 Mo C3 C4 -110.4(4) .
C10 Mo C3 C4 -73.9(5) .
C8 Mo C3 C4 -129.3(4) .
C5 Mo C3 C4 36.0(4) .
C6 Mo C3 C4 -68.6(5) .
S2 Mo C3 C4 37.3(5) .
S1 Mo C3 C4 147.4(4) .
C2 C3 C4 C5 0.9(6) .
Mo C3 C4 C5 -64.4(4) .
C2 C3 C4 Mo 65.3(4) .
C2 Mo C4 C5 80.7(5) .
C1 Mo C4 C5 38.4(4) .
C3 Mo C4 C5 117.8(6) .
C9 Mo C4 C5 -173.6(5) .
C7 Mo C4 C5 -135.5(5) .
C10 Mo C4 C5 -140.2(5) .
C8 Mo C4 C5 -178.0(4) .
C6 Mo C4 C5 -117.2(5) .
S2 Mo C4 C5 -34.6(5) .
S1 Mo C4 C5 73.0(6) .
C2 Mo C4 C3 -37.1(4) .
C1 Mo C4 C3 -79.4(5) .
C9 Mo C4 C3 68.6(5) .
C7 Mo C4 C3 106.8(5) .
C10 Mo C4 C3 102.0(5) .
C8 Mo C4 C3 64.3(5) .
C5 Mo C4 C3 -117.8(6) .
C6 Mo C4 C3 125.0(4) .
S2 Mo C4 C3 -152.4(4) .
S1 Mo C4 C3 -44.7(5) .
C3 C4 C5 C1 -0.3(6) .
Mo C4 C5 C1 -64.0(3) .
C3 C4 C5 Mo 63.8(4) .
C2 C1 C5 C4 -0.5(6) .
Mo C1 C5 C4 64.5(4) .
C2 C1 C5 Mo -65.0(3) .
C2 Mo C5 C4 -76.4(5) .
C1 Mo C5 C4 -114.6(6) .
C3 Mo C5 C4 -36.3(4) .
C9 Mo C5 C4 7.7(6) .
C7 Mo C5 C4 90.0(6) .
C10 Mo C5 C4 40.7(5) .
C8 Mo C5 C4 4.5(10) .
C6 Mo C5 C4 75.7(5) .
S2 Mo C5 C4 144.6(5) .
S1 Mo C5 C4 -128.1(4) .
C2 Mo C5 C1 38.2(4) .
C3 Mo C5 C1 78.3(5) .
C9 Mo C5 C1 122.3(5) .
C7 Mo C5 C1 -155.4(4) .
C10 Mo C5 C1 155.3(4) .
C4 Mo C5 C1 114.6(6) .
C8 Mo C5 C1 119.2(8) .
C6 Mo C5 C1 -169.7(4) .
S2 Mo C5 C1 -100.7(4) .
S1 Mo C5 C1 -13.5(4) .
C2 Mo C6 C10 -4.5(8) .
C1 Mo C6 C10 -89.2(6) .
C3 Mo C6 C10 -9.4(5) .
C9 Mo C6 C10 37.5(4) .
C7 Mo C6 C10 115.3(6) .
C4 Mo C6 C10 -42.5(5) .
C8 Mo C6 C10 78.4(4) .
C5 Mo C6 C10 -76.8(5) .
S2 Mo C6 C10 -142.3(4) .
S1 Mo C6 C10 128.6(4) .
C2 Mo C6 C7 -119.8(6) .
C1 Mo C6 C7 155.5(4) .
C3 Mo C6 C7 -124.7(4) .
C9 Mo C6 C7 -77.8(4) .
C10 Mo C6 C7 -115.3(6) .
C4 Mo C6 C7 -157.8(4) .
C8 Mo C6 C7 -36.9(3) .
C5 Mo C6 C7 167.9(3) .
S2 Mo C6 C7 102.4(3) .
S1 Mo C6 C7 13.3(4) .
C10 C6 C7 C8 1.7(6) .
Mo C6 C7 C8 65.4(3) .
C10 C6 C7 Mo -63.7(4) .
C2 Mo C7 C8 18.1(7) .
C1 Mo C7 C8 117.4(11) .
C3 Mo C7 C8 -33.8(6) .
C9 Mo C7 C8 -36.8(4) .
C10 Mo C7 C8 -78.5(4) .
C4 Mo C7 C8 -84.1(5) .
C5 Mo C7 C8 -138.6(5) .
C6 Mo C7 C8 -116.0(5) .
S2 Mo C7 C8 169.9(4) .
S1 Mo C7 C8 75.2(4) .
C2 Mo C7 C6 134.1(6) .
C1 Mo C7 C6 -126.6(11) .
C3 Mo C7 C6 82.2(5) .
C9 Mo C7 C6 79.2(4) .
C10 Mo C7 C6 37.5(4) .
C4 Mo C7 C6 32.0(5) .
C8 Mo C7 C6 116.0(5) .
C5 Mo C7 C6 -22.5(6) .
S2 Mo C7 C6 -74.1(3) .
S1 Mo C7 C6 -168.7(3) .
C6 C7 C8 C9 -1.7(6) .
Mo C7 C8 C9 63.8(4) .
C6 C7 C8 Mo -65.5(3) .
C2 Mo C8 C9 73.5(5) .
C1 Mo C8 C9 89.2(6) .
C3 Mo C8 C9 39.6(5) .
C7 Mo C8 C9 -116.5(6) .
C10 Mo C8 C9 -37.8(4) .
C4 Mo C8 C9 7.7(6) .
C5 Mo C8 C9 4.7(9) .
C6 Mo C8 C9 -79.1(5) .
S2 Mo C8 C9 -128.5(4) .
S1 Mo C8 C9 142.4(5) .
C2 Mo C8 C7 -170.0(4) .
C1 Mo C8 C7 -154.3(4) .
C3 Mo C8 C7 156.1(4) .
C9 Mo C8 C7 116.5(6) .
C10 Mo C8 C7 78.7(4) .
C4 Mo C8 C7 124.2(4) .
C5 Mo C8 C7 121.2(7) .
C6 Mo C8 C7 37.4(3) .
S2 Mo C8 C7 -12.0(4) .
S1 Mo C8 C7 -101.1(4) .
C7 C8 C9 C10 1.0(6) .
Mo C8 C9 C10 64.8(4) .
C7 C8 C9 Mo -63.8(4) .
C2 Mo C9 C8 -118.2(5) .
C1 Mo C9 C8 -134.4(5) .
C3 Mo C9 C8 -141.0(5) .
C7 Mo C9 C8 36.8(4) .
C10 Mo C9 C8 115.5(5) .
C4 Mo C9 C8 -173.6(5) .
C5 Mo C9 C8 -177.9(4) .
C6 Mo C9 C8 78.4(4) .
S2 Mo C9 C8 78.7(6) .
S1 Mo C9 C8 -39.0(5) .
C2 Mo C9 C10 126.3(4) .
C1 Mo C9 C10 110.1(5) .
C3 Mo C9 C10 103.5(4) .
C7 Mo C9 C10 -78.7(4) .
C4 Mo C9 C10 70.9(4) .
C8 Mo C9 C10 -115.5(5) .
C5 Mo C9 C10 66.6(4) .
C6 Mo C9 C10 -37.2(3) .
S2 Mo C9 C10 -36.8(6) .
S1 Mo C9 C10 -154.5(3) .
C7 C6 C10 C9 -1.1(6) .
Mo C6 C10 C9 -64.7(4) .
C7 C6 C10 Mo 63.6(3) .
C8 C9 C10 C6 0.1(6) .
Mo C9 C10 C6 65.4(4) .
C8 C9 C10 Mo -65.4(4) .
C2 Mo C10 C6 177.8(4) .
C1 Mo C10 C6 136.7(4) .
C3 Mo C10 C6 172.0(4) .
C9 Mo C10 C6 -115.9(5) .
C7 Mo C10 C6 -37.7(4) .
C4 Mo C10 C6 138.4(5) .
C8 Mo C10 C6 -78.7(4) .
C5 Mo C10 C6 116.5(4) .
S2 Mo C10 C6 39.1(4) .
S1 Mo C10 C6 -78.5(5) .
C2 Mo C10 C9 -66.3(4) .
C1 Mo C10 C9 -107.4(5) .
C3 Mo C10 C9 -72.1(4) .
C7 Mo C10 C9 78.1(4) .
C4 Mo C10 C9 -105.7(5) .
C8 Mo C10 C9 37.2(4) .
C5 Mo C10 C9 -127.6(4) .
C6 Mo C10 C9 115.9(5) .
S2 Mo C10 C9 155.0(4) .
S1 Mo C10 C9 37.4(5) .
