# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_shelxl
_audit_block_doi                 10.5517/cc13s2pn
_database_code_depnum_ccdc_archive 'CCDC 1036041'
_audit_update_record             
;
2014-11-26 deposited with the CCDC.
2015-01-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2012
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H34 B4 Mo2 O6 Ru2'
_chemical_formula_weight         879.79

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'
B B 0.0090 0.0039 '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'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_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'

_cell_length_a                   17.5892(4)
_cell_length_b                   15.9899(4)
_cell_length_c                   11.2183(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.022(2)
_cell_angle_gamma                90
_cell_volume                     3085.94(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    3019
_cell_measurement_theta_min      3.774
_cell_measurement_theta_max      72.474

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.894
_exptl_crystal_F_000             1720
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    14.589
_shelx_estimated_absorpt_T_min   0.134
_shelx_estimated_absorpt_T_max   0.235
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3416
_exptl_absorpt_correction_T_max  0.3911
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 )
SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  
'OXFORD Diffraction SUPER NOVA CCD Diffractometer'
_diffrn_measurement_method       'ω and θ scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10188
_diffrn_reflns_av_unetI/netI     0.0156
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         3.774
_diffrn_reflns_theta_max         72.474
_diffrn_reflns_theta_full        70.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             3019
_reflns_number_gt                2990
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2012)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2012)'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx-97

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0560P)²+8.6208P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3019
_refine_ls_number_parameters     192
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0317
_refine_ls_wR_factor_ref         0.0884
_refine_ls_wR_factor_gt          0.0882
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3783(3) 0.4184(3) 0.1122(4) 0.0500(9) Uani 1 1 d . . . . .
C2 C 0.5400(2) 0.4286(3) 0.1295(4) 0.0472(9) Uani 1 1 d . . . . .
C3 C 0.4492(3) 0.3333(3) -0.0490(4) 0.0540(10) Uani 1 1 d . . . . .
C4 C 0.3095(2) 0.1642(3) 0.2724(4) 0.0530(11) Uani 1 1 d . . . . .
C5 C 0.3052(2) 0.2483(3) 0.3142(4) 0.0508(10) Uani 1 1 d . . . . .
C6 C 0.3500(2) 0.2525(3) 0.4363(4) 0.0470(9) Uani 1 1 d . . . . .
C7 C 0.3820(2) 0.1721(3) 0.4666(4) 0.0463(9) Uani 1 1 d . . . . .
C8 C 0.3565(2) 0.1178(3) 0.3665(4) 0.0485(9) Uani 1 1 d . . . . .
C9 C 0.2649(3) 0.1288(5) 0.1544(5) 0.0806(17) Uani 1 1 d . . . . .
H9A H 0.2948 0.0833 0.1278 0.121 Uiso 1 1 calc R U . . .
H9B H 0.2560 0.1728 0.0922 0.121 Uiso 1 1 calc R U . . .
H9C H 0.2149 0.1072 0.1662 0.121 Uiso 1 1 calc R U . . .
C10 C 0.2529(3) 0.3158(5) 0.2504(7) 0.086(2) Uani 1 1 d . . . . .
H10A H 0.2587 0.3199 0.1656 0.129 Uiso 1 1 calc R U . . .
H10B H 0.2669 0.3693 0.2917 0.129 Uiso 1 1 calc R U . . .
H10C H 0.1987 0.3023 0.2521 0.129 Uiso 1 1 calc R U . . .
C11 C 0.3479(3) 0.3234(3) 0.5232(5) 0.0684(14) Uani 1 1 d . . . . .
H11A H 0.3037 0.3161 0.5629 0.103 Uiso 1 1 calc R U . . .
H11B H 0.3424 0.3764 0.4783 0.103 Uiso 1 1 calc R U . . .
H11C H 0.3963 0.3241 0.5851 0.103 Uiso 1 1 calc R U . . .
C12 C 0.4302(3) 0.1467(4) 0.5893(5) 0.0669(14) Uani 1 1 d . . . . .
H12A H 0.4478 0.1969 0.6374 0.100 Uiso 1 1 calc R U . . .
H12B H 0.4755 0.1146 0.5773 0.100 Uiso 1 1 calc R U . . .
H12C H 0.3987 0.1122 0.6326 0.100 Uiso 1 1 calc R U . . .
C13 C 0.3680(3) 0.0245(3) 0.3670(6) 0.0730(15) Uani 1 1 d . . . . .
H13A H 0.3227 -0.0032 0.3879 0.109 Uiso 1 1 calc R U . . .
H13B H 0.4148 0.0097 0.4275 0.109 Uiso 1 1 calc R U . . .
H13C H 0.3739 0.0061 0.2861 0.109 Uiso 1 1 calc R U . . .
B1 B 0.4356(2) 0.2113(2) 0.1188(4) 0.0324(8) Uani 1 1 d D . . . .
B2 B 0.4768(2) 0.1255(3) 0.1766(3) 0.0434(9) Uani 1 1 d D . . . .
O1 O 0.3291(2) 0.4663(2) 0.1023(4) 0.0722(10) Uani 1 1 d . . . . .
O2 O 0.5847(2) 0.4806(2) 0.1258(4) 0.0722(10) Uani 1 1 d . . . . .
O3 O 0.4403(3) 0.3243(3) -0.1521(3) 0.0839(12) Uani 1 1 d . . . . .
Mo1 Mo 0.43554(2) 0.21967(2) 0.30150(2) 0.03172(11) Uani 1 1 d . . . . .
Ru1 Ru 0.46538(2) 0.34374(2) 0.12172(2) 0.03642(11) Uani 1 1 d . . . . .
H1 H 0.393(2) 0.193(3) 0.039(3) 0.044 Uiso 1 1 d D U . . .
H2 H 0.452(2) 0.0589(17) 0.131(4) 0.044 Uiso 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 O1 1.143(5) . ?
C1 Ru1 1.928(4) . ?
C2 O2 1.151(5) . ?
C2 Ru1 1.877(4) . ?
C3 O3 1.144(6) . ?
C3 Ru1 1.884(4) . ?
C4 C8 1.409(7) . ?
C4 C5 1.431(7) . ?
C4 C9 1.502(7) . ?
C4 Mo1 2.346(4) . ?
C5 C6 1.433(6) . ?
C5 C10 1.501(7) . ?
C5 Mo1 2.372(4) . ?
C6 C7 1.415(6) . ?
C6 C11 1.501(6) . ?
C6 Mo1 2.403(4) . ?
C7 C8 1.417(6) . ?
C7 C12 1.515(7) . ?
C7 Mo1 2.371(4) . ?
C8 C13 1.506(7) . ?
C8 Mo1 2.354(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
B1 B2 1.622(5) . ?
B1 Mo1 2.054(4) . ?
B1 Ru1 2.179(4) . ?
B1 Mo1 2.260(4) 2_655 ?
B1 H1 1.080(19) . ?
B2 B2 1.679(7) 2_655 ?
B2 Mo1 2.133(4) 2_655 ?
B2 Mo1 2.276(4) . ?
B2 H2 1.224(19) . ?
Mo1 B2 2.133(4) 2_655 ?
Mo1 B1 2.260(4) 2_655 ?
Mo1 Ru1 2.6624(4) 2_655 ?
Mo1 Mo1 2.7511(5) 2_655 ?
Mo1 Ru1 2.9529(4) . ?
Ru1 Mo1 2.6625(4) 2_655 ?
Ru1 Ru1 2.8822(5) 2_655 ?

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
O1 C1 Ru1 175.3(4) . . ?
O2 C2 Ru1 175.4(4) . . ?
O3 C3 Ru1 177.7(5) . . ?
C8 C4 C5 108.2(4) . . ?
C8 C4 C9 125.3(5) . . ?
C5 C4 C9 126.1(5) . . ?
C8 C4 Mo1 72.9(2) . . ?
C5 C4 Mo1 73.3(2) . . ?
C9 C4 Mo1 124.8(3) . . ?
C4 C5 C6 107.6(4) . . ?
C4 C5 C10 126.1(5) . . ?
C6 C5 C10 125.7(5) . . ?
C4 C5 Mo1 71.4(2) . . ?
C6 C5 Mo1 73.7(2) . . ?
C10 C5 Mo1 127.9(3) . . ?
C7 C6 C5 107.4(4) . . ?
C7 C6 C11 126.4(4) . . ?
C5 C6 C11 125.0(4) . . ?
C7 C6 Mo1 71.5(2) . . ?
C5 C6 Mo1 71.3(2) . . ?
C11 C6 Mo1 132.6(3) . . ?
C6 C7 C8 108.8(4) . . ?
C6 C7 C12 125.5(4) . . ?
C8 C7 C12 125.5(4) . . ?
C6 C7 Mo1 74.0(2) . . ?
C8 C7 Mo1 71.9(2) . . ?
C12 C7 Mo1 123.9(3) . . ?
C4 C8 C7 108.0(4) . . ?
C4 C8 C13 125.6(5) . . ?
C7 C8 C13 125.8(5) . . ?
C4 C8 Mo1 72.2(2) . . ?
C7 C8 Mo1 73.2(2) . . ?
C13 C8 Mo1 126.9(3) . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C6 C11 H11A 109.5 . . ?
C6 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C6 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
B2 B1 Mo1 75.5(2) . . ?
B2 B1 Ru1 136.9(3) . . ?
Mo1 B1 Ru1 88.41(15) . . ?
B2 B1 Mo1 64.20(19) . 2_655 ?
Mo1 B1 Mo1 79.08(13) . 2_655 ?
Ru1 B1 Mo1 73.67(12) . 2_655 ?
B2 B1 H1 106(2) . . ?
Mo1 B1 H1 135(2) . . ?
Ru1 B1 H1 114(2) . . ?
Mo1 B1 H1 144(2) 2_655 . ?
B1 B2 B2 118.5(2) . 2_655 ?
B1 B2 Mo1 72.6(2) . 2_655 ?
B2 B2 Mo1 72.20(19) 2_655 2_655 ?
B1 B2 Mo1 60.9(2) . . ?
B2 B2 Mo1 63.17(18) 2_655 . ?
Mo1 B2 Mo1 77.14(14) 2_655 . ?
B1 B2 H2 119(2) . . ?
B2 B2 H2 118(2) 2_655 . ?
Mo1 B2 H2 148(2) 2_655 . ?
Mo1 B2 H2 134(2) . . ?
B1 Mo1 B2 85.33(16) . 2_655 ?
B1 Mo1 B1 100.47(13) . 2_655 ?
B2 Mo1 B1 43.22(12) 2_655 2_655 ?
B1 Mo1 B2 43.64(12) . . ?
B2 Mo1 B2 44.64(16) 2_655 . ?
B1 Mo1 B2 77.45(15) 2_655 . ?
B1 Mo1 C4 91.91(15) . . ?
B2 Mo1 C4 112.89(17) 2_655 . ?
B1 Mo1 C4 150.84(16) 2_655 . ?
B2 Mo1 C4 94.42(16) . . ?
B1 Mo1 C8 112.78(15) . . ?
B2 Mo1 C8 86.30(16) 2_655 . ?
B1 Mo1 C8 116.43(15) 2_655 . ?
B2 Mo1 C8 90.99(15) . . ?
C4 Mo1 C8 34.89(16) . . ?
B1 Mo1 C7 147.29(15) . . ?
B2 Mo1 C7 94.55(15) 2_655 . ?
B1 Mo1 C7 101.61(15) 2_655 . ?
B2 Mo1 C7 119.88(15) . . ?
C4 Mo1 C7 58.00(16) . . ?
C8 Mo1 C7 34.89(15) . . ?
B1 Mo1 C5 105.91(16) . . ?
B2 Mo1 C5 144.52(16) 2_655 . ?
B1 Mo1 C5 152.87(15) 2_655 . ?
B2 Mo1 C5 126.91(16) . . ?
C4 Mo1 C5 35.30(17) . . ?
C8 Mo1 C5 58.25(15) . . ?
C7 Mo1 C5 57.87(15) . . ?
B1 Mo1 C6 140.60(15) . . ?
B2 Mo1 C6 127.89(15) 2_655 . ?
B1 Mo1 C6 118.14(15) 2_655 . ?
B2 Mo1 C6 148.60(15) . . ?
C4 Mo1 C6 58.20(15) . . ?
C8 Mo1 C6 57.90(15) . . ?
C7 Mo1 C6 34.47(15) . . ?
C5 Mo1 C6 34.92(15) . . ?
B1 Mo1 Ru1 103.58(11) . 2_655 ?
B2 Mo1 Ru1 94.58(10) 2_655 2_655 ?
B1 Mo1 Ru1 51.77(10) 2_655 2_655 ?
B2 Mo1 Ru1 114.91(11) . 2_655 ?
C4 Mo1 Ru1 149.58(12) . 2_655 ?
C8 Mo1 Ru1 143.56(11) . 2_655 ?
C7 Mo1 Ru1 109.02(11) . 2_655 ?
C5 Mo1 Ru1 114.38(12) . 2_655 ?
C6 Mo1 Ru1 94.99(10) . 2_655 ?
B1 Mo1 Mo1 53.78(11) . 2_655 ?
B2 Mo1 Mo1 53.76(12) 2_655 2_655 ?
B1 Mo1 Mo1 47.14(10) 2_655 2_655 ?
B2 Mo1 Mo1 49.10(11) . 2_655 ?
C4 Mo1 Mo1 141.17(12) . 2_655 ?
C8 Mo1 Mo1 136.20(11) . 2_655 ?
C7 Mo1 Mo1 145.54(11) . 2_655 ?
C5 Mo1 Mo1 156.53(11) . 2_655 ?
C6 Mo1 Mo1 160.60(11) . 2_655 ?
Ru1 Mo1 Mo1 66.089(9) 2_655 2_655 ?
B1 Mo1 Ru1 47.54(11) . . ?
B2 Mo1 Ru1 109.01(11) 2_655 . ?
B1 Mo1 Ru1 90.19(10) 2_655 . ?
B2 Mo1 Ru1 84.22(10) . . ?
C4 Mo1 Ru1 117.12(12) . . ?
C8 Mo1 Ru1 151.28(11) . . ?
C7 Mo1 Ru1 154.81(11) . . ?
C5 Mo1 Ru1 102.91(11) . . ?
C6 Mo1 Ru1 120.45(11) . . ?
Ru1 Mo1 Ru1 61.506(12) 2_655 . ?
Mo1 Mo1 Ru1 55.515(8) 2_655 . ?
C2 Ru1 C3 93.9(2) . . ?
C2 Ru1 C1 95.43(19) . . ?
C3 Ru1 C1 92.80(19) . . ?
C2 Ru1 B1 150.08(16) . . ?
C3 Ru1 B1 85.06(18) . . ?
C1 Ru1 B1 114.50(17) . . ?
C2 Ru1 Mo1 96.89(13) . 2_655 ?
C3 Ru1 Mo1 102.30(14) . 2_655 ?
C1 Ru1 Mo1 159.77(13) . 2_655 ?
B1 Ru1 Mo1 54.56(10) . 2_655 ?
C2 Ru1 Ru1 78.93(12) . 2_655 ?
C3 Ru1 Ru1 163.35(14) . 2_655 ?
C1 Ru1 Ru1 102.75(13) . 2_655 ?
B1 Ru1 Ru1 93.73(10) . 2_655 ?
Mo1 Ru1 Ru1 64.214(9) 2_655 2_655 ?
C2 Ru1 Mo1 132.55(12) . . ?
C3 Ru1 Mo1 128.61(15) . . ?
C1 Ru1 Mo1 101.60(13) . . ?
B1 Ru1 Mo1 44.04(10) . . ?
Mo1 Ru1 Mo1 58.396(11) 2_655 . ?
Ru1 Ru1 Mo1 54.279(8) 2_655 . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8 C4 C5 C6 -0.3(4) . . . . ?
C9 C4 C5 C6 173.4(4) . . . . ?
Mo1 C4 C5 C6 -65.4(3) . . . . ?
C8 C4 C5 C10 -171.1(4) . . . . ?
C9 C4 C5 C10 2.5(7) . . . . ?
Mo1 C4 C5 C10 123.8(4) . . . . ?
C8 C4 C5 Mo1 65.1(3) . . . . ?
C9 C4 C5 Mo1 -121.3(4) . . . . ?
C4 C5 C6 C7 0.9(4) . . . . ?
C10 C5 C6 C7 171.8(4) . . . . ?
Mo1 C5 C6 C7 -62.9(3) . . . . ?
C4 C5 C6 C11 -166.7(4) . . . . ?
C10 C5 C6 C11 4.2(6) . . . . ?
Mo1 C5 C6 C11 129.5(4) . . . . ?
C4 C5 C6 Mo1 63.8(2) . . . . ?
C10 C5 C6 Mo1 -125.3(4) . . . . ?
C5 C6 C7 C8 -1.2(4) . . . . ?
C11 C6 C7 C8 166.2(4) . . . . ?
Mo1 C6 C7 C8 -63.9(3) . . . . ?
C5 C6 C7 C12 -176.8(4) . . . . ?
C11 C6 C7 C12 -9.3(6) . . . . ?
Mo1 C6 C7 C12 120.5(4) . . . . ?
C5 C6 C7 Mo1 62.8(2) . . . . ?
C11 C6 C7 Mo1 -129.8(4) . . . . ?
C5 C4 C8 C7 -0.4(4) . . . . ?
C9 C4 C8 C7 -174.1(4) . . . . ?
Mo1 C4 C8 C7 65.0(3) . . . . ?
C5 C4 C8 C13 171.6(4) . . . . ?
C9 C4 C8 C13 -2.1(7) . . . . ?
Mo1 C4 C8 C13 -123.0(4) . . . . ?
C5 C4 C8 Mo1 -65.4(3) . . . . ?
C9 C4 C8 Mo1 120.9(4) . . . . ?
C6 C7 C8 C4 1.0(4) . . . . ?
C12 C7 C8 C4 176.6(4) . . . . ?
Mo1 C7 C8 C4 -64.3(3) . . . . ?
C6 C7 C8 C13 -171.0(4) . . . . ?
C12 C7 C8 C13 4.6(7) . . . . ?
Mo1 C7 C8 C13 123.7(4) . . . . ?
C6 C7 C8 Mo1 65.3(3) . . . . ?
C12 C7 C8 Mo1 -119.1(4) . . . . ?
Mo1 B1 B2 B2 -27.1(4) . . . 2_655 ?
Ru1 B1 B2 B2 44.4(6) . . . 2_655 ?
Mo1 B1 B2 B2 57.7(4) 2_655 . . 2_655 ?
Mo1 B1 B2 Mo1 -84.71(11) . . . 2_655 ?
Ru1 B1 B2 Mo1 -13.3(3) . . . 2_655 ?
Ru1 B1 B2 Mo1 71.4(3) . . . . ?
Mo1 B1 B2 Mo1 84.71(11) 2_655 . . . ?

_refine_diff_density_max         1.190
_refine_diff_density_min         -0.931
_refine_diff_density_rms         0.106

_shelxl_version_number           2012-9

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelxl
_audit_block_doi                 10.5517/cc13s2qp
_database_code_depnum_ccdc_archive 'CCDC 1036042'
_audit_update_record             
;
2014-12-19 deposited with the CCDC.
2015-01-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H36 B4 Mo2 O2'
_chemical_formula_weight         567.63

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'
B B 0.0013 0.0007 '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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   P43212

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y+1/2, x+1/2, z+3/4'
'y+1/2, -x+1/2, z+1/4'
'-x+1/2, y+1/2, -z+3/4'
'x+1/2, -y+1/2, -z+1/4'
'y, x, -z'
'-y, -x, -z+1/2'

_cell_length_a                   9.0041(3)
_cell_length_b                   9.0041(3)
_cell_length_c                   31.3056(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2538.06(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6562
_cell_measurement_theta_min      2.6
_cell_measurement_theta_max      26.8

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1152
_exptl_absorpt_coefficient_mu    1.003
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.686
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_process_details   'SADABS (Bruker, 2012)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            10681
_diffrn_reflns_av_R_equivalents  0.0172
_diffrn_reflns_av_sigmaI/netI    0.0158
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         2.35
_diffrn_reflns_theta_max         25.99
_reflns_number_total             2491
_reflns_number_gt                2405
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_structure_solution    'SIR92 (Altornare et al., 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0267P)²+3.2345P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.03(13)
_refine_ls_number_reflns         2491
_refine_ls_number_parameters     246
_refine_ls_number_restraints     199
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0316
_refine_ls_wR_factor_ref         0.0751
_refine_ls_wR_factor_gt          0.0741
_refine_ls_goodness_of_fit_ref   1.226
_refine_ls_restrained_S_all      1.336
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
B1 B 0.8974(15) 0.8115(10) 0.0210(4) 0.132(5) Uani 1 1 d DU A .
H1 H 0.851(3) 0.706(2) 0.0354(7) 0.199 Uiso 1 1 d D . .
B2 B 1.0441(17) 0.8806(15) 0.0429(2) 0.118(4) Uani 1 1 d DU A .
H2 H 1.150(7) 0.878(12) 0.022(3) 0.177 Uiso 1 1 d D . .
H2A H 1.121(9) 0.869(13) 0.072(2) 0.177 Uiso 1 1 d D . .
C1 C 0.682(3) 1.003(2) 0.0772(8) 0.059(4) Uani 0.520(15) 1 d PU A 1
C2 C 0.6254(19) 1.101(2) 0.0450(6) 0.050(3) Uani 0.520(15) 1 d PU A 1
C3 C 0.702(2) 1.2396(18) 0.0470(5) 0.044(3) Uani 0.520(15) 1 d PU A 1
C4 C 0.809(2) 1.227(3) 0.0813(7) 0.053(4) Uani 0.520(15) 1 d PU A 1
C5 C 0.789(3) 1.083(3) 0.0984(9) 0.063(5) Uani 0.520(15) 1 d PU A 1
C6 C 0.869(3) 1.029(3) 0.1376(5) 0.127(9) Uani 0.520(15) 1 d PU A 1
H6A H 0.9618 1.0809 0.1403 0.190 Uiso 0.520(15) 1 calc PR A 1
H6B H 0.8871 0.9246 0.1352 0.190 Uiso 0.520(15) 1 calc PR A 1
H6C H 0.8091 1.0482 0.1624 0.190 Uiso 0.520(15) 1 calc PR A 1
C7 C 0.606(3) 0.8587(18) 0.0860(8) 0.125(9) Uani 0.520(15) 1 d PU A 1
H7A H 0.6751 0.7787 0.0824 0.188 Uiso 0.520(15) 1 calc PR A 1
H7B H 0.5244 0.8463 0.0664 0.188 Uiso 0.520(15) 1 calc PR A 1
H7C H 0.5689 0.8584 0.1147 0.188 Uiso 0.520(15) 1 calc PR A 1
C8 C 0.4939(15) 1.091(3) 0.0141(6) 0.112(8) Uani 0.520(15) 1 d PU A 1
H8A H 0.4377 1.1817 0.0154 0.168 Uiso 0.520(15) 1 calc PR A 1
H8B H 0.4315 1.0092 0.0220 0.168 Uiso 0.520(15) 1 calc PR A 1
H8C H 0.5301 1.0767 -0.0144 0.168 Uiso 0.520(15) 1 calc PR A 1
C9 C 0.671(2) 1.382(2) 0.0225(6) 0.098(6) Uani 0.520(15) 1 d PU A 1
H9A H 0.7270 1.4622 0.0347 0.146 Uiso 0.520(15) 1 calc PR A 1
H9B H 0.5667 1.4050 0.0242 0.146 Uiso 0.520(15) 1 calc PR A 1
H9C H 0.6984 1.3695 -0.0069 0.146 Uiso 0.520(15) 1 calc PR A 1
C10 C 0.8966(19) 1.354(2) 0.0973(7) 0.094(7) Uani 0.520(15) 1 d PU A 1
H10A H 0.8414 1.4054 0.1191 0.141 Uiso 0.520(15) 1 calc PR A 1
H10B H 0.9172 1.4213 0.0742 0.141 Uiso 0.520(15) 1 calc PR A 1
H10C H 0.9884 1.3187 0.1091 0.141 Uiso 0.520(15) 1 calc PR A 1
C1' C 0.635(2) 1.033(3) 0.0594(7) 0.058(4) Uani 0.480(15) 1 d PU A 2
C2' C 0.655(2) 1.174(3) 0.0463(5) 0.056(4) Uani 0.480(15) 1 d PU A 2
C3' C 0.772(3) 1.238(3) 0.0708(9) 0.053(5) Uani 0.480(15) 1 d PU A 2
C4' C 0.824(3) 1.121(3) 0.0992(9) 0.048(4) Uani 0.480(15) 1 d PU A 2
C5' C 0.738(3) 0.999(3) 0.0916(6) 0.057(4) Uani 0.480(15) 1 d PU A 2
C6' C 0.5081(16) 0.941(3) 0.0397(7) 0.108(8) Uani 0.480(15) 1 d PU A 2
H6'1 H 0.4259 0.9377 0.0592 0.162 Uiso 0.480(15) 1 calc PR A 2
H6'2 H 0.5423 0.8416 0.0343 0.162 Uiso 0.480(15) 1 calc PR A 2
H6'3 H 0.4769 0.9857 0.0134 0.162 Uiso 0.480(15) 1 calc PR A 2
C7' C 0.581(3) 1.275(3) 0.0147(5) 0.122(10) Uani 0.480(15) 1 d PU A 2
H7'1 H 0.5694 1.2245 -0.0121 0.183 Uiso 0.480(15) 1 calc PR A 2
H7'2 H 0.6402 1.3626 0.0106 0.183 Uiso 0.480(15) 1 calc PR A 2
H7'3 H 0.4847 1.3033 0.0253 0.183 Uiso 0.480(15) 1 calc PR A 2
C8' C 0.823(3) 1.398(2) 0.0739(9) 0.123(9) Uani 0.480(15) 1 d PU A 2
H8'1 H 0.7616 1.4504 0.0941 0.185 Uiso 0.480(15) 1 calc PR A 2
H8'2 H 0.8143 1.4449 0.0464 0.185 Uiso 0.480(15) 1 calc PR A 2
H8'3 H 0.9243 1.4014 0.0832 0.185 Uiso 0.480(15) 1 calc PR A 2
C9' C 0.936(2) 1.139(3) 0.1350(6) 0.118(9) Uani 0.480(15) 1 d PU A 2
H9'1 H 0.8883 1.1852 0.1591 0.178 Uiso 0.480(15) 1 calc PR A 2
H9'2 H 1.0166 1.2000 0.1255 0.178 Uiso 0.480(15) 1 calc PR A 2
H9'3 H 0.9726 1.0432 0.1432 0.178 Uiso 0.480(15) 1 calc PR A 2
C10' C 0.735(3) 0.856(2) 0.1174(7) 0.124(9) Uani 0.480(15) 1 d PU A 2
H10D H 0.6986 0.7769 0.0999 0.186 Uiso 0.480(15) 1 calc PR A 2
H10E H 0.6712 0.8686 0.1417 0.186 Uiso 0.480(15) 1 calc PR A 2
H10F H 0.8338 0.8334 0.1270 0.186 Uiso 0.480(15) 1 calc PR A 2
C11 C 1.0703(8) 1.1353(11) 0.0415(3) 0.109(3) Uani 1 1 d U A .
Mo1 Mo 0.87469(4) 1.05419(5) 0.029158(12) 0.03555(12) Uani 1 1 d D . .
O1 O 1.1795(8) 1.1938(11) 0.0523(3) 0.191(4) Uani 1 1 d U . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
B1 B2 1.613(18) . ?
B1 B1 1.71(3) 7 ?
B1 Mo1 2.186(8) 7 ?
B1 Mo1 2.209(9) . ?
B1 H1 1.13(2) . ?
B2 Mo1 2.226(9) . ?
B2 Mo1 2.259(8) 7 ?
B2 H2 1.150(11) . ?
B2 H2A 1.156(11) . ?
C1 C5 1.37(3) . ?
C1 C2 1.43(3) . ?
C1 C7 1.50(2) . ?
C1 Mo1 2.343(16) . ?
C2 C3 1.43(2) . ?
C2 C8 1.53(2) . ?
C2 Mo1 2.337(16) . ?
C3 C4 1.44(2) . ?
C3 C9 1.52(2) . ?
C3 Mo1 2.348(14) . ?
C4 C5 1.42(4) . ?
C4 C10 1.48(3) . ?
C4 Mo1 2.33(2) . ?
C5 C6 1.51(3) . ?
C5 Mo1 2.32(3) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C1' C2' 1.35(3) . ?
C1' C5' 1.40(3) . ?
C1' C6' 1.54(2) . ?
C1' Mo1 2.36(2) . ?
C2' C3' 1.42(3) . ?
C2' C7' 1.50(2) . ?
C2' Mo1 2.313(15) . ?
C3' C4' 1.46(3) . ?
C3' C8' 1.51(3) . ?
C3' Mo1 2.30(3) . ?
C4' C5' 1.37(3) . ?
C4' C9' 1.51(3) . ?
C4' Mo1 2.32(3) . ?
C5' C10' 1.52(3) . ?
C5' Mo1 2.364(19) . ?
C6' H6'1 0.9600 . ?
C6' H6'2 0.9600 . ?
C6' H6'3 0.9600 . ?
C7' H7'1 0.9600 . ?
C7' H7'2 0.9600 . ?
C7' H7'3 0.9600 . ?
C8' H8'1 0.9600 . ?
C8' H8'2 0.9600 . ?
C8' H8'3 0.9600 . ?
C9' H9'1 0.9600 . ?
C9' H9'2 0.9600 . ?
C9' H9'3 0.9600 . ?
C10' H10D 0.9600 . ?
C10' H10E 0.9600 . ?
C10' H10F 0.9600 . ?
C11 O1 1.165(9) . ?
C11 Mo1 1.946(7) . ?
Mo1 B1 2.186(8) 7 ?
Mo1 B2 2.259(8) 7 ?

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
B2 B1 B1 121.6(6) . 7 ?
B2 B1 Mo1 71.1(4) . 7 ?
B1 B1 Mo1 67.8(5) 7 7 ?
B2 B1 Mo1 69.2(5) . . ?
B1 B1 Mo1 66.4(5) 7 . ?
Mo1 B1 Mo1 83.4(3) 7 . ?
B2 B1 H1 117.0(5) . . ?
B1 B1 H1 121.4(5) 7 . ?
Mo1 B1 H1 138.0(3) 7 . ?
Mo1 B1 H1 138.5(3) . . ?
B1 B2 Mo1 68.1(5) . . ?
B1 B2 Mo1 66.3(5) . 7 ?
Mo1 B2 Mo1 81.4(3) . 7 ?
B1 B2 H2 116(6) . . ?
Mo1 B2 H2 118(6) . . ?
Mo1 B2 H2 54(5) 7 . ?
B1 B2 H2A 143(6) . . ?
Mo1 B2 H2A 129(6) . . ?
Mo1 B2 H2A 140(6) 7 . ?
H2 B2 H2A 87(7) . . ?
C5 C1 C2 105.5(17) . . ?
C5 C1 C7 133(3) . . ?
C2 C1 C7 120(3) . . ?
C5 C1 Mo1 71.7(14) . . ?
C2 C1 Mo1 72.0(9) . . ?
C7 C1 Mo1 128.9(11) . . ?
C3 C2 C1 109.6(17) . . ?
C3 C2 C8 117(2) . . ?
C1 C2 C8 133(2) . . ?
C3 C2 Mo1 72.6(9) . . ?
C1 C2 Mo1 72.4(10) . . ?
C8 C2 Mo1 126.7(11) . . ?
C2 C3 C4 106.7(19) . . ?
C2 C3 C9 129(2) . . ?
C4 C3 C9 124(2) . . ?
C2 C3 Mo1 71.8(9) . . ?
C4 C3 Mo1 71.6(12) . . ?
C9 C3 Mo1 127.1(10) . . ?
C5 C4 C3 105(2) . . ?
C5 C4 C10 130(2) . . ?
C3 C4 C10 123(3) . . ?
C5 C4 Mo1 71.5(17) . . ?
C3 C4 Mo1 72.5(10) . . ?
C10 C4 Mo1 128.1(14) . . ?
C1 C5 C4 113(2) . . ?
C1 C5 C6 124(3) . . ?
C4 C5 C6 123(2) . . ?
C1 C5 Mo1 74.0(14) . . ?
C4 C5 Mo1 73.0(15) . . ?
C6 C5 Mo1 124.6(18) . . ?
C2' C1' C5' 109.3(18) . . ?
C2' C1' C6' 119(3) . . ?
C5' C1' C6' 131(3) . . ?
C2' C1' Mo1 71.1(11) . . ?
C5' C1' Mo1 72.7(12) . . ?
C6' C1' Mo1 124.1(11) . . ?
C1' C2' C3' 108.6(15) . . ?
C1' C2' C7' 135(3) . . ?
C3' C2' C7' 116(3) . . ?
C1' C2' Mo1 75.3(11) . . ?
C3' C2' Mo1 71.7(12) . . ?
C7' C2' Mo1 120.8(12) . . ?
C2' C3' C4' 105.9(19) . . ?
C2' C3' C8' 130(2) . . ?
C4' C3' C8' 123(3) . . ?
C2' C3' Mo1 72.4(12) . . ?
C4' C3' Mo1 72.2(15) . . ?
C8' C3' Mo1 126.8(16) . . ?
C5' C4' C3' 107(2) . . ?
C5' C4' C9' 126(3) . . ?
C3' C4' C9' 126(3) . . ?
C5' C4' Mo1 74.8(14) . . ?
C3' C4' Mo1 71.1(16) . . ?
C9' C4' Mo1 126.8(16) . . ?
C4' C5' C1' 109(2) . . ?
C4' C5' C10' 127(2) . . ?
C1' C5' C10' 124(3) . . ?
C4' C5' Mo1 71.2(15) . . ?
C1' C5' Mo1 72.8(12) . . ?
C10' C5' Mo1 128.7(14) . . ?
C1' C6' H6'1 109.5 . . ?
C1' C6' H6'2 109.5 . . ?
H6'1 C6' H6'2 109.5 . . ?
C1' C6' H6'3 109.5 . . ?
H6'1 C6' H6'3 109.5 . . ?
H6'2 C6' H6'3 109.5 . . ?
C2' C7' H7'1 109.5 . . ?
C2' C7' H7'2 109.5 . . ?
H7'1 C7' H7'2 109.5 . . ?
C2' C7' H7'3 109.5 . . ?
H7'1 C7' H7'3 109.5 . . ?
H7'2 C7' H7'3 109.5 . . ?
C3' C8' H8'1 109.5 . . ?
C3' C8' H8'2 109.5 . . ?
H8'1 C8' H8'2 109.5 . . ?
C3' C8' H8'3 109.5 . . ?
H8'1 C8' H8'3 109.5 . . ?
H8'2 C8' H8'3 109.5 . . ?
C4' C9' H9'1 109.5 . . ?
C4' C9' H9'2 109.5 . . ?
H9'1 C9' H9'2 109.5 . . ?
C4' C9' H9'3 109.5 . . ?
H9'1 C9' H9'3 109.5 . . ?
H9'2 C9' H9'3 109.5 . . ?
C5' C10' H10D 109.5 . . ?
C5' C10' H10E 109.5 . . ?
H10D C10' H10E 109.5 . . ?
C5' C10' H10F 109.5 . . ?
H10D C10' H10F 109.5 . . ?
H10E C10' H10F 109.5 . . ?
O1 C11 Mo1 172.3(6) . . ?
C11 Mo1 B1 128.3(3) . 7 ?
C11 Mo1 B1 108.1(5) . . ?
B1 Mo1 B1 45.7(7) 7 . ?
C11 Mo1 B2 66.7(6) . . ?
B1 Mo1 B2 82.2(6) 7 . ?
B1 Mo1 B2 42.7(5) . . ?
C11 Mo1 B2 101.1(5) . 7 ?
B1 Mo1 B2 42.5(5) 7 7 ?
B1 Mo1 B2 80.9(5) . 7 ?
B2 Mo1 B2 98.6(3) . 7 ?
C11 Mo1 C3' 88.9(8) . . ?
B1 Mo1 C3' 140.1(8) 7 . ?
B1 Mo1 C3' 144.6(6) . . ?
B2 Mo1 C3' 132.2(7) . . ?
B2 Mo1 C3' 127.2(7) 7 . ?
C11 Mo1 C2' 123.5(8) . . ?
B1 Mo1 C2' 104.2(7) 7 . ?
B1 Mo1 C2' 124.6(8) . . ?
B2 Mo1 C2' 150.2(6) . . ?
B2 Mo1 C2' 105.7(5) 7 . ?
C3' Mo1 C2' 35.9(8) . . ?
C11 Mo1 C5 94.3(7) . . ?
B1 Mo1 C5 131.1(8) 7 . ?
B1 Mo1 C5 104.5(7) . . ?
B2 Mo1 C5 97.3(7) . . ?
B2 Mo1 C5 161.3(8) 7 . ?
C3' Mo1 C5 41.9(9) . . ?
C2' Mo1 C5 56.3(8) . . ?
C11 Mo1 C4' 83.7(6) . . ?
B1 Mo1 C4' 142.8(7) 7 . ?
B1 Mo1 C4' 112.7(8) . . ?
B2 Mo1 C4' 97.7(7) . . ?
B2 Mo1 C4' 163.6(8) 7 . ?
C3' Mo1 C4' 36.7(8) . . ?
C2' Mo1 C4' 59.5(8) . . ?
C5 Mo1 C4' 11.7(8) . . ?
C11 Mo1 C4 80.9(5) . . ?
B1 Mo1 C4 150.1(5) 7 . ?
B1 Mo1 C4 139.9(8) . . ?
B2 Mo1 C4 120.6(7) . . ?
B2 Mo1 C4 137.0(8) 7 . ?
C3' Mo1 C4 11.8(7) . . ?
C2' Mo1 C4 46.3(7) . . ?
C5 Mo1 C4 35.5(9) . . ?
C4' Mo1 C4 27.7(9) . . ?
C11 Mo1 C2 139.5(5) . . ?
B1 Mo1 C2 91.1(5) 7 . ?
B1 Mo1 C2 106.9(6) . . ?
B2 Mo1 C2 138.0(7) . . ?
B2 Mo1 C2 104.0(6) 7 . ?
C3' Mo1 C2 50.5(8) . . ?
C2' Mo1 C2 17.7(5) . . ?
C5 Mo1 C2 57.3(8) . . ?
C4' Mo1 C2 64.2(7) . . ?
C4 Mo1 C2 59.1(6) . . ?
C11 Mo1 C1 128.1(7) . . ?
B1 Mo1 C1 98.1(6) 7 . ?
B1 Mo1 C1 87.1(5) . . ?
B2 Mo1 C1 104.3(7) . . ?
B2 Mo1 C1 130.6(8) 7 . ?
C3' Mo1 C1 58.7(8) . . ?
C2' Mo1 C1 46.4(7) . . ?
C5 Mo1 C1 34.3(7) . . ?
C4' Mo1 C1 45.6(7) . . ?
C4 Mo1 C1 59.6(8) . . ?
C2 Mo1 C1 35.6(6) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B1 B1 B2 Mo1 42.7(8) 7 . . . ?
Mo1 B1 B2 Mo1 90.0(3) 7 . . . ?
B1 B1 B2 Mo1 -47.4(8) 7 . . 7 ?
Mo1 B1 B2 Mo1 -90.0(3) . . . 7 ?
C5 C1 C2 C3 1(2) . . . . ?
C7 C1 C2 C3 171.3(14) . . . . ?
Mo1 C1 C2 C3 -63.6(12) . . . . ?
C5 C1 C2 C8 -171.3(19) . . . . ?
C7 C1 C2 C8 -1(3) . . . . ?
Mo1 C1 C2 C8 124.3(18) . . . . ?
C5 C1 C2 Mo1 64.4(16) . . . . ?
C7 C1 C2 Mo1 -125.1(14) . . . . ?
C1 C2 C3 C4 -0.1(19) . . . . ?
C8 C2 C3 C4 173.5(15) . . . . ?
Mo1 C2 C3 C4 -63.5(13) . . . . ?
C1 C2 C3 C9 -173.2(14) . . . . ?
C8 C2 C3 C9 0(2) . . . . ?
Mo1 C2 C3 C9 123.4(15) . . . . ?
C1 C2 C3 Mo1 63.5(12) . . . . ?
C8 C2 C3 Mo1 -122.9(13) . . . . ?
C2 C3 C4 C5 -1(2) . . . . ?
C9 C3 C4 C5 172.8(19) . . . . ?
Mo1 C3 C4 C5 -64.4(18) . . . . ?
C2 C3 C4 C10 -171.7(18) . . . . ?
C9 C3 C4 C10 2(3) . . . . ?
Mo1 C3 C4 C10 125(2) . . . . ?
C2 C3 C4 Mo1 63.7(11) . . . . ?
C9 C3 C4 Mo1 -122.8(14) . . . . ?
C2 C1 C5 C4 -1(3) . . . . ?
C7 C1 C5 C4 -170(2) . . . . ?
Mo1 C1 C5 C4 63(2) . . . . ?
C2 C1 C5 C6 174(2) . . . . ?
C7 C1 C5 C6 5(4) . . . . ?
Mo1 C1 C5 C6 -121(3) . . . . ?
C2 C1 C5 Mo1 -64.6(12) . . . . ?
C7 C1 C5 Mo1 127(2) . . . . ?
C3 C4 C5 C1 1(3) . . . . ?
C10 C4 C5 C1 171(2) . . . . ?
Mo1 C4 C5 C1 -64(2) . . . . ?
C3 C4 C5 C6 -174(2) . . . . ?
C10 C4 C5 C6 -4(4) . . . . ?
Mo1 C4 C5 C6 121(3) . . . . ?
C3 C4 C5 Mo1 65.1(14) . . . . ?
C10 C4 C5 Mo1 -125(2) . . . . ?
C5' C1' C2' C3' -1(2) . . . . ?
C6' C1' C2' C3' 176.2(17) . . . . ?
Mo1 C1' C2' C3' -64.5(15) . . . . ?
C5' C1' C2' C7' -177.6(19) . . . . ?
C6' C1' C2' C7' 0(3) . . . . ?
Mo1 C1' C2' C7' 119(2) . . . . ?
C5' C1' C2' Mo1 63.1(16) . . . . ?
C6' C1' C2' Mo1 -119.2(15) . . . . ?
C1' C2' C3' C4' 2(3) . . . . ?
C7' C2' C3' C4' 179.0(19) . . . . ?
Mo1 C2' C3' C4' -64.9(19) . . . . ?
C1' C2' C3' C8' -169(2) . . . . ?
C7' C2' C3' C8' 8(3) . . . . ?
Mo1 C2' C3' C8' 124(3) . . . . ?
C1' C2' C3' Mo1 66.9(14) . . . . ?
C7' C2' C3' Mo1 -116.1(14) . . . . ?
C2' C3' C4' C5' -2(3) . . . . ?
C8' C3' C4' C5' 170(2) . . . . ?
Mo1 C3' C4' C5' -66.8(18) . . . . ?
C2' C3' C4' C9' -173(2) . . . . ?
C8' C3' C4' C9' -1(4) . . . . ?
Mo1 C3' C4' C9' 122(3) . . . . ?
C2' C3' C4' Mo1 65.0(16) . . . . ?
C8' C3' C4' Mo1 -123(2) . . . . ?
C3' C4' C5' C1' 1(3) . . . . ?
C9' C4' C5' C1' 172(2) . . . . ?
Mo1 C4' C5' C1' -63.3(15) . . . . ?
C3' C4' C5' C10' -171(2) . . . . ?
C9' C4' C5' C10' 0(4) . . . . ?
Mo1 C4' C5' C10' 125(2) . . . . ?
C3' C4' C5' Mo1 64.3(19) . . . . ?
C9' C4' C5' Mo1 -125(3) . . . . ?
C2' C1' C5' C4' 0(3) . . . . ?
C6' C1' C5' C4' -177(2) . . . . ?
Mo1 C1' C5' C4' 62.3(17) . . . . ?
C2' C1' C5' C10' 172.5(16) . . . . ?
C6' C1' C5' C10' -5(4) . . . . ?
Mo1 C1' C5' C10' -125.4(19) . . . . ?
C2' C1' C5' Mo1 -62.1(15) . . . . ?
C6' C1' C5' Mo1 121(2) . . . . ?
O1 C11 Mo1 B1 175(9) . . . 7 ?
O1 C11 Mo1 B1 -138(9) . . . . ?
O1 C11 Mo1 B2 -127(9) . . . . ?
O1 C11 Mo1 B2 138(9) . . . 7 ?
O1 C11 Mo1 C3' 10(9) . . . . ?
O1 C11 Mo1 C2' 21(9) . . . . ?
O1 C11 Mo1 C5 -31(9) . . . . ?
O1 C11 Mo1 C4' -26(9) . . . . ?
O1 C11 Mo1 C4 2(9) . . . . ?
O1 C11 Mo1 C2 10(9) . . . . ?
O1 C11 Mo1 C1 -37(9) . . . . ?
B2 B1 Mo1 C11 14.6(6) . . . . ?
B1 B1 Mo1 C11 -126.4(5) 7 . . . ?
Mo1 B1 Mo1 C11 -57.7(5) 7 . . . ?
B2 B1 Mo1 B1 140.9(7) . . . 7 ?
Mo1 B1 Mo1 B1 68.7(5) 7 . . 7 ?
B1 B1 Mo1 B2 -140.9(7) 7 . . . ?
Mo1 B1 Mo1 B2 -72.3(4) 7 . . . ?
B2 B1 Mo1 B2 113.3(7) . . . 7 ?
B1 B1 Mo1 B2 -27.6(5) 7 . . 7 ?
Mo1 B1 Mo1 B2 41.1(6) 7 . . 7 ?
B2 B1 Mo1 C3' -100.6(14) . . . . ?
B1 B1 Mo1 C3' 118.5(15) 7 . . . ?
Mo1 B1 Mo1 C3' -172.8(13) 7 . . . ?
B2 B1 Mo1 C2' -143.8(6) . . . . ?
B1 B1 Mo1 C2' 75.2(7) 7 . . . ?
Mo1 B1 Mo1 C2' 143.9(5) 7 . . . ?
B2 B1 Mo1 C5 -85.0(8) . . . . ?
B1 B1 Mo1 C5 134.1(8) 7 . . . ?
Mo1 B1 Mo1 C5 -157.3(8) 7 . . . ?
B2 B1 Mo1 C4' -76.2(7) . . . . ?
B1 B1 Mo1 C4' 142.9(7) 7 . . . ?
Mo1 B1 Mo1 C4' -148.4(6) 7 . . . ?
B2 B1 Mo1 C4 -82.8(9) . . . . ?
B1 B1 Mo1 C4 136.2(9) 7 . . . ?
Mo1 B1 Mo1 C4 -155.1(7) 7 . . . ?
B2 B1 Mo1 C2 -144.7(7) . . . . ?
B1 B1 Mo1 C2 74.4(7) 7 . . . ?
Mo1 B1 Mo1 C2 143.0(6) 7 . . . ?
B2 B1 Mo1 C1 -114.8(8) . . . . ?
B1 B1 Mo1 C1 104.3(8) 7 . . . ?
Mo1 B1 Mo1 C1 172.9(8) 7 . . . ?
B1 B2 Mo1 C11 -164.9(6) . . . . ?
Mo1 B2 Mo1 C11 -97.1(5) 7 . . . ?
B1 B2 Mo1 B1 -27.1(6) . . . 7 ?
Mo1 B2 Mo1 B1 40.8(6) 7 . . 7 ?
Mo1 B2 Mo1 B1 67.9(4) 7 . . . ?
B1 B2 Mo1 B2 -66.5(8) . . . 7 ?
Mo1 B2 Mo1 B2 1.4(9) 7 . . 7 ?
B1 B2 Mo1 C3' 129.7(10) . . . . ?
Mo1 B2 Mo1 C3' -162.4(9) 7 . . . ?
B1 B2 Mo1 C2' 77.9(16) . . . . ?
Mo1 B2 Mo1 C2' 145.8(14) 7 . . . ?
B1 B2 Mo1 C5 103.5(8) . . . . ?
Mo1 B2 Mo1 C5 171.4(8) 7 . . . ?
B1 B2 Mo1 C4' 115.3(7) . . . . ?
Mo1 B2 Mo1 C4' -176.8(7) 7 . . . ?
B1 B2 Mo1 C4 132.1(8) . . . . ?
Mo1 B2 Mo1 C4 -160.0(8) 7 . . . ?
B1 B2 Mo1 C2 55.8(8) . . . . ?
Mo1 B2 Mo1 C2 123.6(7) 7 . . . ?
B1 B2 Mo1 C1 69.3(7) . . . . ?
Mo1 B2 Mo1 C1 137.2(7) 7 . . . ?
C2' C3' Mo1 C11 165.2(14) . . . . ?
C4' C3' Mo1 C11 -81.0(16) . . . . ?
C8' C3' Mo1 C11 38(2) . . . . ?
C2' C3' Mo1 B1 4(2) . . . 7 ?
C4' C3' Mo1 B1 118.3(16) . . . 7 ?
C8' C3' Mo1 B1 -123(2) . . . 7 ?
C2' C3' Mo1 B1 -74(2) . . . . ?
C4' C3' Mo1 B1 40(3) . . . . ?
C8' C3' Mo1 B1 158.5(19) . . . . ?
C2' C3' Mo1 B2 -138.2(15) . . . . ?
C4' C3' Mo1 B2 -24(2) . . . . ?
C8' C3' Mo1 B2 94(2) . . . . ?
C2' C3' Mo1 B2 62.1(16) . . . 7 ?
C4' C3' Mo1 B2 175.9(12) . . . 7 ?
C8' C3' Mo1 B2 -65(3) . . . 7 ?
C4' C3' Mo1 C2' 113.8(19) . . . . ?
C8' C3' Mo1 C2' -127(3) . . . . ?
C2' C3' Mo1 C5 -97.2(16) . . . . ?
C4' C3' Mo1 C5 16.7(14) . . . . ?
C8' C3' Mo1 C5 136(3) . . . . ?
C2' C3' Mo1 C4' -113.8(19) . . . . ?
C8' C3' Mo1 C4' 119(3) . . . . ?
C2' C3' Mo1 C4 -148(7) . . . . ?
C4' C3' Mo1 C4 -35(5) . . . . ?
C8' C3' Mo1 C4 84(7) . . . . ?
C2' C3' Mo1 C2 -14.6(11) . . . . ?
C4' C3' Mo1 C2 99.2(16) . . . . ?
C8' C3' Mo1 C2 -142(3) . . . . ?
C2' C3' Mo1 C1 -57.5(12) . . . . ?
C4' C3' Mo1 C1 56.3(13) . . . . ?
C8' C3' Mo1 C1 175(3) . . . . ?
C1' C2' Mo1 C11 -133.6(14) . . . . ?
C3' C2' Mo1 C11 -17.8(16) . . . . ?
C7' C2' Mo1 C11 92(2) . . . . ?
C1' C2' Mo1 B1 67.2(13) . . . 7 ?
C3' C2' Mo1 B1 -177.1(13) . . . 7 ?
C7' C2' Mo1 B1 -67(2) . . . 7 ?
C1' C2' Mo1 B1 21.6(15) . . . . ?
C3' C2' Mo1 B1 137.3(14) . . . . ?
C7' C2' Mo1 B1 -113(2) . . . . ?
C1' C2' Mo1 B2 -32(2) . . . . ?
C3' C2' Mo1 B2 84(2) . . . . ?
C7' C2' Mo1 B2 -166.3(18) . . . . ?
C1' C2' Mo1 B2 111.3(13) . . . 7 ?
C3' C2' Mo1 B2 -133.0(13) . . . 7 ?
C7' C2' Mo1 B2 -23(2) . . . 7 ?
C1' C2' Mo1 C3' -115.7(15) . . . . ?
C7' C2' Mo1 C3' 110(3) . . . . ?
C1' C2' Mo1 C5 -63.0(11) . . . . ?
C3' C2' Mo1 C5 52.7(13) . . . . ?
C7' C2' Mo1 C5 163(3) . . . . ?
C1' C2' Mo1 C4' -76.3(12) . . . . ?
C3' C2' Mo1 C4' 39.4(12) . . . . ?
C7' C2' Mo1 C4' 149(3) . . . . ?
C1' C2' Mo1 C4 -107.2(14) . . . . ?
C3' C2' Mo1 C4 8.5(17) . . . . ?
C7' C2' Mo1 C4 118(3) . . . . ?
C1' C2' Mo1 C2 24(2) . . . . ?
C3' C2' Mo1 C2 140(3) . . . . ?
C7' C2' Mo1 C2 -110(4) . . . . ?
C1' C2' Mo1 C1 -20.5(9) . . . . ?
C3' C2' Mo1 C1 95.3(14) . . . . ?
C7' C2' Mo1 C1 -155(3) . . . . ?
C1 C5 Mo1 C11 -171.7(15) . . . . ?
C4 C5 Mo1 C11 67.7(15) . . . . ?
C6 C5 Mo1 C11 -51(2) . . . . ?
C1 C5 Mo1 B1 -19(2) . . . 7 ?
C4 C5 Mo1 B1 -139.3(13) . . . 7 ?
C6 C5 Mo1 B1 102(2) . . . 7 ?
C1 C5 Mo1 B1 -61.8(16) . . . . ?
C4 C5 Mo1 B1 177.6(14) . . . . ?
C6 C5 Mo1 B1 59(2) . . . . ?
C1 C5 Mo1 B2 -104.7(15) . . . . ?
C4 C5 Mo1 B2 134.7(15) . . . . ?
C6 C5 Mo1 B2 16(2) . . . . ?
C1 C5 Mo1 B2 43(4) . . . 7 ?
C4 C5 Mo1 B2 -78(3) . . . 7 ?
C6 C5 Mo1 B2 164(2) . . . 7 ?
C1 C5 Mo1 C3' 104.7(18) . . . . ?
C4 C5 Mo1 C3' -15.9(15) . . . . ?
C6 C5 Mo1 C3' -134(3) . . . . ?
C1 C5 Mo1 C2' 60.4(14) . . . . ?
C4 C5 Mo1 C2' -60.2(14) . . . . ?
C6 C5 Mo1 C2' -179(3) . . . . ?
C1 C5 Mo1 C4' 162(7) . . . . ?
C4 C5 Mo1 C4' 42(6) . . . . ?
C6 C5 Mo1 C4' -77(7) . . . . ?
C1 C5 Mo1 C4 121(2) . . . . ?
C6 C5 Mo1 C4 -119(3) . . . . ?
C1 C5 Mo1 C2 39.2(11) . . . . ?
C4 C5 Mo1 C2 -81.3(14) . . . . ?
C6 C5 Mo1 C2 160(3) . . . . ?
C4 C5 Mo1 C1 -121(2) . . . . ?
C6 C5 Mo1 C1 121(3) . . . . ?
C5' C4' Mo1 C11 -149.1(16) . . . . ?
C3' C4' Mo1 C11 96.6(17) . . . . ?
C9' C4' Mo1 C11 -25(2) . . . . ?
C5' C4' Mo1 B1 4(2) . . . 7 ?
C3' C4' Mo1 B1 -110.8(19) . . . 7 ?
C9' C4' Mo1 B1 128(2) . . . 7 ?
C5' C4' Mo1 B1 -42.1(16) . . . . ?
C3' C4' Mo1 B1 -156.4(16) . . . . ?
C9' C4' Mo1 B1 82(2) . . . . ?
C5' C4' Mo1 B2 -83.7(15) . . . . ?
C3' C4' Mo1 B2 162.0(16) . . . . ?
C9' C4' Mo1 B2 40(2) . . . . ?
C5' C4' Mo1 B2 103(3) . . . 7 ?
C3' C4' Mo1 B2 -12(4) . . . 7 ?
C9' C4' Mo1 B2 -133(3) . . . 7 ?
C5' C4' Mo1 C3' 114(2) . . . . ?
C9' C4' Mo1 C3' -122(3) . . . . ?
C5' C4' Mo1 C2' 75.8(14) . . . . ?
C3' C4' Mo1 C2' -38.5(14) . . . . ?
C9' C4' Mo1 C2' -160(3) . . . . ?
C5' C4' Mo1 C5 5(6) . . . . ?
C3' C4' Mo1 C5 -109(7) . . . . ?
C9' C4' Mo1 C5 129(8) . . . . ?
C5' C4' Mo1 C4 129(2) . . . . ?
C3' C4' Mo1 C4 14.4(19) . . . . ?
C9' C4' Mo1 C4 -107(3) . . . . ?
C5' C4' Mo1 C2 56.5(13) . . . . ?
C3' C4' Mo1 C2 -57.8(14) . . . . ?
C9' C4' Mo1 C2 -179(3) . . . . ?
C5' C4' Mo1 C1 18.7(12) . . . . ?
C3' C4' Mo1 C1 -95.6(17) . . . . ?
C9' C4' Mo1 C1 143(3) . . . . ?
C5 C4 Mo1 C11 -110.9(16) . . . . ?
C3 C4 Mo1 C11 135.6(15) . . . . ?
C10 C4 Mo1 C11 17(2) . . . . ?
C5 C4 Mo1 B1 80(2) . . . 7 ?
C3 C4 Mo1 B1 -33(3) . . . 7 ?
C10 C4 Mo1 B1 -152.3(16) . . . 7 ?
C5 C4 Mo1 B1 -4(2) . . . . ?
C3 C4 Mo1 B1 -117.1(15) . . . . ?
C10 C4 Mo1 B1 124(2) . . . . ?
C5 C4 Mo1 B2 -54.9(17) . . . . ?
C3 C4 Mo1 B2 -168.4(11) . . . . ?
C10 C4 Mo1 B2 73(3) . . . . ?
C5 C4 Mo1 B2 152.6(15) . . . 7 ?
C3 C4 Mo1 B2 39.1(18) . . . 7 ?
C10 C4 Mo1 B2 -80(2) . . . 7 ?
C5 C4 Mo1 C3' 116(6) . . . . ?
C3 C4 Mo1 C3' 3(5) . . . . ?
C10 C4 Mo1 C3' -116(8) . . . . ?
C5 C4 Mo1 C2' 91.2(17) . . . . ?
C3 C4 Mo1 C2' -22.4(9) . . . . ?
C10 C4 Mo1 C2' -141(3) . . . . ?
C3 C4 Mo1 C5 -113.5(19) . . . . ?
C10 C4 Mo1 C5 127(3) . . . . ?
C5 C4 Mo1 C4' -16.9(19) . . . . ?
C3 C4 Mo1 C4' -130(2) . . . . ?
C10 C4 Mo1 C4' 111(3) . . . . ?
C5 C4 Mo1 C2 75.8(15) . . . . ?
C3 C4 Mo1 C2 -37.7(10) . . . . ?
C10 C4 Mo1 C2 -157(3) . . . . ?
C5 C4 Mo1 C1 34.2(14) . . . . ?
C3 C4 Mo1 C1 -79.3(12) . . . . ?
C10 C4 Mo1 C1 162(3) . . . . ?
C3 C2 Mo1 C11 28.0(19) . . . . ?
C1 C2 Mo1 C11 -89.9(17) . . . . ?
C8 C2 Mo1 C11 138.9(16) . . . . ?
C3 C2 Mo1 B1 -139.7(13) . . . 7 ?
C1 C2 Mo1 B1 102.5(13) . . . 7 ?
C8 C2 Mo1 B1 -28.8(19) . . . 7 ?
C3 C2 Mo1 B1 176.7(11) . . . . ?
C1 C2 Mo1 B1 58.9(12) . . . . ?
C8 C2 Mo1 B1 -72(2) . . . . ?
C3 C2 Mo1 B2 140.9(12) . . . . ?
C1 C2 Mo1 B2 23.0(16) . . . . ?
C8 C2 Mo1 B2 -108.2(19) . . . . ?
C3 C2 Mo1 B2 -98.7(12) . . . 7 ?
C1 C2 Mo1 B2 143.4(12) . . . 7 ?
C8 C2 Mo1 B2 12(2) . . . 7 ?
C3 C2 Mo1 C3' 28.3(10) . . . . ?
C1 C2 Mo1 C3' -89.6(12) . . . . ?
C8 C2 Mo1 C3' 139(2) . . . . ?
C3 C2 Mo1 C2' -1(2) . . . . ?
C1 C2 Mo1 C2' -119(3) . . . . ?
C8 C2 Mo1 C2' 110(3) . . . . ?
C3 C2 Mo1 C5 80.1(13) . . . . ?
C1 C2 Mo1 C5 -37.8(11) . . . . ?
C8 C2 Mo1 C5 -169(2) . . . . ?
C3 C2 Mo1 C4' 69.2(12) . . . . ?
C1 C2 Mo1 C4' -48.7(12) . . . . ?
C8 C2 Mo1 C4' -180(2) . . . . ?
C3 C2 Mo1 C4 38.1(12) . . . . ?
C1 C2 Mo1 C4 -79.7(12) . . . . ?
C8 C2 Mo1 C4 149(2) . . . . ?
C3 C2 Mo1 C1 117.9(16) . . . . ?
C8 C2 Mo1 C1 -131(3) . . . . ?
C5 C1 Mo1 C11 10.5(18) . . . . ?
C2 C1 Mo1 C11 124.3(13) . . . . ?
C7 C1 Mo1 C11 -121(2) . . . . ?
C5 C1 Mo1 B1 165.8(15) . . . 7 ?
C2 C1 Mo1 B1 -80.4(12) . . . 7 ?
C7 C1 Mo1 B1 34(3) . . . 7 ?
C5 C1 Mo1 B1 121.3(16) . . . . ?
C2 C1 Mo1 B1 -124.9(12) . . . . ?
C7 C1 Mo1 B1 -10(3) . . . . ?
C5 C1 Mo1 B2 81.9(15) . . . . ?
C2 C1 Mo1 B2 -164.3(11) . . . . ?
C7 C1 Mo1 B2 -50(3) . . . . ?
C5 C1 Mo1 B2 -163.3(14) . . . 7 ?
C2 C1 Mo1 B2 -49.5(13) . . . 7 ?
C7 C1 Mo1 B2 65(3) . . . 7 ?
C5 C1 Mo1 C3' -49.1(15) . . . . ?
C2 C1 Mo1 C3' 64.7(11) . . . . ?
C7 C1 Mo1 C3' 179(3) . . . . ?
C5 C1 Mo1 C2' -92.2(16) . . . . ?
C2 C1 Mo1 C2' 21.5(9) . . . . ?
C7 C1 Mo1 C2' 136(3) . . . . ?
C2 C1 Mo1 C5 113.7(17) . . . . ?
C7 C1 Mo1 C5 -132(3) . . . . ?
C5 C1 Mo1 C4' -5(2) . . . . ?
C2 C1 Mo1 C4' 108.8(15) . . . . ?
C7 C1 Mo1 C4' -137(3) . . . . ?
C5 C1 Mo1 C4 -35.4(14) . . . . ?
C2 C1 Mo1 C4 78.3(11) . . . . ?
C7 C1 Mo1 C4 -167(3) . . . . ?
C5 C1 Mo1 C2 -113.7(17) . . . . ?
C7 C1 Mo1 C2 115(3) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.99
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.517
_refine_diff_density_min         -0.496
_refine_diff_density_rms         0.068
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelxl
_audit_block_doi                 10.5517/cc13s2rq
_database_code_depnum_ccdc_archive 'CCDC 1036043'
_audit_update_record             
;
2014-11-26 deposited with the CCDC.
2015-01-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H34 B3 Cl Mo2 O5 W'
_chemical_formula_weight         858.13

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'
B B 0.0013 0.0007 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.0059(8)
_cell_length_b                   18.5886(14)
_cell_length_c                   17.7675(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.389(2)
_cell_angle_gamma                90.00
_cell_volume                     2934.6(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9912
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      29.3

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.942
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1656
_exptl_absorpt_coefficient_mu    4.876
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.400
_exptl_absorpt_correction_T_max  0.673
_exptl_absorpt_process_details   'SADABS (Bruker, 1999)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            30716
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.19
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5173
_reflns_number_gt                4386
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_structure_solution    'SIR92 (Altornare et al., 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'


_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0244P)²+11.2549P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5173
_refine_ls_number_parameters     350
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0347
_refine_ls_wR_factor_ref         0.0729
_refine_ls_wR_factor_gt          0.0686
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_restrained_S_all      1.101
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.1922(8) 0.3584(4) 0.3178(4) 0.0473(18) Uani 1 1 d . . .
H1A H 0.2547 0.3614 0.3670 0.071 Uiso 1 1 calc R . .
H1B H 0.1751 0.3088 0.3040 0.071 Uiso 1 1 calc R . .
H1C H 0.0976 0.3815 0.3198 0.071 Uiso 1 1 calc R . .
C2 C 0.2687(7) 0.3951(3) 0.2598(3) 0.0311(14) Uani 1 1 d . . .
C3 C 0.2098(7) 0.4017(3) 0.1813(4) 0.0346(15) Uani 1 1 d . . .
C4 C 0.3038(8) 0.4491(3) 0.1481(4) 0.0415(17) Uani 1 1 d . . .
C5 C 0.4207(8) 0.4710(3) 0.2053(4) 0.0423(18) Uani 1 1 d . . .
C6 C 0.4002(7) 0.4379(4) 0.2747(4) 0.0393(17) Uani 1 1 d . . .
C7 C 0.0635(8) 0.3715(4) 0.1415(4) 0.056(2) Uani 1 1 d . . .
H7A H 0.0506 0.3835 0.0883 0.084 Uiso 1 1 calc R . .
H7B H -0.0178 0.3914 0.1635 0.084 Uiso 1 1 calc R . .
H7C H 0.0641 0.3201 0.1472 0.084 Uiso 1 1 calc R . .
C8 C 0.2646(11) 0.4821(4) 0.0702(5) 0.068(3) Uani 1 1 d . . .
H8A H 0.1805 0.4571 0.0417 0.102 Uiso 1 1 calc R . .
H8B H 0.3495 0.4786 0.0439 0.102 Uiso 1 1 calc R . .
H8C H 0.2389 0.5318 0.0751 0.102 Uiso 1 1 calc R . .
C9 C 0.5366(10) 0.5288(4) 0.1982(6) 0.076(3) Uani 1 1 d . . .
H9A H 0.6034 0.5337 0.2459 0.114 Uiso 1 1 calc R . .
H9B H 0.4865 0.5738 0.1851 0.114 Uiso 1 1 calc R . .
H9C H 0.5933 0.5156 0.1590 0.114 Uiso 1 1 calc R . .
C10 C 0.4850(9) 0.4550(4) 0.3527(4) 0.060(2) Uani 1 1 d . . .
H10A H 0.5703 0.4846 0.3479 0.090 Uiso 1 1 calc R . .
H10B H 0.5187 0.4111 0.3784 0.090 Uiso 1 1 calc R . .
H10C H 0.4201 0.4802 0.3815 0.090 Uiso 1 1 calc R . .
C11 C 0.4262(9) 0.2787(4) -0.0979(4) 0.0481(19) Uani 1 1 d . . .
H11A H 0.3269 0.2590 -0.1004 0.072 Uiso 1 1 calc R . .
H11B H 0.4564 0.2754 -0.1471 0.072 Uiso 1 1 calc R . .
H11C H 0.4259 0.3282 -0.0826 0.072 Uiso 1 1 calc R . .
C12 C 0.5337(7) 0.2375(3) -0.0412(3) 0.0321(15) Uani 1 1 d . . .
C13 C 0.6899(7) 0.2509(3) -0.0220(3) 0.0332(15) Uani 1 1 d . . .
C14 C 0.7569(7) 0.1928(3) 0.0218(3) 0.0298(14) Uani 1 1 d . . .
C15 C 0.6418(7) 0.1420(3) 0.0285(3) 0.0305(14) Uani 1 1 d . . .
C16 C 0.5040(7) 0.1703(3) -0.0100(3) 0.0313(14) Uani 1 1 d . . .
C17 C 0.7694(9) 0.3139(4) -0.0497(4) 0.0498(19) Uani 1 1 d . . .
H17A H 0.8747 0.3115 -0.0291 0.075 Uiso 1 1 calc R . .
H17B H 0.7280 0.3577 -0.0333 0.075 Uiso 1 1 calc R . .
H17C H 0.7566 0.3130 -0.1044 0.075 Uiso 1 1 calc R . .
C18 C 0.9214(7) 0.1806(4) 0.0494(4) 0.052(2) Uani 1 1 d . . .
H18A H 0.9347 0.1365 0.0779 0.078 Uiso 1 1 calc R . .
H18B H 0.9614 0.2198 0.0815 0.078 Uiso 1 1 calc R . .
H18C H 0.9734 0.1775 0.0064 0.078 Uiso 1 1 calc R . .
C19 C 0.6699(9) 0.0677(3) 0.0620(4) 0.0498(19) Uani 1 1 d . . .
H19A H 0.7739 0.0632 0.0846 0.075 Uiso 1 1 calc R . .
H19B H 0.6461 0.0324 0.0225 0.075 Uiso 1 1 calc R . .
H19C H 0.6078 0.0602 0.1004 0.075 Uiso 1 1 calc R . .
C20 C 0.3572(8) 0.1308(4) -0.0282(4) 0.0452(18) Uani 1 1 d . . .
H20A H 0.3634 0.0864 -0.0002 0.068 Uiso 1 1 calc R . .
H20B H 0.3363 0.1207 -0.0819 0.068 Uiso 1 1 calc R . .
H20C H 0.2781 0.1599 -0.0143 0.068 Uiso 1 1 calc R . .
C21 C 0.4110(9) 0.0960(4) 0.1708(5) 0.056(2) Uani 1 1 d . . .
C22 C 0.5119(9) 0.1259(4) 0.3146(5) 0.057(2) Uani 1 1 d . . .
C23 C 0.2514(8) 0.1916(3) 0.2314(4) 0.0371(16) Uani 1 1 d . . .
C24 C 0.5091(7) 0.2647(4) 0.3072(4) 0.0360(15) Uani 1 1 d . . .
C25 C 0.6693(7) 0.3624(4) 0.2324(4) 0.0360(15) Uani 1 1 d . . .
B1 B 0.5921(10) 0.3663(4) 0.0975(4) 0.0414(19) Uani 1 1 d D . .
B2 B 0.4156(9) 0.3304(4) 0.0702(4) 0.0321(17) Uani 1 1 d D . .
B3 B 0.3602(8) 0.2527(4) 0.1123(4) 0.0280(15) Uani 1 1 d D . .
O2 O 0.3668(9) 0.0414(3) 0.1472(4) 0.095(2) Uani 1 1 d . . .
O3 O 0.5397(9) 0.0906(4) 0.3672(4) 0.104(3) Uani 1 1 d . . .
O4 O 0.1268(6) 0.1902(3) 0.2354(3) 0.0601(15) Uani 1 1 d . . .
O5 O 0.5347(6) 0.2891(3) 0.3683(3) 0.0518(13) Uani 1 1 d . . .
O6 O 0.7888(6) 0.3784(3) 0.2594(3) 0.0602(15) Uani 1 1 d . . .
Cl1 Cl 0.73816(17) 0.19688(9) 0.20602(8) 0.0340(4) Uani 1 1 d . . .
Mo1 Mo 0.45337(6) 0.34896(3) 0.19028(3) 0.02367(13) Uani 1 1 d . . .
Mo2 Mo 0.59164(5) 0.24861(2) 0.09230(3) 0.02091(12) Uani 1 1 d . . .
W1 W 0.46579(3) 0.190446(13) 0.222531(15) 0.02987(9) Uani 1 1 d . . .
H1D H 0.627(7) 0.419(2) 0.073(3) 0.042(18) Uiso 1 1 d D . .
H2 H 0.328(5) 0.348(3) 0.019(2) 0.034(16) Uiso 1 1 d D . .
H3 H 0.244(4) 0.236(3) 0.080(3) 0.049(19) Uiso 1 1 d D . .
H1E H 0.696(5) 0.330(3) 0.097(4) 0.06(2) Uiso 1 1 d D . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
C1 C2 1.495(9) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.414(9) . ?
C2 C6 1.415(9) . ?
C2 Mo1 2.386(6) . ?
C3 C4 1.417(9) . ?
C3 C7 1.499(9) . ?
C3 Mo1 2.383(6) . ?
C4 C5 1.399(10) . ?
C4 C8 1.503(10) . ?
C4 Mo1 2.348(6) . ?
C5 C6 1.418(10) . ?
C5 C9 1.518(10) . ?
C5 Mo1 2.309(6) . ?
C6 C10 1.502(9) . ?
C6 Mo1 2.334(6) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.490(9) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C16 1.410(9) . ?
C12 C13 1.415(9) . ?
C12 Mo2 2.353(6) . ?
C13 C14 1.408(9) . ?
C13 C17 1.498(9) . ?
C13 Mo2 2.344(6) . ?
C14 C15 1.422(9) . ?
C14 C18 1.500(9) . ?
C14 Mo2 2.338(6) . ?
C15 C16 1.417(8) . ?
C15 C19 1.508(9) . ?
C15 Mo2 2.363(6) . ?
C16 C20 1.500(9) . ?
C16 Mo2 2.362(6) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 O2 1.145(9) . ?
C21 W1 2.006(8) . ?
C22 O3 1.136(9) . ?
C22 W1 2.017(8) . ?
C23 O4 1.136(8) . ?
C23 W1 1.962(7) . ?
C24 O5 1.164(8) . ?
C24 W1 2.032(7) . ?
C24 Mo1 2.585(7) . ?
C25 O6 1.143(7) . ?
C25 Mo1 1.983(7) . ?
B1 B2 1.719(12) . ?
B1 Mo2 2.189(8) . ?
B1 Mo1 2.247(8) . ?
B1 H1D 1.13(2) . ?
B1 H1E 1.15(2) . ?
B2 B3 1.736(10) . ?
B2 Mo1 2.134(7) . ?
B2 Mo2 2.185(7) . ?
B2 H2 1.15(2) . ?
B3 Mo2 2.172(7) . ?
B3 Mo1 2.333(7) . ?
B3 W1 2.340(7) . ?
B3 H3 1.15(2) . ?
Cl1 Mo2 2.4246(15) . ?
Cl1 W1 2.5203(16) . ?
Mo1 Mo2 2.9611(7) . ?
Mo1 W1 3.0004(6) . ?
Mo2 W1 2.9433(6) . ?
Mo2 H1E 1.77(7) . ?

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
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 C6 107.7(6) . . ?
C3 C2 C1 125.4(6) . . ?
C6 C2 C1 126.3(6) . . ?
C3 C2 Mo1 72.6(3) . . ?
C6 C2 Mo1 70.5(3) . . ?
C1 C2 Mo1 129.2(4) . . ?
C2 C3 C4 108.2(6) . . ?
C2 C3 C7 126.3(6) . . ?
C4 C3 C7 125.1(6) . . ?
C2 C3 Mo1 72.9(3) . . ?
C4 C3 Mo1 71.2(4) . . ?
C7 C3 Mo1 127.3(4) . . ?
C5 C4 C3 108.0(6) . . ?
C5 C4 C8 125.9(7) . . ?
C3 C4 C8 124.9(7) . . ?
C5 C4 Mo1 71.0(4) . . ?
C3 C4 Mo1 73.9(4) . . ?
C8 C4 Mo1 130.8(5) . . ?
C4 C5 C6 108.4(6) . . ?
C4 C5 C9 126.3(7) . . ?
C6 C5 C9 124.7(7) . . ?
C4 C5 Mo1 74.1(4) . . ?
C6 C5 Mo1 73.2(4) . . ?
C9 C5 Mo1 125.7(5) . . ?
C2 C6 C5 107.7(6) . . ?
C2 C6 C10 125.2(7) . . ?
C5 C6 C10 126.3(7) . . ?
C2 C6 Mo1 74.6(3) . . ?
C5 C6 Mo1 71.3(3) . . ?
C10 C6 Mo1 128.0(5) . . ?
C3 C7 H7A 109.5 . . ?
C3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C5 C9 H9A 109.5 . . ?
C5 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C5 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 H10A 109.5 . . ?
C6 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C6 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C16 C12 C13 107.8(5) . . ?
C16 C12 C11 125.3(6) . . ?
C13 C12 C11 125.7(6) . . ?
C16 C12 Mo2 72.9(3) . . ?
C13 C12 Mo2 72.1(3) . . ?
C11 C12 Mo2 130.5(4) . . ?
C14 C13 C12 108.6(5) . . ?
C14 C13 C17 126.6(6) . . ?
C12 C13 C17 124.7(6) . . ?
C14 C13 Mo2 72.3(3) . . ?
C12 C13 Mo2 72.8(3) . . ?
C17 C13 Mo2 124.6(4) . . ?
C13 C14 C15 107.6(5) . . ?
C13 C14 C18 127.5(6) . . ?
C15 C14 C18 124.5(6) . . ?
C13 C14 Mo2 72.7(3) . . ?
C15 C14 Mo2 73.3(3) . . ?
C18 C14 Mo2 125.0(4) . . ?
C16 C15 C14 107.8(5) . . ?
C16 C15 C19 127.4(6) . . ?
C14 C15 C19 124.3(6) . . ?
C16 C15 Mo2 72.5(3) . . ?
C14 C15 Mo2 71.4(3) . . ?
C19 C15 Mo2 127.7(4) . . ?
C12 C16 C15 108.2(6) . . ?
C12 C16 C20 124.4(6) . . ?
C15 C16 C20 126.5(6) . . ?
C12 C16 Mo2 72.3(3) . . ?
C15 C16 Mo2 72.6(3) . . ?
C20 C16 Mo2 129.8(4) . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O2 C21 W1 171.5(7) . . ?
O3 C22 W1 178.6(9) . . ?
O4 C23 W1 177.8(6) . . ?
O5 C24 W1 160.0(6) . . ?
O5 C24 Mo1 119.8(5) . . ?
W1 C24 Mo1 80.1(2) . . ?
O6 C25 Mo1 171.5(6) . . ?
B2 B1 Mo2 66.7(4) . . ?
B2 B1 Mo1 63.5(4) . . ?
Mo2 B1 Mo1 83.7(3) . . ?
B2 B1 H1D 122(3) . . ?
Mo2 B1 H1D 147(3) . . ?
Mo1 B1 H1D 129(3) . . ?
B2 B1 H1E 119(4) . . ?
Mo2 B1 H1E 54(3) . . ?
Mo1 B1 H1E 118(4) . . ?
H1D B1 H1E 103(5) . . ?
B1 B2 B3 121.2(6) . . ?
B1 B2 Mo1 70.4(4) . . ?
B3 B2 Mo1 73.4(4) . . ?
B1 B2 Mo2 67.0(4) . . ?
B3 B2 Mo2 66.1(3) . . ?
Mo1 B2 Mo2 86.6(3) . . ?
B1 B2 H2 127(3) . . ?
B3 B2 H2 112(3) . . ?
Mo1 B2 H2 136(3) . . ?
Mo2 B2 H2 137(3) . . ?
B2 B3 Mo2 66.9(3) . . ?
B2 B3 Mo1 61.2(3) . . ?
Mo2 B3 Mo1 82.1(2) . . ?
B2 B3 W1 131.8(5) . . ?
Mo2 B3 W1 81.3(2) . . ?
Mo1 B3 W1 79.9(2) . . ?
B2 B3 H3 108(3) . . ?
Mo2 B3 H3 137(3) . . ?
Mo1 B3 H3 136(3) . . ?
W1 B3 H3 120(3) . . ?
Mo2 Cl1 W1 73.03(4) . . ?
C25 Mo1 B2 112.6(3) . . ?
C25 Mo1 B1 68.3(3) . . ?
B2 Mo1 B1 46.1(3) . . ?
C25 Mo1 C5 88.2(3) . . ?
B2 Mo1 C5 105.8(3) . . ?
B1 Mo1 C5 92.3(3) . . ?
C25 Mo1 B3 123.8(3) . . ?
B2 Mo1 B3 45.4(3) . . ?
B1 Mo1 B3 82.1(3) . . ?
C5 Mo1 B3 141.4(3) . . ?
C25 Mo1 C6 87.7(2) . . ?
B2 Mo1 C6 137.9(3) . . ?
B1 Mo1 C6 124.5(3) . . ?
C5 Mo1 C6 35.6(2) . . ?
B3 Mo1 C6 146.4(2) . . ?
C25 Mo1 C4 119.8(3) . . ?
B2 Mo1 C4 79.6(3) . . ?
B1 Mo1 C4 90.6(3) . . ?
C5 Mo1 C4 34.9(2) . . ?
B3 Mo1 C4 106.6(3) . . ?
C6 Mo1 C4 58.4(2) . . ?
C25 Mo1 C3 144.0(2) . . ?
B2 Mo1 C3 90.3(3) . . ?
B1 Mo1 C3 120.5(3) . . ?
C5 Mo1 C3 58.0(2) . . ?
B3 Mo1 C3 92.1(2) . . ?
C6 Mo1 C3 57.9(2) . . ?
C4 Mo1 C3 34.8(2) . . ?
C25 Mo1 C2 118.9(2) . . ?
B2 Mo1 C2 124.4(3) . . ?
B1 Mo1 C2 147.7(3) . . ?
C5 Mo1 C2 58.3(2) . . ?
B3 Mo1 C2 111.7(2) . . ?
C6 Mo1 C2 34.9(2) . . ?
C4 Mo1 C2 57.9(2) . . ?
C3 Mo1 C2 34.5(2) . . ?
C25 Mo1 C24 73.9(2) . . ?
B2 Mo1 C24 133.2(2) . . ?
B1 Mo1 C24 128.2(3) . . ?
C5 Mo1 C24 121.0(2) . . ?
B3 Mo1 C24 91.0(2) . . ?
C6 Mo1 C24 86.9(2) . . ?
C4 Mo1 C24 139.7(2) . . ?
C3 Mo1 C24 111.0(2) . . ?
C2 Mo1 C24 82.1(2) . . ?
C25 Mo1 Mo2 79.69(18) . . ?
B2 Mo1 Mo2 47.4(2) . . ?
B1 Mo1 Mo2 47.3(2) . . ?
C5 Mo1 Mo2 139.52(17) . . ?
B3 Mo1 Mo2 46.60(17) . . ?
C6 Mo1 Mo2 166.95(17) . . ?
C4 Mo1 Mo2 125.89(17) . . ?
C3 Mo1 Mo2 133.65(15) . . ?
C2 Mo1 Mo2 157.80(15) . . ?
C24 Mo1 Mo2 92.61(15) . . ?
C25 Mo1 W1 92.76(19) . . ?
B2 Mo1 W1 91.53(19) . . ?
B1 Mo1 W1 105.8(2) . . ?
C5 Mo1 W1 160.82(18) . . ?
B3 Mo1 W1 50.15(17) . . ?
C6 Mo1 W1 125.30(18) . . ?
C4 Mo1 W1 147.28(19) . . ?
C3 Mo1 W1 114.93(16) . . ?
C2 Mo1 W1 105.15(15) . . ?
C24 Mo1 W1 41.84(16) . . ?
Mo2 Mo1 W1 59.166(14) . . ?
B3 Mo2 B2 46.9(3) . . ?
B3 Mo2 B1 87.3(3) . . ?
B2 Mo2 B1 46.3(3) . . ?
B3 Mo2 C14 144.6(2) . . ?
B2 Mo2 C14 136.0(2) . . ?
B1 Mo2 C14 118.0(3) . . ?
B3 Mo2 C13 130.5(2) . . ?
B2 Mo2 C13 101.4(2) . . ?
B1 Mo2 C13 91.2(3) . . ?
C14 Mo2 C13 35.0(2) . . ?
B3 Mo2 C12 96.1(2) . . ?
B2 Mo2 C12 81.1(2) . . ?
B1 Mo2 C12 97.4(3) . . ?
C14 Mo2 C12 58.5(2) . . ?
C13 Mo2 C12 35.1(2) . . ?
B3 Mo2 C16 86.5(2) . . ?
B2 Mo2 C16 98.6(2) . . ?
B1 Mo2 C16 130.3(3) . . ?
C14 Mo2 C16 58.4(2) . . ?
C13 Mo2 C16 58.0(2) . . ?
C12 Mo2 C16 34.8(2) . . ?
B3 Mo2 C15 111.8(2) . . ?
B2 Mo2 C15 133.4(2) . . ?
B1 Mo2 C15 149.2(2) . . ?
C14 Mo2 C15 35.2(2) . . ?
C13 Mo2 C15 58.1(2) . . ?
C12 Mo2 C15 58.1(2) . . ?
C16 Mo2 C15 34.9(2) . . ?
B3 Mo2 Cl1 106.51(19) . . ?
B2 Mo2 Cl1 134.92(19) . . ?
B1 Mo2 Cl1 111.3(2) . . ?
C14 Mo2 Cl1 87.87(15) . . ?
C13 Mo2 Cl1 119.87(17) . . ?
C12 Mo2 Cl1 143.73(16) . . ?
C16 Mo2 Cl1 117.70(16) . . ?
C15 Mo2 Cl1 86.92(15) . . ?
B3 Mo2 W1 51.81(19) . . ?
B2 Mo2 W1 92.05(19) . . ?
B1 Mo2 W1 109.4(2) . . ?
C14 Mo2 W1 128.21(16) . . ?
C13 Mo2 W1 159.37(15) . . ?
C12 Mo2 W1 135.20(16) . . ?
C16 Mo2 W1 104.79(16) . . ?
C15 Mo2 W1 101.37(15) . . ?
Cl1 Mo2 W1 54.98(4) . . ?
B3 Mo2 Mo1 51.31(19) . . ?
B2 Mo2 Mo1 46.00(19) . . ?
B1 Mo2 Mo1 49.0(2) . . ?
C14 Mo2 Mo1 163.69(15) . . ?
C13 Mo2 Mo1 138.79(15) . . ?
C12 Mo2 Mo1 127.05(15) . . ?
C16 Mo2 Mo1 136.15(15) . . ?
C15 Mo2 Mo1 160.39(16) . . ?
Cl1 Mo2 Mo1 89.07(4) . . ?
W1 Mo2 Mo1 61.082(15) . . ?
B3 Mo2 H1E 118.5(9) . . ?
B2 Mo2 H1E 77.2(9) . . ?
B1 Mo2 H1E 31.7(7) . . ?
C14 Mo2 H1E 91.4(13) . . ?
C13 Mo2 H1E 76(2) . . ?
C12 Mo2 H1E 99(2) . . ?
C16 Mo2 H1E 132(2) . . ?
C15 Mo2 H1E 126.5(14) . . ?
Cl1 Mo2 H1E 95.1(19) . . ?
W1 Mo2 H1E 123(2) . . ?
Mo1 Mo2 H1E 72.9(15) . . ?
C23 W1 C21 82.8(3) . . ?
C23 W1 C22 90.9(3) . . ?
C21 W1 C22 81.6(3) . . ?
C23 W1 C24 90.3(3) . . ?
C21 W1 C24 159.6(3) . . ?
C22 W1 C24 79.3(3) . . ?
C23 W1 B3 77.9(3) . . ?
C21 W1 B3 90.8(3) . . ?
C22 W1 B3 167.3(3) . . ?
C24 W1 B3 106.6(3) . . ?
C23 W1 Cl1 176.06(19) . . ?
C21 W1 Cl1 99.2(2) . . ?
C22 W1 Cl1 92.7(2) . . ?
C24 W1 Cl1 88.92(18) . . ?
B3 W1 Cl1 98.60(17) . . ?
C23 W1 Mo2 124.67(19) . . ?
C21 W1 Mo2 93.4(2) . . ?
C22 W1 Mo2 143.3(2) . . ?
C24 W1 Mo2 106.30(19) . . ?
B3 W1 Mo2 46.85(17) . . ?
Cl1 W1 Mo2 51.99(3) . . ?
C23 W1 Mo1 89.88(18) . . ?
C21 W1 Mo1 140.7(2) . . ?
C22 W1 Mo1 137.3(2) . . ?
C24 W1 Mo1 58.06(19) . . ?
B3 W1 Mo1 49.96(17) . . ?
Cl1 W1 Mo1 86.44(4) . . ?
Mo2 W1 Mo1 59.752(14) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C2 C3 C4 -0.7(7) . . . . ?
C1 C2 C3 C4 170.9(6) . . . . ?
Mo1 C2 C3 C4 -62.9(4) . . . . ?
C6 C2 C3 C7 -173.7(6) . . . . ?
C1 C2 C3 C7 -2.1(10) . . . . ?
Mo1 C2 C3 C7 124.1(6) . . . . ?
C6 C2 C3 Mo1 62.2(4) . . . . ?
C1 C2 C3 Mo1 -126.2(6) . . . . ?
C2 C3 C4 C5 0.7(7) . . . . ?
C7 C3 C4 C5 173.8(6) . . . . ?
Mo1 C3 C4 C5 -63.3(4) . . . . ?
C2 C3 C4 C8 -167.1(6) . . . . ?
C7 C3 C4 C8 6.0(10) . . . . ?
Mo1 C3 C4 C8 129.0(6) . . . . ?
C2 C3 C4 Mo1 64.0(4) . . . . ?
C7 C3 C4 Mo1 -122.9(6) . . . . ?
C3 C4 C5 C6 -0.4(7) . . . . ?
C8 C4 C5 C6 167.2(6) . . . . ?
Mo1 C4 C5 C6 -65.6(4) . . . . ?
C3 C4 C5 C9 -171.9(6) . . . . ?
C8 C4 C5 C9 -4.3(11) . . . . ?
Mo1 C4 C5 C9 122.9(7) . . . . ?
C3 C4 C5 Mo1 65.2(4) . . . . ?
C8 C4 C5 Mo1 -127.2(7) . . . . ?
C3 C2 C6 C5 0.5(7) . . . . ?
C1 C2 C6 C5 -171.1(6) . . . . ?
Mo1 C2 C6 C5 64.0(4) . . . . ?
C3 C2 C6 C10 170.4(6) . . . . ?
C1 C2 C6 C10 -1.1(11) . . . . ?
Mo1 C2 C6 C10 -126.0(7) . . . . ?
C3 C2 C6 Mo1 -63.6(4) . . . . ?
C1 C2 C6 Mo1 124.9(6) . . . . ?
C4 C5 C6 C2 0.0(7) . . . . ?
C9 C5 C6 C2 171.6(6) . . . . ?
Mo1 C5 C6 C2 -66.2(4) . . . . ?
C4 C5 C6 C10 -169.9(6) . . . . ?
C9 C5 C6 C10 1.8(11) . . . . ?
Mo1 C5 C6 C10 123.9(7) . . . . ?
C4 C5 C6 Mo1 66.2(4) . . . . ?
C9 C5 C6 Mo1 -122.2(7) . . . . ?
C16 C12 C13 C14 -0.8(7) . . . . ?
C11 C12 C13 C14 -168.7(6) . . . . ?
Mo2 C12 C13 C14 63.9(4) . . . . ?
C16 C12 C13 C17 174.7(6) . . . . ?
C11 C12 C13 C17 6.9(10) . . . . ?
Mo2 C12 C13 C17 -120.6(6) . . . . ?
C16 C12 C13 Mo2 -64.7(4) . . . . ?
C11 C12 C13 Mo2 127.4(6) . . . . ?
C12 C13 C14 C15 1.3(7) . . . . ?
C17 C13 C14 C15 -174.1(6) . . . . ?
Mo2 C13 C14 C15 65.5(4) . . . . ?
C12 C13 C14 C18 174.5(6) . . . . ?
C17 C13 C14 C18 -1.0(10) . . . . ?
Mo2 C13 C14 C18 -121.3(6) . . . . ?
C12 C13 C14 Mo2 -64.3(4) . . . . ?
C17 C13 C14 Mo2 120.3(6) . . . . ?
C13 C14 C15 C16 -1.3(6) . . . . ?
C18 C14 C15 C16 -174.7(6) . . . . ?
Mo2 C14 C15 C16 63.9(4) . . . . ?
C13 C14 C15 C19 171.4(6) . . . . ?
C18 C14 C15 C19 -2.1(9) . . . . ?
Mo2 C14 C15 C19 -123.5(6) . . . . ?
C13 C14 C15 Mo2 -65.1(4) . . . . ?
C18 C14 C15 Mo2 121.4(6) . . . . ?
C13 C12 C16 C15 0.0(7) . . . . ?
C11 C12 C16 C15 167.9(6) . . . . ?
Mo2 C12 C16 C15 -64.2(4) . . . . ?
C13 C12 C16 C20 -169.3(6) . . . . ?
C11 C12 C16 C20 -1.4(10) . . . . ?
Mo2 C12 C16 C20 126.5(6) . . . . ?
C13 C12 C16 Mo2 64.1(4) . . . . ?
C11 C12 C16 Mo2 -127.9(6) . . . . ?
C14 C15 C16 C12 0.8(7) . . . . ?
C19 C15 C16 C12 -171.5(6) . . . . ?
Mo2 C15 C16 C12 64.0(4) . . . . ?
C14 C15 C16 C20 169.9(6) . . . . ?
C19 C15 C16 C20 -2.5(10) . . . . ?
Mo2 C15 C16 C20 -127.0(6) . . . . ?
C14 C15 C16 Mo2 -63.2(4) . . . . ?
C19 C15 C16 Mo2 124.5(6) . . . . ?
Mo2 B1 B2 B3 39.5(5) . . . . ?
Mo1 B1 B2 B3 -55.2(5) . . . . ?
Mo2 B1 B2 Mo1 94.7(2) . . . . ?
Mo1 B1 B2 Mo2 -94.7(2) . . . . ?
B1 B2 B3 Mo2 -39.8(5) . . . . ?
Mo1 B2 B3 Mo2 -93.7(2) . . . . ?
B1 B2 B3 Mo1 53.8(5) . . . . ?
Mo2 B2 B3 Mo1 93.7(2) . . . . ?
B1 B2 B3 W1 13.3(9) . . . . ?
Mo1 B2 B3 W1 -40.5(5) . . . . ?
Mo2 B2 B3 W1 53.1(5) . . . . ?
O6 C25 Mo1 B2 119(4) . . . . ?
O6 C25 Mo1 B1 106(4) . . . . ?
O6 C25 Mo1 C5 13(4) . . . . ?
O6 C25 Mo1 B3 170(4) . . . . ?
O6 C25 Mo1 C6 -23(4) . . . . ?
O6 C25 Mo1 C4 28(4) . . . . ?
O6 C25 Mo1 C3 -6(4) . . . . ?
O6 C25 Mo1 C2 -39(4) . . . . ?
O6 C25 Mo1 C24 -110(4) . . . . ?
O6 C25 Mo1 Mo2 154(4) . . . . ?
O6 C25 Mo1 W1 -148(4) . . . . ?
B1 B2 Mo1 C25 -17.0(4) . . . . ?
B3 B2 Mo1 C25 115.9(4) . . . . ?
Mo2 B2 Mo1 C25 49.7(3) . . . . ?
B3 B2 Mo1 B1 132.9(5) . . . . ?
Mo2 B2 Mo1 B1 66.8(4) . . . . ?
B1 B2 Mo1 C5 77.7(4) . . . . ?
B3 B2 Mo1 C5 -149.5(3) . . . . ?
Mo2 B2 Mo1 C5 144.4(2) . . . . ?
B1 B2 Mo1 B3 -132.9(5) . . . . ?
Mo2 B2 Mo1 B3 -66.1(3) . . . . ?
B1 B2 Mo1 C6 96.3(5) . . . . ?
B3 B2 Mo1 C6 -130.9(4) . . . . ?
Mo2 B2 Mo1 C6 163.0(3) . . . . ?
B1 B2 Mo1 C4 101.1(4) . . . . ?
B3 B2 Mo1 C4 -126.1(4) . . . . ?
Mo2 B2 Mo1 C4 167.8(3) . . . . ?
B1 B2 Mo1 C3 134.4(4) . . . . ?
B3 B2 Mo1 C3 -92.7(3) . . . . ?
Mo2 B2 Mo1 C3 -158.8(2) . . . . ?
B1 B2 Mo1 C2 139.8(4) . . . . ?
B3 B2 Mo1 C2 -87.4(4) . . . . ?
Mo2 B2 Mo1 C2 -153.5(2) . . . . ?
B1 B2 Mo1 C24 -105.9(4) . . . . ?
B3 B2 Mo1 C24 27.0(5) . . . . ?
Mo2 B2 Mo1 C24 -39.1(4) . . . . ?
B1 B2 Mo1 Mo2 -66.8(4) . . . . ?
B3 B2 Mo1 Mo2 66.1(3) . . . . ?
B1 B2 Mo1 W1 -110.7(3) . . . . ?
B3 B2 Mo1 W1 22.2(3) . . . . ?
Mo2 B2 Mo1 W1 -43.89(19) . . . . ?
B2 B1 Mo1 C25 163.1(4) . . . . ?
Mo2 B1 Mo1 C25 96.0(3) . . . . ?
Mo2 B1 Mo1 B2 -67.1(3) . . . . ?
B2 B1 Mo1 C5 -109.8(4) . . . . ?
Mo2 B1 Mo1 C5 -176.9(3) . . . . ?
B2 B1 Mo1 B3 31.8(4) . . . . ?
Mo2 B1 Mo1 B3 -35.3(3) . . . . ?
B2 B1 Mo1 C6 -126.0(4) . . . . ?
Mo2 B1 Mo1 C6 166.9(2) . . . . ?
B2 B1 Mo1 C4 -74.9(4) . . . . ?
Mo2 B1 Mo1 C4 -142.0(3) . . . . ?
B2 B1 Mo1 C3 -56.0(4) . . . . ?
Mo2 B1 Mo1 C3 -123.1(3) . . . . ?
B2 B1 Mo1 C2 -86.8(6) . . . . ?
Mo2 B1 Mo1 C2 -153.9(3) . . . . ?
B2 B1 Mo1 C24 116.8(4) . . . . ?
Mo2 B1 Mo1 C24 49.7(4) . . . . ?
B2 B1 Mo1 Mo2 67.1(3) . . . . ?
B2 B1 Mo1 W1 76.5(4) . . . . ?
Mo2 B1 Mo1 W1 9.4(3) . . . . ?
C4 C5 Mo1 C25 156.0(4) . . . . ?
C6 C5 Mo1 C25 -88.5(4) . . . . ?
C9 C5 Mo1 C25 32.4(7) . . . . ?
C4 C5 Mo1 B2 43.0(5) . . . . ?
C6 C5 Mo1 B2 158.4(4) . . . . ?
C9 C5 Mo1 B2 -80.6(8) . . . . ?
C4 C5 Mo1 B1 87.8(4) . . . . ?
C6 C5 Mo1 B1 -156.8(4) . . . . ?
C9 C5 Mo1 B1 -35.8(8) . . . . ?
C4 C5 Mo1 B3 7.5(6) . . . . ?
C6 C5 Mo1 B3 122.9(5) . . . . ?
C9 C5 Mo1 B3 -116.1(7) . . . . ?
C4 C5 Mo1 C6 -115.5(6) . . . . ?
C9 C5 Mo1 C6 121.0(9) . . . . ?
C6 C5 Mo1 C4 115.5(6) . . . . ?
C9 C5 Mo1 C4 -123.5(9) . . . . ?
C4 C5 Mo1 C3 -37.2(4) . . . . ?
C6 C5 Mo1 C3 78.2(4) . . . . ?
C9 C5 Mo1 C3 -160.8(8) . . . . ?
C4 C5 Mo1 C2 -78.1(4) . . . . ?
C6 C5 Mo1 C2 37.4(4) . . . . ?
C9 C5 Mo1 C2 158.4(8) . . . . ?
C4 C5 Mo1 C24 -134.0(4) . . . . ?
C6 C5 Mo1 C24 -18.6(5) . . . . ?
C9 C5 Mo1 C24 102.4(7) . . . . ?
C4 C5 Mo1 Mo2 84.3(4) . . . . ?
C6 C5 Mo1 Mo2 -160.3(3) . . . . ?
C9 C5 Mo1 Mo2 -39.3(9) . . . . ?
C4 C5 Mo1 W1 -110.9(6) . . . . ?
C6 C5 Mo1 W1 4.6(9) . . . . ?
C9 C5 Mo1 W1 125.5(7) . . . . ?
B2 B3 Mo1 C25 -89.4(4) . . . . ?
Mo2 B3 Mo1 C25 -21.5(4) . . . . ?
W1 B3 Mo1 C25 61.1(3) . . . . ?
Mo2 B3 Mo1 B2 68.0(3) . . . . ?
W1 B3 Mo1 B2 150.5(4) . . . . ?
B2 B3 Mo1 B1 -32.2(4) . . . . ?
Mo2 B3 Mo1 B1 35.7(3) . . . . ?
W1 B3 Mo1 B1 118.3(3) . . . . ?
B2 B3 Mo1 C5 51.6(5) . . . . ?
Mo2 B3 Mo1 C5 119.6(3) . . . . ?
W1 B3 Mo1 C5 -157.9(3) . . . . ?
B2 B3 Mo1 C6 113.5(5) . . . . ?
Mo2 B3 Mo1 C6 -178.5(3) . . . . ?
W1 B3 Mo1 C6 -95.9(4) . . . . ?
B2 B3 Mo1 C4 56.1(4) . . . . ?
Mo2 B3 Mo1 C4 124.0(2) . . . . ?
W1 B3 Mo1 C4 -153.4(2) . . . . ?
B2 B3 Mo1 C3 88.3(4) . . . . ?
Mo2 B3 Mo1 C3 156.2(2) . . . . ?
W1 B3 Mo1 C3 -121.2(2) . . . . ?
B2 B3 Mo1 C2 117.5(4) . . . . ?
Mo2 B3 Mo1 C2 -174.54(19) . . . . ?
W1 B3 Mo1 C2 -92.0(2) . . . . ?
B2 B3 Mo1 C24 -160.6(4) . . . . ?
Mo2 B3 Mo1 C24 -92.7(2) . . . . ?
W1 B3 Mo1 C24 -10.1(2) . . . . ?
B2 B3 Mo1 Mo2 -68.0(3) . . . . ?
W1 B3 Mo1 Mo2 82.6(2) . . . . ?
B2 B3 Mo1 W1 -150.5(4) . . . . ?
Mo2 B3 Mo1 W1 -82.6(2) . . . . ?
C2 C6 Mo1 C25 -154.6(4) . . . . ?
C5 C6 Mo1 C25 90.1(4) . . . . ?
C10 C6 Mo1 C25 -31.7(7) . . . . ?
C2 C6 Mo1 B2 83.4(5) . . . . ?
C5 C6 Mo1 B2 -31.8(6) . . . . ?
C10 C6 Mo1 B2 -153.7(6) . . . . ?
C2 C6 Mo1 B1 143.9(4) . . . . ?
C5 C6 Mo1 B1 28.6(5) . . . . ?
C10 C6 Mo1 B1 -93.2(7) . . . . ?
C2 C6 Mo1 C5 115.3(6) . . . . ?
C10 C6 Mo1 C5 -121.8(8) . . . . ?
C2 C6 Mo1 B3 6.4(7) . . . . ?
C5 C6 Mo1 B3 -108.8(5) . . . . ?
C10 C6 Mo1 B3 129.3(6) . . . . ?
C2 C6 Mo1 C4 77.9(4) . . . . ?
C5 C6 Mo1 C4 -37.4(4) . . . . ?
C10 C6 Mo1 C4 -159.2(8) . . . . ?
C2 C6 Mo1 C3 36.7(4) . . . . ?
C5 C6 Mo1 C3 -78.6(4) . . . . ?
C10 C6 Mo1 C3 159.5(8) . . . . ?
C5 C6 Mo1 C2 -115.3(6) . . . . ?
C10 C6 Mo1 C2 122.9(8) . . . . ?
C2 C6 Mo1 C24 -80.6(4) . . . . ?
C5 C6 Mo1 C24 164.1(4) . . . . ?
C10 C6 Mo1 C24 42.3(7) . . . . ?
C2 C6 Mo1 Mo2 -168.7(6) . . . . ?
C5 C6 Mo1 Mo2 76.0(9) . . . . ?
C10 C6 Mo1 Mo2 -45.8(13) . . . . ?
C2 C6 Mo1 W1 -62.9(4) . . . . ?
C5 C6 Mo1 W1 -178.2(3) . . . . ?
C10 C6 Mo1 W1 60.0(7) . . . . ?
C5 C4 Mo1 C25 -27.9(5) . . . . ?
C3 C4 Mo1 C25 -144.0(4) . . . . ?
C8 C4 Mo1 C25 93.5(8) . . . . ?
C5 C4 Mo1 B2 -138.2(4) . . . . ?
C3 C4 Mo1 B2 105.8(4) . . . . ?
C8 C4 Mo1 B2 -16.7(8) . . . . ?
C5 C4 Mo1 B1 -93.2(4) . . . . ?
C3 C4 Mo1 B1 150.8(4) . . . . ?
C8 C4 Mo1 B1 28.3(8) . . . . ?
C3 C4 Mo1 C5 -116.0(6) . . . . ?
C8 C4 Mo1 C5 121.5(9) . . . . ?
C5 C4 Mo1 B3 -175.1(4) . . . . ?
C3 C4 Mo1 B3 68.8(4) . . . . ?
C8 C4 Mo1 B3 -53.7(8) . . . . ?
C5 C4 Mo1 C6 38.0(4) . . . . ?
C3 C4 Mo1 C6 -78.0(4) . . . . ?
C8 C4 Mo1 C6 159.5(9) . . . . ?
C5 C4 Mo1 C3 116.0(6) . . . . ?
C8 C4 Mo1 C3 -122.5(9) . . . . ?
C5 C4 Mo1 C2 79.3(4) . . . . ?
C3 C4 Mo1 C2 -36.7(4) . . . . ?
C8 C4 Mo1 C2 -159.2(8) . . . . ?
C5 C4 Mo1 C24 72.5(5) . . . . ?
C3 C4 Mo1 C24 -43.5(6) . . . . ?
C8 C4 Mo1 C24 -166.0(6) . . . . ?
C5 C4 Mo1 Mo2 -127.1(3) . . . . ?
C3 C4 Mo1 Mo2 116.9(3) . . . . ?
C8 C4 Mo1 Mo2 -5.7(8) . . . . ?
C5 C4 Mo1 W1 145.4(3) . . . . ?
C3 C4 Mo1 W1 29.4(6) . . . . ?
C8 C4 Mo1 W1 -93.1(8) . . . . ?
C2 C3 Mo1 C25 -56.5(6) . . . . ?
C4 C3 Mo1 C25 60.2(6) . . . . ?
C7 C3 Mo1 C25 -179.5(6) . . . . ?
C2 C3 Mo1 B2 172.2(4) . . . . ?
C4 C3 Mo1 B2 -71.2(4) . . . . ?
C7 C3 Mo1 B2 49.2(6) . . . . ?
C2 C3 Mo1 B1 -151.1(4) . . . . ?
C4 C3 Mo1 B1 -34.5(5) . . . . ?
C7 C3 Mo1 B1 85.9(7) . . . . ?
C2 C3 Mo1 C5 -79.3(4) . . . . ?
C4 C3 Mo1 C5 37.4(4) . . . . ?
C7 C3 Mo1 C5 157.7(7) . . . . ?
C2 C3 Mo1 B3 126.7(4) . . . . ?
C4 C3 Mo1 B3 -116.6(4) . . . . ?
C7 C3 Mo1 B3 3.7(6) . . . . ?
C2 C3 Mo1 C6 -37.1(4) . . . . ?
C4 C3 Mo1 C6 79.6(4) . . . . ?
C7 C3 Mo1 C6 -160.1(7) . . . . ?
C2 C3 Mo1 C4 -116.7(6) . . . . ?
C7 C3 Mo1 C4 120.3(8) . . . . ?
C4 C3 Mo1 C2 116.7(6) . . . . ?
C7 C3 Mo1 C2 -123.0(8) . . . . ?
C2 C3 Mo1 C24 34.9(4) . . . . ?
C4 C3 Mo1 C24 151.6(4) . . . . ?
C7 C3 Mo1 C24 -88.1(6) . . . . ?
C2 C3 Mo1 Mo2 150.6(3) . . . . ?
C4 C3 Mo1 Mo2 -92.7(4) . . . . ?
C7 C3 Mo1 Mo2 27.6(7) . . . . ?
C2 C3 Mo1 W1 80.3(4) . . . . ?
C4 C3 Mo1 W1 -163.0(3) . . . . ?
C7 C3 Mo1 W1 -42.7(6) . . . . ?
C3 C2 Mo1 C25 145.9(4) . . . . ?
C6 C2 Mo1 C25 29.3(5) . . . . ?
C1 C2 Mo1 C25 -92.2(6) . . . . ?
C3 C2 Mo1 B2 -9.5(5) . . . . ?
C6 C2 Mo1 B2 -126.2(4) . . . . ?
C1 C2 Mo1 B2 112.3(6) . . . . ?
C3 C2 Mo1 B1 51.2(7) . . . . ?
C6 C2 Mo1 B1 -65.5(6) . . . . ?
C1 C2 Mo1 B1 173.0(6) . . . . ?
C3 C2 Mo1 C5 78.5(4) . . . . ?
C6 C2 Mo1 C5 -38.2(4) . . . . ?
C1 C2 Mo1 C5 -159.7(7) . . . . ?
C3 C2 Mo1 B3 -59.5(4) . . . . ?
C6 C2 Mo1 B3 -176.2(4) . . . . ?
C1 C2 Mo1 B3 62.3(6) . . . . ?
C3 C2 Mo1 C6 116.7(6) . . . . ?
C1 C2 Mo1 C6 -121.5(8) . . . . ?
C3 C2 Mo1 C4 37.0(4) . . . . ?
C6 C2 Mo1 C4 -79.6(4) . . . . ?
C1 C2 Mo1 C4 158.9(7) . . . . ?
C6 C2 Mo1 C3 -116.7(6) . . . . ?
C1 C2 Mo1 C3 121.9(7) . . . . ?
C3 C2 Mo1 C24 -147.4(4) . . . . ?
C6 C2 Mo1 C24 96.0(4) . . . . ?
C1 C2 Mo1 C24 -25.5(6) . . . . ?
C3 C2 Mo1 Mo2 -70.1(6) . . . . ?
C6 C2 Mo1 Mo2 173.3(3) . . . . ?
C1 C2 Mo1 Mo2 51.8(8) . . . . ?
C3 C2 Mo1 W1 -112.2(3) . . . . ?
C6 C2 Mo1 W1 131.2(4) . . . . ?
C1 C2 Mo1 W1 9.7(6) . . . . ?
O5 C24 Mo1 C25 69.1(6) . . . . ?
W1 C24 Mo1 C25 -113.4(3) . . . . ?
O5 C24 Mo1 B2 175.3(5) . . . . ?
W1 C24 Mo1 B2 -7.2(4) . . . . ?
O5 C24 Mo1 B1 113.5(6) . . . . ?
W1 C24 Mo1 B1 -69.0(4) . . . . ?
O5 C24 Mo1 C5 -8.6(6) . . . . ?
W1 C24 Mo1 C5 168.8(2) . . . . ?
O5 C24 Mo1 B3 -165.8(6) . . . . ?
W1 C24 Mo1 B3 11.7(2) . . . . ?
O5 C24 Mo1 C6 -19.3(6) . . . . ?
W1 C24 Mo1 C6 158.2(2) . . . . ?
O5 C24 Mo1 C4 -48.2(7) . . . . ?
W1 C24 Mo1 C4 129.3(3) . . . . ?
O5 C24 Mo1 C3 -73.1(6) . . . . ?
W1 C24 Mo1 C3 104.4(2) . . . . ?
O5 C24 Mo1 C2 -54.0(5) . . . . ?
W1 C24 Mo1 C2 123.4(2) . . . . ?
O5 C24 Mo1 Mo2 147.6(5) . . . . ?
W1 C24 Mo1 Mo2 -34.90(16) . . . . ?
O5 C24 Mo1 W1 -177.5(7) . . . . ?
Mo1 B3 Mo2 B2 -62.0(3) . . . . ?
W1 B3 Mo2 B2 -142.9(4) . . . . ?
B2 B3 Mo2 B1 25.5(4) . . . . ?
Mo1 B3 Mo2 B1 -36.5(3) . . . . ?
W1 B3 Mo2 B1 -117.4(3) . . . . ?
B2 B3 Mo2 C14 -112.5(4) . . . . ?
Mo1 B3 Mo2 C14 -174.5(3) . . . . ?
W1 B3 Mo2 C14 104.6(4) . . . . ?
B2 B3 Mo2 C13 -63.7(4) . . . . ?
Mo1 B3 Mo2 C13 -125.7(2) . . . . ?
W1 B3 Mo2 C13 153.4(2) . . . . ?
B2 B3 Mo2 C12 -71.7(3) . . . . ?
Mo1 B3 Mo2 C12 -133.7(2) . . . . ?
W1 B3 Mo2 C12 145.4(2) . . . . ?
B2 B3 Mo2 C16 -105.2(3) . . . . ?
Mo1 B3 Mo2 C16 -167.1(2) . . . . ?
W1 B3 Mo2 C16 112.0(2) . . . . ?
B2 B3 Mo2 C15 -129.7(3) . . . . ?
Mo1 B3 Mo2 C15 168.33(17) . . . . ?
W1 B3 Mo2 C15 87.4(2) . . . . ?
B2 B3 Mo2 Cl1 137.0(3) . . . . ?
Mo1 B3 Mo2 Cl1 74.99(17) . . . . ?
W1 B3 Mo2 Cl1 -5.9(2) . . . . ?
B2 B3 Mo2 W1 142.9(4) . . . . ?
Mo1 B3 Mo2 W1 80.9(2) . . . . ?
B2 B3 Mo2 Mo1 62.0(3) . . . . ?
W1 B3 Mo2 Mo1 -80.9(2) . . . . ?
B1 B2 Mo2 B3 143.5(5) . . . . ?
Mo1 B2 Mo2 B3 73.3(3) . . . . ?
B3 B2 Mo2 B1 -143.5(5) . . . . ?
Mo1 B2 Mo2 B1 -70.2(3) . . . . ?
B1 B2 Mo2 C14 -86.9(4) . . . . ?
B3 B2 Mo2 C14 129.7(4) . . . . ?
Mo1 B2 Mo2 C14 -157.0(2) . . . . ?
B1 B2 Mo2 C13 -80.6(4) . . . . ?
B3 B2 Mo2 C13 135.9(3) . . . . ?
Mo1 B2 Mo2 C13 -150.8(2) . . . . ?
B1 B2 Mo2 C12 -109.4(4) . . . . ?
B3 B2 Mo2 C12 107.2(4) . . . . ?
Mo1 B2 Mo2 C12 -179.5(3) . . . . ?
B1 B2 Mo2 C16 -139.6(4) . . . . ?
B3 B2 Mo2 C16 77.0(4) . . . . ?
Mo1 B2 Mo2 C16 150.3(2) . . . . ?
B1 B2 Mo2 C15 -137.1(4) . . . . ?
B3 B2 Mo2 C15 79.4(4) . . . . ?
Mo1 B2 Mo2 C15 152.8(2) . . . . ?
B1 B2 Mo2 Cl1 76.0(4) . . . . ?
B3 B2 Mo2 Cl1 -67.5(4) . . . . ?
Mo1 B2 Mo2 Cl1 5.8(4) . . . . ?
B1 B2 Mo2 W1 115.1(3) . . . . ?
B3 B2 Mo2 W1 -28.3(3) . . . . ?
Mo1 B2 Mo2 W1 45.0(2) . . . . ?
B1 B2 Mo2 Mo1 70.2(3) . . . . ?
B3 B2 Mo2 Mo1 -73.3(3) . . . . ?
B2 B1 Mo2 B3 -25.8(4) . . . . ?
Mo1 B1 Mo2 B3 38.0(3) . . . . ?
Mo1 B1 Mo2 B2 63.8(3) . . . . ?
B2 B1 Mo2 C14 128.2(3) . . . . ?
Mo1 B1 Mo2 C14 -168.06(19) . . . . ?
B2 B1 Mo2 C13 104.6(4) . . . . ?
Mo1 B1 Mo2 C13 168.4(3) . . . . ?
B2 B1 Mo2 C12 70.0(4) . . . . ?
Mo1 B1 Mo2 C12 133.8(2) . . . . ?
B2 B1 Mo2 C16 57.3(5) . . . . ?
Mo1 B1 Mo2 C16 121.0(3) . . . . ?
B2 B1 Mo2 C15 104.6(6) . . . . ?
Mo1 B1 Mo2 C15 168.4(4) . . . . ?
B2 B1 Mo2 Cl1 -132.5(3) . . . . ?
Mo1 B1 Mo2 Cl1 -68.7(3) . . . . ?
B2 B1 Mo2 W1 -73.5(3) . . . . ?
Mo1 B1 Mo2 W1 -9.8(3) . . . . ?
B2 B1 Mo2 Mo1 -63.8(3) . . . . ?
C13 C14 Mo2 B3 86.8(5) . . . . ?
C15 C14 Mo2 B3 -28.3(6) . . . . ?
C18 C14 Mo2 B3 -149.2(6) . . . . ?
C13 C14 Mo2 B2 10.7(5) . . . . ?
C15 C14 Mo2 B2 -104.4(5) . . . . ?
C18 C14 Mo2 B2 134.8(6) . . . . ?
C13 C14 Mo2 B1 -44.1(5) . . . . ?
C15 C14 Mo2 B1 -159.2(4) . . . . ?
C18 C14 Mo2 B1 80.0(6) . . . . ?
C15 C14 Mo2 C13 -115.1(5) . . . . ?
C18 C14 Mo2 C13 124.1(7) . . . . ?
C13 C14 Mo2 C12 37.0(3) . . . . ?
C15 C14 Mo2 C12 -78.1(4) . . . . ?
C18 C14 Mo2 C12 161.1(7) . . . . ?
C13 C14 Mo2 C16 78.1(4) . . . . ?
C15 C14 Mo2 C16 -37.0(3) . . . . ?
C18 C14 Mo2 C16 -157.8(7) . . . . ?
C13 C14 Mo2 C15 115.1(5) . . . . ?
C18 C14 Mo2 C15 -120.8(7) . . . . ?
C13 C14 Mo2 Cl1 -157.2(3) . . . . ?
C15 C14 Mo2 Cl1 87.7(3) . . . . ?
C18 C14 Mo2 Cl1 -33.1(6) . . . . ?
C13 C14 Mo2 W1 162.2(3) . . . . ?
C15 C14 Mo2 W1 47.1(4) . . . . ?
C18 C14 Mo2 W1 -73.7(6) . . . . ?
C13 C14 Mo2 Mo1 -77.9(6) . . . . ?
C15 C14 Mo2 Mo1 167.0(4) . . . . ?
C18 C14 Mo2 Mo1 46.2(10) . . . . ?
C14 C13 Mo2 B3 -130.5(4) . . . . ?
C12 C13 Mo2 B3 -13.8(5) . . . . ?
C17 C13 Mo2 B3 106.8(6) . . . . ?
C14 C13 Mo2 B2 -172.4(4) . . . . ?
C12 C13 Mo2 B2 -55.8(4) . . . . ?
C17 C13 Mo2 B2 64.9(6) . . . . ?
C14 C13 Mo2 B1 142.1(4) . . . . ?
C12 C13 Mo2 B1 -101.3(4) . . . . ?
C17 C13 Mo2 B1 19.4(6) . . . . ?
C12 C13 Mo2 C14 116.6(5) . . . . ?
C17 C13 Mo2 C14 -122.7(7) . . . . ?
C14 C13 Mo2 C12 -116.6(5) . . . . ?
C17 C13 Mo2 C12 120.7(7) . . . . ?
C14 C13 Mo2 C16 -79.4(4) . . . . ?
C12 C13 Mo2 C16 37.3(3) . . . . ?
C17 C13 Mo2 C16 157.9(7) . . . . ?
C14 C13 Mo2 C15 -38.0(3) . . . . ?
C12 C13 Mo2 C15 78.7(4) . . . . ?
C17 C13 Mo2 C15 -160.7(7) . . . . ?
C14 C13 Mo2 Cl1 26.5(4) . . . . ?
C12 C13 Mo2 Cl1 143.1(3) . . . . ?
C17 C13 Mo2 Cl1 -96.2(6) . . . . ?
C14 C13 Mo2 W1 -42.9(7) . . . . ?
C12 C13 Mo2 W1 73.8(6) . . . . ?
C17 C13 Mo2 W1 -165.6(4) . . . . ?
C14 C13 Mo2 Mo1 155.4(3) . . . . ?
C12 C13 Mo2 Mo1 -88.0(4) . . . . ?
C17 C13 Mo2 Mo1 32.7(7) . . . . ?
C16 C12 Mo2 B3 -74.8(4) . . . . ?
C13 C12 Mo2 B3 169.4(4) . . . . ?
C11 C12 Mo2 B3 47.4(7) . . . . ?
C16 C12 Mo2 B2 -119.4(4) . . . . ?
C13 C12 Mo2 B2 124.8(4) . . . . ?
C11 C12 Mo2 B2 2.8(6) . . . . ?
C16 C12 Mo2 B1 -162.8(4) . . . . ?
C13 C12 Mo2 B1 81.4(4) . . . . ?
C11 C12 Mo2 B1 -40.7(7) . . . . ?
C16 C12 Mo2 C14 78.8(4) . . . . ?
C13 C12 Mo2 C14 -37.0(4) . . . . ?
C11 C12 Mo2 C14 -159.0(7) . . . . ?
C16 C12 Mo2 C13 115.8(5) . . . . ?
C11 C12 Mo2 C13 -122.1(8) . . . . ?
C13 C12 Mo2 C16 -115.8(5) . . . . ?
C11 C12 Mo2 C16 122.1(8) . . . . ?
C16 C12 Mo2 C15 37.2(4) . . . . ?
C13 C12 Mo2 C15 -78.6(4) . . . . ?
C11 C12 Mo2 C15 159.3(7) . . . . ?
C16 C12 Mo2 Cl1 54.3(5) . . . . ?
C13 C12 Mo2 Cl1 -61.5(5) . . . . ?
C11 C12 Mo2 Cl1 176.4(5) . . . . ?
C16 C12 Mo2 W1 -35.5(5) . . . . ?
C13 C12 Mo2 W1 -151.3(3) . . . . ?
C11 C12 Mo2 W1 86.6(6) . . . . ?
C16 C12 Mo2 Mo1 -119.8(3) . . . . ?
C13 C12 Mo2 Mo1 124.4(3) . . . . ?
C11 C12 Mo2 Mo1 2.4(7) . . . . ?
C12 C16 Mo2 B3 106.0(4) . . . . ?
C15 C16 Mo2 B3 -137.7(4) . . . . ?
C20 C16 Mo2 B3 -14.4(6) . . . . ?
C12 C16 Mo2 B2 60.5(4) . . . . ?
C15 C16 Mo2 B2 176.8(4) . . . . ?
C20 C16 Mo2 B2 -59.9(6) . . . . ?
C12 C16 Mo2 B1 22.6(5) . . . . ?
C15 C16 Mo2 B1 138.9(4) . . . . ?
C20 C16 Mo2 B1 -97.8(6) . . . . ?
C12 C16 Mo2 C14 -79.0(4) . . . . ?
C15 C16 Mo2 C14 37.3(4) . . . . ?
C20 C16 Mo2 C14 160.6(7) . . . . ?
C12 C16 Mo2 C13 -37.6(4) . . . . ?
C15 C16 Mo2 C13 78.8(4) . . . . ?
C20 C16 Mo2 C13 -157.9(7) . . . . ?
C15 C16 Mo2 C12 116.3(5) . . . . ?
C20 C16 Mo2 C12 -120.4(7) . . . . ?
C12 C16 Mo2 C15 -116.3(5) . . . . ?
C20 C16 Mo2 C15 123.3(7) . . . . ?
C12 C16 Mo2 Cl1 -147.2(3) . . . . ?
C15 C16 Mo2 Cl1 -30.8(4) . . . . ?
C20 C16 Mo2 Cl1 92.5(6) . . . . ?
C12 C16 Mo2 W1 155.0(3) . . . . ?
C15 C16 Mo2 W1 -88.7(4) . . . . ?
C20 C16 Mo2 W1 34.6(6) . . . . ?
C12 C16 Mo2 Mo1 91.5(4) . . . . ?
C15 C16 Mo2 Mo1 -152.2(3) . . . . ?
C20 C16 Mo2 Mo1 -28.9(7) . . . . ?
C16 C15 Mo2 B3 46.4(4) . . . . ?
C14 C15 Mo2 B3 162.8(4) . . . . ?
C19 C15 Mo2 B3 -77.8(6) . . . . ?
C16 C15 Mo2 B2 -4.3(5) . . . . ?
C14 C15 Mo2 B2 112.1(4) . . . . ?
C19 C15 Mo2 B2 -128.5(6) . . . . ?
C16 C15 Mo2 B1 -78.6(7) . . . . ?
C14 C15 Mo2 B1 37.8(7) . . . . ?
C19 C15 Mo2 B1 157.2(6) . . . . ?
C16 C15 Mo2 C14 -116.4(5) . . . . ?
C19 C15 Mo2 C14 119.5(7) . . . . ?
C16 C15 Mo2 C13 -78.6(4) . . . . ?
C14 C15 Mo2 C13 37.7(3) . . . . ?
C19 C15 Mo2 C13 157.2(7) . . . . ?
C16 C15 Mo2 C12 -37.1(4) . . . . ?
C14 C15 Mo2 C12 79.3(4) . . . . ?
C19 C15 Mo2 C12 -161.2(7) . . . . ?
C14 C15 Mo2 C16 116.4(5) . . . . ?
C19 C15 Mo2 C16 -124.2(8) . . . . ?
C16 C15 Mo2 Cl1 153.0(4) . . . . ?
C14 C15 Mo2 Cl1 -90.7(3) . . . . ?
C19 C15 Mo2 Cl1 28.8(6) . . . . ?
C16 C15 Mo2 W1 99.6(3) . . . . ?
C14 C15 Mo2 W1 -144.0(3) . . . . ?
C19 C15 Mo2 W1 -24.6(6) . . . . ?
C16 C15 Mo2 Mo1 74.5(6) . . . . ?
C14 C15 Mo2 Mo1 -169.2(3) . . . . ?
C19 C15 Mo2 Mo1 -49.7(8) . . . . ?
W1 Cl1 Mo2 B3 5.67(19) . . . . ?
W1 Cl1 Mo2 B2 50.4(3) . . . . ?
W1 Cl1 Mo2 B1 99.3(2) . . . . ?
W1 Cl1 Mo2 C14 -141.42(15) . . . . ?
W1 Cl1 Mo2 C13 -156.26(18) . . . . ?
W1 Cl1 Mo2 C12 -120.6(3) . . . . ?
W1 Cl1 Mo2 C16 -89.10(18) . . . . ?
W1 Cl1 Mo2 C15 -106.19(16) . . . . ?
W1 Cl1 Mo2 Mo1 54.61(3) . . . . ?
C25 Mo1 Mo2 B3 162.0(3) . . . . ?
B2 Mo1 Mo2 B3 -63.7(4) . . . . ?
B1 Mo1 Mo2 B3 -128.1(4) . . . . ?
C5 Mo1 Mo2 B3 -123.3(4) . . . . ?
C6 Mo1 Mo2 B3 176.3(8) . . . . ?
C4 Mo1 Mo2 B3 -78.6(3) . . . . ?
C3 Mo1 Mo2 B3 -33.8(3) . . . . ?
C2 Mo1 Mo2 B3 13.5(5) . . . . ?
C24 Mo1 Mo2 B3 88.8(3) . . . . ?
W1 Mo1 Mo2 B3 62.4(2) . . . . ?
C25 Mo1 Mo2 B2 -134.3(3) . . . . ?
B1 Mo1 Mo2 B2 -64.3(4) . . . . ?
C5 Mo1 Mo2 B2 -59.6(4) . . . . ?
B3 Mo1 Mo2 B2 63.7(4) . . . . ?
C6 Mo1 Mo2 B2 -119.9(8) . . . . ?
C4 Mo1 Mo2 B2 -14.8(4) . . . . ?
C3 Mo1 Mo2 B2 29.9(4) . . . . ?
C2 Mo1 Mo2 B2 77.3(5) . . . . ?
C24 Mo1 Mo2 B2 152.6(3) . . . . ?
W1 Mo1 Mo2 B2 126.2(3) . . . . ?
C25 Mo1 Mo2 B1 -69.9(4) . . . . ?
B2 Mo1 Mo2 B1 64.3(4) . . . . ?
C5 Mo1 Mo2 B1 4.8(4) . . . . ?
B3 Mo1 Mo2 B1 128.1(4) . . . . ?
C6 Mo1 Mo2 B1 -55.6(9) . . . . ?
C4 Mo1 Mo2 B1 49.5(4) . . . . ?
C3 Mo1 Mo2 B1 94.3(4) . . . . ?
C2 Mo1 Mo2 B1 141.6(5) . . . . ?
C24 Mo1 Mo2 B1 -143.1(3) . . . . ?
W1 Mo1 Mo2 B1 -169.5(3) . . . . ?
C25 Mo1 Mo2 C14 -29.4(6) . . . . ?
B2 Mo1 Mo2 C14 104.9(6) . . . . ?
B1 Mo1 Mo2 C14 40.6(6) . . . . ?
C5 Mo1 Mo2 C14 45.4(6) . . . . ?
B3 Mo1 Mo2 C14 168.7(6) . . . . ?
C6 Mo1 Mo2 C14 -15.0(10) . . . . ?
C4 Mo1 Mo2 C14 90.1(6) . . . . ?
C3 Mo1 Mo2 C14 134.8(6) . . . . ?
C2 Mo1 Mo2 C14 -177.8(7) . . . . ?
C24 Mo1 Mo2 C14 -102.5(6) . . . . ?
W1 Mo1 Mo2 C14 -128.9(5) . . . . ?
C25 Mo1 Mo2 C13 -87.7(3) . . . . ?
B2 Mo1 Mo2 C13 46.6(4) . . . . ?
B1 Mo1 Mo2 C13 -17.8(4) . . . . ?
C5 Mo1 Mo2 C13 -13.0(4) . . . . ?
B3 Mo1 Mo2 C13 110.3(3) . . . . ?
C6 Mo1 Mo2 C13 -73.4(8) . . . . ?
C4 Mo1 Mo2 C13 31.7(3) . . . . ?
C3 Mo1 Mo2 C13 76.5(3) . . . . ?
C2 Mo1 Mo2 C13 123.8(5) . . . . ?
C24 Mo1 Mo2 C13 -160.8(3) . . . . ?
W1 Mo1 Mo2 C13 172.8(2) . . . . ?
C25 Mo1 Mo2 C12 -133.7(3) . . . . ?
B2 Mo1 Mo2 C12 0.6(3) . . . . ?
B1 Mo1 Mo2 C12 -63.8(4) . . . . ?
C5 Mo1 Mo2 C12 -59.0(4) . . . . ?
B3 Mo1 Mo2 C12 64.3(3) . . . . ?
C6 Mo1 Mo2 C12 -119.4(8) . . . . ?
C4 Mo1 Mo2 C12 -14.3(3) . . . . ?
C3 Mo1 Mo2 C12 30.5(3) . . . . ?
C2 Mo1 Mo2 C12 77.9(4) . . . . ?
C24 Mo1 Mo2 C12 153.2(2) . . . . ?
W1 Mo1 Mo2 C12 126.8(2) . . . . ?
C25 Mo1 Mo2 C16 -179.3(3) . . . . ?
B2 Mo1 Mo2 C16 -45.0(4) . . . . ?
B1 Mo1 Mo2 C16 -109.4(4) . . . . ?
C5 Mo1 Mo2 C16 -104.6(4) . . . . ?
B3 Mo1 Mo2 C16 18.7(3) . . . . ?
C6 Mo1 Mo2 C16 -165.0(8) . . . . ?
C4 Mo1 Mo2 C16 -59.9(3) . . . . ?
C3 Mo1 Mo2 C16 -15.1(3) . . . . ?
C2 Mo1 Mo2 C16 32.2(5) . . . . ?
C24 Mo1 Mo2 C16 107.5(3) . . . . ?
W1 Mo1 Mo2 C16 81.1(2) . . . . ?
C25 Mo1 Mo2 C15 127.9(5) . . . . ?
B2 Mo1 Mo2 C15 -97.8(5) . . . . ?
B1 Mo1 Mo2 C15 -162.1(5) . . . . ?
C5 Mo1 Mo2 C15 -157.3(5) . . . . ?
B3 Mo1 Mo2 C15 -34.0(5) . . . . ?
C6 Mo1 Mo2 C15 142.3(9) . . . . ?
C4 Mo1 Mo2 C15 -112.6(5) . . . . ?
C3 Mo1 Mo2 C15 -67.8(5) . . . . ?
C2 Mo1 Mo2 C15 -20.5(6) . . . . ?
C24 Mo1 Mo2 C15 54.8(4) . . . . ?
W1 Mo1 Mo2 C15 28.4(4) . . . . ?
C25 Mo1 Mo2 Cl1 49.8(2) . . . . ?
B2 Mo1 Mo2 Cl1 -175.9(3) . . . . ?
B1 Mo1 Mo2 Cl1 119.8(3) . . . . ?
C5 Mo1 Mo2 Cl1 124.6(3) . . . . ?
B3 Mo1 Mo2 Cl1 -112.2(2) . . . . ?
C6 Mo1 Mo2 Cl1 64.2(8) . . . . ?
C4 Mo1 Mo2 Cl1 169.3(2) . . . . ?
C3 Mo1 Mo2 Cl1 -146.0(2) . . . . ?
C2 Mo1 Mo2 Cl1 -98.6(4) . . . . ?
C24 Mo1 Mo2 Cl1 -23.32(15) . . . . ?
W1 Mo1 Mo2 Cl1 -49.71(4) . . . . ?
C25 Mo1 Mo2 W1 99.53(19) . . . . ?
B2 Mo1 Mo2 W1 -126.2(3) . . . . ?
B1 Mo1 Mo2 W1 169.5(3) . . . . ?
C5 Mo1 Mo2 W1 174.3(3) . . . . ?
B3 Mo1 Mo2 W1 -62.4(2) . . . . ?
C6 Mo1 Mo2 W1 113.9(8) . . . . ?
C4 Mo1 Mo2 W1 -141.0(2) . . . . ?
C3 Mo1 Mo2 W1 -96.3(2) . . . . ?
C2 Mo1 Mo2 W1 -48.9(4) . . . . ?
C24 Mo1 Mo2 W1 26.39(15) . . . . ?
O4 C23 W1 C21 1(17) . . . . ?
O4 C23 W1 C22 -81(17) . . . . ?
O4 C23 W1 C24 -160(17) . . . . ?
O4 C23 W1 B3 93(17) . . . . ?
O4 C23 W1 Cl1 121(16) . . . . ?
O4 C23 W1 Mo2 90(17) . . . . ?
O4 C23 W1 Mo1 142(17) . . . . ?
O2 C21 W1 C23 -32(6) . . . . ?
O2 C21 W1 C22 60(6) . . . . ?
O2 C21 W1 C24 39(6) . . . . ?
O2 C21 W1 B3 -110(6) . . . . ?
O2 C21 W1 Cl1 151(6) . . . . ?
O2 C21 W1 Mo2 -156(6) . . . . ?
O2 C21 W1 Mo1 -113(5) . . . . ?
O3 C22 W1 C23 -119(33) . . . . ?
O3 C22 W1 C21 158(33) . . . . ?
O3 C22 W1 C24 -29(33) . . . . ?
O3 C22 W1 B3 -148(32) . . . . ?
O3 C22 W1 Cl1 60(33) . . . . ?
O3 C22 W1 Mo2 74(33) . . . . ?
O3 C22 W1 Mo1 -28(33) . . . . ?
O5 C24 W1 C23 83.9(16) . . . . ?
Mo1 C24 W1 C23 -89.7(2) . . . . ?
O5 C24 W1 C21 14(2) . . . . ?
Mo1 C24 W1 C21 -159.5(8) . . . . ?
O5 C24 W1 C22 -7.0(16) . . . . ?
Mo1 C24 W1 C22 179.4(3) . . . . ?
O5 C24 W1 B3 161.4(16) . . . . ?
Mo1 C24 W1 B3 -12.2(2) . . . . ?
O5 C24 W1 Cl1 -100.0(16) . . . . ?
Mo1 C24 W1 Cl1 86.47(12) . . . . ?
O5 C24 W1 Mo2 -149.6(15) . . . . ?
Mo1 C24 W1 Mo2 36.80(15) . . . . ?
O5 C24 W1 Mo1 173.6(17) . . . . ?
B2 B3 W1 C23 135.5(6) . . . . ?
Mo2 B3 W1 C23 -176.4(3) . . . . ?
Mo1 B3 W1 C23 100.2(2) . . . . ?
B2 B3 W1 C21 -142.0(6) . . . . ?
Mo2 B3 W1 C21 -93.9(3) . . . . ?
Mo1 B3 W1 C21 -177.3(3) . . . . ?
B2 B3 W1 C22 165.1(11) . . . . ?
Mo2 B3 W1 C22 -146.8(12) . . . . ?
Mo1 B3 W1 C22 129.8(12) . . . . ?
B2 B3 W1 C24 48.9(6) . . . . ?
Mo2 B3 W1 C24 97.0(2) . . . . ?
Mo1 B3 W1 C24 13.5(3) . . . . ?
B2 B3 W1 Cl1 -42.6(6) . . . . ?
Mo2 B3 W1 Cl1 5.51(19) . . . . ?
Mo1 B3 W1 Cl1 -77.93(15) . . . . ?
B2 B3 W1 Mo2 -48.1(5) . . . . ?
Mo1 B3 W1 Mo2 -83.4(2) . . . . ?
B2 B3 W1 Mo1 35.3(5) . . . . ?
Mo2 B3 W1 Mo1 83.4(2) . . . . ?
Mo2 Cl1 W1 C23 -33(3) . . . . ?
Mo2 Cl1 W1 C21 87.1(2) . . . . ?
Mo2 Cl1 W1 C22 169.0(2) . . . . ?
Mo2 Cl1 W1 C24 -111.77(19) . . . . ?
Mo2 Cl1 W1 B3 -5.10(18) . . . . ?
Mo2 Cl1 W1 Mo1 -53.71(3) . . . . ?
B3 Mo2 W1 C23 4.3(3) . . . . ?
B2 Mo2 W1 C23 30.5(3) . . . . ?
B1 Mo2 W1 C23 74.4(3) . . . . ?
C14 Mo2 W1 C23 -130.1(3) . . . . ?
C13 Mo2 W1 C23 -100.4(5) . . . . ?
C12 Mo2 W1 C23 -48.8(3) . . . . ?
C16 Mo2 W1 C23 -68.9(3) . . . . ?
C15 Mo2 W1 C23 -104.6(3) . . . . ?
Cl1 Mo2 W1 C23 177.4(2) . . . . ?
Mo1 Mo2 W1 C23 66.0(2) . . . . ?
B3 Mo2 W1 C21 87.9(3) . . . . ?
B2 Mo2 W1 C21 114.1(3) . . . . ?
B1 Mo2 W1 C21 158.0(4) . . . . ?
C14 Mo2 W1 C21 -46.6(3) . . . . ?
C13 Mo2 W1 C21 -16.8(5) . . . . ?
C12 Mo2 W1 C21 34.7(3) . . . . ?
C16 Mo2 W1 C21 14.7(3) . . . . ?
C15 Mo2 W1 C21 -21.0(3) . . . . ?
Cl1 Mo2 W1 C21 -99.0(3) . . . . ?
Mo1 Mo2 W1 C21 149.6(2) . . . . ?
B3 Mo2 W1 C22 168.3(5) . . . . ?
B2 Mo2 W1 C22 -165.5(5) . . . . ?
B1 Mo2 W1 C22 -121.6(5) . . . . ?
C14 Mo2 W1 C22 33.9(4) . . . . ?
C13 Mo2 W1 C22 63.7(6) . . . . ?
C12 Mo2 W1 C22 115.2(5) . . . . ?
C16 Mo2 W1 C22 95.1(4) . . . . ?
C15 Mo2 W1 C22 59.4(4) . . . . ?
Cl1 Mo2 W1 C22 -18.6(4) . . . . ?
Mo1 Mo2 W1 C22 -130.0(4) . . . . ?
B3 Mo2 W1 C24 -97.8(3) . . . . ?
B2 Mo2 W1 C24 -71.6(3) . . . . ?
B1 Mo2 W1 C24 -27.6(3) . . . . ?
C14 Mo2 W1 C24 127.8(3) . . . . ?
C13 Mo2 W1 C24 157.6(5) . . . . ?
C12 Mo2 W1 C24 -150.9(3) . . . . ?
C16 Mo2 W1 C24 -171.0(2) . . . . ?
C15 Mo2 W1 C24 153.3(2) . . . . ?
Cl1 Mo2 W1 C24 75.32(19) . . . . ?
Mo1 Mo2 W1 C24 -36.05(18) . . . . ?
B2 Mo2 W1 B3 26.2(3) . . . . ?
B1 Mo2 W1 B3 70.1(3) . . . . ?
C14 Mo2 W1 B3 -134.5(3) . . . . ?
C13 Mo2 W1 B3 -104.7(5) . . . . ?
C12 Mo2 W1 B3 -53.2(3) . . . . ?
C16 Mo2 W1 B3 -73.2(3) . . . . ?
C15 Mo2 W1 B3 -108.9(3) . . . . ?
Cl1 Mo2 W1 B3 173.1(2) . . . . ?
Mo1 Mo2 W1 B3 61.7(2) . . . . ?
B3 Mo2 W1 Cl1 -173.1(2) . . . . ?
B2 Mo2 W1 Cl1 -146.9(2) . . . . ?
B1 Mo2 W1 Cl1 -103.0(3) . . . . ?
C14 Mo2 W1 Cl1 52.47(19) . . . . ?
C13 Mo2 W1 Cl1 82.2(5) . . . . ?
C12 Mo2 W1 Cl1 133.8(2) . . . . ?
C16 Mo2 W1 Cl1 113.70(16) . . . . ?
C15 Mo2 W1 Cl1 78.00(16) . . . . ?
Mo1 Mo2 W1 Cl1 -111.37(5) . . . . ?
B3 Mo2 W1 Mo1 -61.7(2) . . . . ?
B2 Mo2 W1 Mo1 -35.5(2) . . . . ?
B1 Mo2 W1 Mo1 8.4(3) . . . . ?
C14 Mo2 W1 Mo1 163.85(18) . . . . ?
C13 Mo2 W1 Mo1 -166.4(5) . . . . ?
C12 Mo2 W1 Mo1 -114.9(2) . . . . ?
C16 Mo2 W1 Mo1 -134.92(16) . . . . ?
C15 Mo2 W1 Mo1 -170.62(15) . . . . ?
Cl1 Mo2 W1 Mo1 111.37(5) . . . . ?
C25 Mo1 W1 C23 152.5(3) . . . . ?
B2 Mo1 W1 C23 -94.8(3) . . . . ?
B1 Mo1 W1 C23 -139.3(3) . . . . ?
C5 Mo1 W1 C23 60.1(6) . . . . ?
B3 Mo1 W1 C23 -74.2(3) . . . . ?
C6 Mo1 W1 C23 63.4(3) . . . . ?
C4 Mo1 W1 C23 -21.8(4) . . . . ?
C3 Mo1 W1 C23 -3.8(3) . . . . ?
C2 Mo1 W1 C23 31.6(2) . . . . ?
C24 Mo1 W1 C23 90.5(3) . . . . ?
Mo2 Mo1 W1 C23 -131.27(19) . . . . ?
C25 Mo1 W1 C21 -129.1(4) . . . . ?
B2 Mo1 W1 C21 -16.4(4) . . . . ?
B1 Mo1 W1 C21 -60.9(4) . . . . ?
C5 Mo1 W1 C21 138.6(7) . . . . ?
B3 Mo1 W1 C21 4.2(4) . . . . ?
C6 Mo1 W1 C21 141.8(4) . . . . ?
C4 Mo1 W1 C21 56.7(5) . . . . ?
C3 Mo1 W1 C21 74.7(4) . . . . ?
C2 Mo1 W1 C21 110.0(4) . . . . ?
C24 Mo1 W1 C21 168.9(4) . . . . ?
Mo2 Mo1 W1 C21 -52.8(4) . . . . ?
C25 Mo1 W1 C22 61.2(4) . . . . ?
B2 Mo1 W1 C22 173.9(4) . . . . ?
B1 Mo1 W1 C22 129.4(4) . . . . ?
C5 Mo1 W1 C22 -31.1(7) . . . . ?
B3 Mo1 W1 C22 -165.5(4) . . . . ?
C6 Mo1 W1 C22 -27.9(4) . . . . ?
C4 Mo1 W1 C22 -113.0(5) . . . . ?
C3 Mo1 W1 C22 -95.0(4) . . . . ?
C2 Mo1 W1 C22 -59.7(4) . . . . ?
C24 Mo1 W1 C22 -0.8(4) . . . . ?
Mo2 Mo1 W1 C22 137.5(3) . . . . ?
C25 Mo1 W1 C24 62.0(3) . . . . ?
B2 Mo1 W1 C24 174.8(3) . . . . ?
B1 Mo1 W1 C24 130.2(3) . . . . ?
C5 Mo1 W1 C24 -30.3(6) . . . . ?
B3 Mo1 W1 C24 -164.7(3) . . . . ?
C6 Mo1 W1 C24 -27.1(3) . . . . ?
C4 Mo1 W1 C24 -112.2(4) . . . . ?
C3 Mo1 W1 C24 -94.2(3) . . . . ?
C2 Mo1 W1 C24 -58.9(3) . . . . ?
Mo2 Mo1 W1 C24 138.3(2) . . . . ?
C25 Mo1 W1 B3 -133.3(3) . . . . ?
B2 Mo1 W1 B3 -20.5(3) . . . . ?
B1 Mo1 W1 B3 -65.1(3) . . . . ?
C5 Mo1 W1 B3 134.4(6) . . . . ?
C6 Mo1 W1 B3 137.6(3) . . . . ?
C4 Mo1 W1 B3 52.5(4) . . . . ?
C3 Mo1 W1 B3 70.5(3) . . . . ?
C2 Mo1 W1 B3 105.8(3) . . . . ?
C24 Mo1 W1 B3 164.7(3) . . . . ?
Mo2 Mo1 W1 B3 -57.0(2) . . . . ?
C25 Mo1 W1 Cl1 -28.95(18) . . . . ?
B2 Mo1 W1 Cl1 83.8(2) . . . . ?
B1 Mo1 W1 Cl1 39.3(2) . . . . ?
C5 Mo1 W1 Cl1 -121.3(6) . . . . ?
B3 Mo1 W1 Cl1 104.4(2) . . . . ?
C6 Mo1 W1 Cl1 -118.0(2) . . . . ?
C4 Mo1 W1 Cl1 156.8(3) . . . . ?
C3 Mo1 W1 Cl1 174.83(17) . . . . ?
C2 Mo1 W1 Cl1 -149.85(16) . . . . ?
C24 Mo1 W1 Cl1 -91.0(2) . . . . ?
Mo2 Mo1 W1 Cl1 47.32(4) . . . . ?
C25 Mo1 W1 Mo2 -76.27(18) . . . . ?
B2 Mo1 W1 Mo2 36.5(2) . . . . ?
B1 Mo1 W1 Mo2 -8.0(2) . . . . ?
C5 Mo1 W1 Mo2 -168.6(6) . . . . ?
B3 Mo1 W1 Mo2 57.0(2) . . . . ?
C6 Mo1 W1 Mo2 -165.3(2) . . . . ?
C4 Mo1 W1 Mo2 109.5(3) . . . . ?
C3 Mo1 W1 Mo2 127.52(17) . . . . ?
C2 Mo1 W1 Mo2 162.83(15) . . . . ?
C24 Mo1 W1 Mo2 -138.3(2) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.124
_refine_diff_density_min         -1.026
_refine_diff_density_rms         0.128
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelxl
_audit_block_doi                 10.5517/cc13sz0w
_database_code_depnum_ccdc_archive 'CCDC 1036888'
_audit_update_record             
;
2014-12-01 deposited with the CCDC.
2015-01-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2012
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H31 B Mo2 O10 Ru2'
_chemical_formula_weight         956.38

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'
B B 0.0013 0.0007 '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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_space_group_name_Hall           '-P 2ab 2ac'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'

_cell_length_a                   17.2668(7)
_cell_length_b                   30.7845(13)
_cell_length_c                   12.5659(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6679.4(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4876
_cell_measurement_theta_min      2.4
_cell_measurement_theta_max      22.9

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.902
_exptl_crystal_F_000             3744
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    1.674
_shelx_estimated_absorpt_T_min   0.731
_shelx_estimated_absorpt_T_max   0.864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6514
_exptl_absorpt_correction_T_max  0.7449
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20048
_diffrn_reflns_av_unetI/netI     0.0388
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.323
_diffrn_reflns_theta_max         23.184
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.782
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.782
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.782
_reflns_number_total             4726
_reflns_number_gt                3698
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEXII (Bruker, 2008)'
_computing_cell_refinement       'APEXII/SAINT (Bruker, 2008)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997) '
_computing_publication_material  'SHELXL-97 (Sheldrick, 2013)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0391P)²+14.6681P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4726
_refine_ls_number_parameters     420
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0358
_refine_ls_wR_factor_ref         0.0878
_refine_ls_wR_factor_gt          0.0796
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.9757(4) 0.3777(2) 0.2472(6) 0.0303(17) Uani 1 1 d . . . . .
C1 C 1.1562(4) 0.3420(2) 0.0132(6) 0.0457(19) Uani 1 1 d . . . . .
C2 C 1.1070(4) 0.3716(3) -0.0439(6) 0.056(2) Uani 1 1 d . . . . .
C3 C 1.1231(4) 0.4134(3) -0.0050(6) 0.053(2) Uani 1 1 d . . . . .
C4 C 1.1798(4) 0.4103(2) 0.0736(6) 0.0458(18) Uani 1 1 d . . . . .
C5 C 1.1999(3) 0.3660(2) 0.0856(5) 0.0373(16) Uani 1 1 d . . . . .
C6 C 1.1684(5) 0.2945(2) -0.0134(8) 0.091(3) Uani 1 1 d . . . . .
H6A H 1.2080 0.2919 -0.0667 0.137 Uiso 1 1 calc R U . . .
H6B H 1.1210 0.2824 -0.0399 0.137 Uiso 1 1 calc R U . . .
H6C H 1.1840 0.2791 0.0495 0.137 Uiso 1 1 calc R U . . .
C7 C 1.0591(5) 0.3597(4) -0.1402(7) 0.128(5) Uani 1 1 d . . . . .
H7A H 1.0121 0.3763 -0.1403 0.192 Uiso 1 1 calc R U . . .
H7B H 1.0468 0.3293 -0.1378 0.192 Uiso 1 1 calc R U . . .
H7C H 1.0880 0.3658 -0.2037 0.192 Uiso 1 1 calc R U . . .
C8 C 1.0930(5) 0.4548(3) -0.0527(8) 0.120(5) Uani 1 1 d . . . . .
H8A H 1.0808 0.4750 0.0031 0.181 Uiso 1 1 calc R U . . .
H8B H 1.0472 0.4488 -0.0933 0.181 Uiso 1 1 calc R U . . .
H8C H 1.1317 0.4671 -0.0984 0.181 Uiso 1 1 calc R U . . .
C9 C 1.2242(5) 0.4484(3) 0.1168(7) 0.088(3) Uani 1 1 d . . . . .
H9A H 1.2623 0.4575 0.0656 0.132 Uiso 1 1 calc R U . . .
H9B H 1.2496 0.4402 0.1817 0.132 Uiso 1 1 calc R U . . .
H9C H 1.1892 0.4720 0.1306 0.132 Uiso 1 1 calc R U . . .
C10 C 1.2683(4) 0.3498(3) 0.1478(7) 0.081(3) Uani 1 1 d . . . . .
H10A H 1.2677 0.3186 0.1495 0.121 Uiso 1 1 calc R U . . .
H10B H 1.2658 0.3609 0.2192 0.121 Uiso 1 1 calc R U . . .
H10C H 1.3152 0.3596 0.1145 0.121 Uiso 1 1 calc R U . . .
C11 C 0.9992(4) 0.3233(2) 0.0803(6) 0.0478(18) Uani 1 1 d . . . . .
C12 C 0.9762(4) 0.4082(2) 0.0983(5) 0.0392(16) Uani 1 1 d . . . . .
C13 C 0.8538(4) 0.3642(2) 0.2356(6) 0.0463(18) Uani 1 1 d . . . . .
C14 C 0.8799(4) 0.4424(2) 0.3164(6) 0.0443(18) Uani 1 1 d . . . . .
C15 C 1.1673(4) 0.4184(2) 0.3463(6) 0.054(2) Uani 1 1 d . . . . .
C16 C 1.0456(4) 0.4686(2) 0.2689(6) 0.0453(18) Uani 1 1 d . . . . .
C17 C 1.0404(4) 0.4372(2) 0.4813(6) 0.054(2) Uani 1 1 d . . . . .
C18 C 0.9567(4) 0.2814(2) 0.2962(6) 0.0510(19) Uani 1 1 d . . . . .
C19 C 1.0357(4) 0.3065(2) 0.4796(7) 0.0486(19) Uani 1 1 d . . . . .
C20 C 1.1182(5) 0.2942(2) 0.2866(6) 0.060(2) Uani 1 1 d . . . . .
C21 C 0.7718(3) 0.3963(2) 0.4412(5) 0.0373(16) Uani 1 1 d . . . . .
C22 C 0.7791(3) 0.3507(2) 0.4361(5) 0.0394(16) Uani 1 1 d . . . . .
C23 C 0.8370(3) 0.3379(2) 0.5093(5) 0.0378(16) Uani 1 1 d . . . . .
C24 C 0.8664(3) 0.3755(2) 0.5588(5) 0.0367(16) Uani 1 1 d . . . . .
C25 C 0.8262(4) 0.4119(2) 0.5184(5) 0.0390(16) Uani 1 1 d . . . . .
C26 C 0.7092(4) 0.4227(2) 0.3870(6) 0.058(2) Uani 1 1 d . . . . .
H26A H 0.7015 0.4120 0.3160 0.087 Uiso 1 1 calc R U . . .
H26B H 0.7247 0.4526 0.3842 0.087 Uiso 1 1 calc R U . . .
H26C H 0.6618 0.4201 0.4263 0.087 Uiso 1 1 calc R U . . .
C27 C 0.7265(4) 0.3199(2) 0.3776(6) 0.061(2) Uani 1 1 d . . . . .
H27A H 0.7524 0.2926 0.3679 0.091 Uiso 1 1 calc R U . . .
H27B H 0.7136 0.3320 0.3094 0.091 Uiso 1 1 calc R U . . .
H27C H 0.6801 0.3156 0.4181 0.091 Uiso 1 1 calc R U . . .
C28 C 0.8500(4) 0.2917(2) 0.5432(6) 0.054(2) Uani 1 1 d . . . . .
H28A H 0.8985 0.2896 0.5803 0.081 Uiso 1 1 calc R U . . .
H28B H 0.8512 0.2733 0.4816 0.081 Uiso 1 1 calc R U . . .
H28C H 0.8088 0.2827 0.5894 0.081 Uiso 1 1 calc R U . . .
C29 C 0.9221(4) 0.3760(2) 0.6518(5) 0.052(2) Uani 1 1 d . . . . .
H29A H 0.9315 0.4054 0.6733 0.079 Uiso 1 1 calc R U . . .
H29B H 0.9701 0.3627 0.6310 0.079 Uiso 1 1 calc R U . . .
H29C H 0.9001 0.3601 0.7102 0.079 Uiso 1 1 calc R U . . .
C30 C 0.8292(4) 0.4575(2) 0.5616(6) 0.059(2) Uani 1 1 d . . . . .
H30A H 0.7904 0.4609 0.6157 0.089 Uiso 1 1 calc R U . . .
H30B H 0.8196 0.4777 0.5051 0.089 Uiso 1 1 calc R U . . .
H30C H 0.8794 0.4629 0.5916 0.089 Uiso 1 1 calc R U . . .
Mo1 Mo 1.06389(3) 0.37247(2) 0.12928(4) 0.02892(16) Uani 1 1 d . . . . .
Mo2 Mo 0.89356(3) 0.38287(2) 0.37127(4) 0.02878(16) Uani 1 1 d . . . . .
O1 O 0.9621(3) 0.29687(17) 0.0434(5) 0.0769(18) Uani 1 1 d . . . . .
O2 O 0.9270(3) 0.43158(17) 0.0675(4) 0.0640(15) Uani 1 1 d . . . . .
O3 O 0.8234(3) 0.3537(2) 0.1580(4) 0.0723(17) Uani 1 1 d . . . . .
O4 O 0.8653(3) 0.47674(16) 0.2864(5) 0.0724(17) Uani 1 1 d . . . . .
O5 O 1.2327(3) 0.4202(2) 0.3570(5) 0.103(2) Uani 1 1 d . . . . .
O6 O 1.0425(3) 0.50062(16) 0.2255(5) 0.0674(16) Uani 1 1 d . . . . .
O7 O 1.0348(4) 0.4539(2) 0.5625(5) 0.0867(19) Uani 1 1 d . . . . .
O8 O 0.9132(4) 0.25486(19) 0.2770(5) 0.092(2) Uani 1 1 d . . . . .
O9 O 1.0461(3) 0.29683(19) 0.5669(4) 0.0712(16) Uani 1 1 d . . . . .
O10 O 1.1677(3) 0.27178(19) 0.2603(6) 0.099(2) Uani 1 1 d . . . . .
Ru1 Ru 1.05860(3) 0.41491(2) 0.34214(4) 0.03147(16) Uani 1 1 d . . . . .
Ru2 Ru 1.02915(3) 0.32455(2) 0.33490(4) 0.03246(16) Uani 1 1 d . . . . .
H1 H 1.085(3) 0.3610(18) 0.386(5) 0.054(19) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
B1 Mo2 2.114(7) . ?
B1 Mo1 2.131(7) . ?
B1 Ru2 2.177(7) . ?
B1 Ru1 2.189(7) . ?
C1 C5 1.393(9) . ?
C1 C2 1.439(10) . ?
C1 C6 1.513(9) . ?
C1 Mo1 2.356(6) . ?
C2 C3 1.404(10) . ?
C2 C7 1.512(11) . ?
C2 Mo1 2.300(7) . ?
C3 C4 1.394(10) . ?
C3 C8 1.501(10) . ?
C3 Mo1 2.341(6) . ?
C4 C5 1.415(8) . ?
C4 C9 1.505(9) . ?
C4 Mo1 2.418(6) . ?
C5 C10 1.502(9) . ?
C5 Mo1 2.420(6) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 O1 1.135(8) . ?
C11 Mo1 1.979(8) . ?
C12 O2 1.178(7) . ?
C12 Mo1 1.912(7) . ?
C13 O3 1.155(8) . ?
C13 Mo2 1.926(8) . ?
C14 O4 1.150(7) . ?
C14 Mo2 1.972(7) . ?
C15 O5 1.140(8) . ?
C15 Ru1 1.880(7) . ?
C16 O6 1.127(7) . ?
C16 Ru1 1.905(7) . ?
C17 O7 1.147(8) . ?
C17 Ru1 1.905(8) . ?
C18 O8 1.136(8) . ?
C18 Ru2 1.888(7) . ?
C19 O9 1.150(8) . ?
C19 Ru2 1.905(9) . ?
C20 O10 1.147(8) . ?
C20 Ru2 1.899(8) . ?
C21 C22 1.409(8) . ?
C21 C25 1.434(9) . ?
C21 C26 1.514(9) . ?
C21 Mo2 2.316(6) . ?
C22 C23 1.415(9) . ?
C22 C27 1.505(9) . ?
C22 Mo2 2.355(6) . ?
C23 C24 1.410(8) . ?
C23 C28 1.501(8) . ?
C23 Mo2 2.426(6) . ?
C24 C25 1.412(8) . ?
C24 C29 1.514(9) . ?
C24 Mo2 2.413(6) . ?
C25 C30 1.505(8) . ?
C25 Mo2 2.360(6) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
Mo1 Ru1 2.9783(8) . ?
Mo1 Ru2 3.0351(8) . ?
Mo2 Ru2 2.9856(7) . ?
Mo2 Ru1 3.0377(7) . ?
Ru1 Ru2 2.8292(7) . ?
Ru1 H1 1.81(6) . ?
Ru2 H1 1.62(6) . ?

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
Mo2 B1 Mo1 176.5(4) . . ?
Mo2 B1 Ru2 88.2(3) . . ?
Mo1 B1 Ru2 89.6(3) . . ?
Mo2 B1 Ru1 89.8(3) . . ?
Mo1 B1 Ru1 87.2(2) . . ?
Ru2 B1 Ru1 80.8(2) . . ?
C5 C1 C2 108.0(6) . . ?
C5 C1 C6 125.5(7) . . ?
C2 C1 C6 125.8(7) . . ?
C5 C1 Mo1 75.6(4) . . ?
C2 C1 Mo1 69.9(4) . . ?
C6 C1 Mo1 128.0(5) . . ?
C3 C2 C1 106.9(6) . . ?
C3 C2 C7 127.6(9) . . ?
C1 C2 C7 124.6(9) . . ?
C3 C2 Mo1 74.0(4) . . ?
C1 C2 Mo1 74.1(4) . . ?
C7 C2 Mo1 125.6(5) . . ?
C4 C3 C2 108.7(6) . . ?
C4 C3 C8 125.9(9) . . ?
C2 C3 C8 124.8(9) . . ?
C4 C3 Mo1 76.0(4) . . ?
C2 C3 Mo1 70.8(4) . . ?
C8 C3 Mo1 126.4(5) . . ?
C3 C4 C5 108.4(6) . . ?
C3 C4 C9 124.0(7) . . ?
C5 C4 C9 126.1(7) . . ?
C3 C4 Mo1 70.0(4) . . ?
C5 C4 Mo1 73.1(3) . . ?
C9 C4 Mo1 133.9(5) . . ?
C1 C5 C4 108.0(6) . . ?
C1 C5 C10 126.1(6) . . ?
C4 C5 C10 124.6(7) . . ?
C1 C5 Mo1 70.6(3) . . ?
C4 C5 Mo1 72.9(3) . . ?
C10 C5 Mo1 132.3(5) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O1 C11 Mo1 173.8(7) . . ?
O2 C12 Mo1 171.5(6) . . ?
O3 C13 Mo2 173.8(6) . . ?
O4 C14 Mo2 174.1(6) . . ?
O5 C15 Ru1 174.7(7) . . ?
O6 C16 Ru1 176.0(6) . . ?
O7 C17 Ru1 172.9(6) . . ?
O8 C18 Ru2 177.3(7) . . ?
O9 C19 Ru2 174.1(6) . . ?
O10 C20 Ru2 172.4(7) . . ?
C22 C21 C25 107.8(5) . . ?
C22 C21 C26 125.3(6) . . ?
C25 C21 C26 126.3(6) . . ?
C22 C21 Mo2 74.0(3) . . ?
C25 C21 Mo2 73.8(3) . . ?
C26 C21 Mo2 124.9(4) . . ?
C21 C22 C23 108.2(6) . . ?
C21 C22 C27 126.5(6) . . ?
C23 C22 C27 124.6(6) . . ?
C21 C22 Mo2 70.9(3) . . ?
C23 C22 Mo2 75.5(3) . . ?
C27 C22 Mo2 127.0(5) . . ?
C24 C23 C22 108.1(5) . . ?
C24 C23 C28 126.8(6) . . ?
C22 C23 C28 123.8(6) . . ?
C24 C23 Mo2 72.6(3) . . ?
C22 C23 Mo2 70.1(4) . . ?
C28 C23 Mo2 133.1(4) . . ?
C23 C24 C25 108.5(6) . . ?
C23 C24 C29 125.3(6) . . ?
C25 C24 C29 125.6(6) . . ?
C23 C24 Mo2 73.5(4) . . ?
C25 C24 Mo2 70.7(3) . . ?
C29 C24 Mo2 129.0(4) . . ?
C24 C25 C21 107.4(5) . . ?
C24 C25 C30 126.4(6) . . ?
C21 C25 C30 125.4(6) . . ?
C24 C25 Mo2 74.9(3) . . ?
C21 C25 Mo2 70.5(3) . . ?
C30 C25 Mo2 128.3(5) . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C12 Mo1 C11 86.0(3) . . ?
C12 Mo1 B1 62.1(3) . . ?
C11 Mo1 B1 82.5(3) . . ?
C12 Mo1 C2 94.0(3) . . ?
C11 Mo1 C2 83.1(3) . . ?
B1 Mo1 C2 152.9(3) . . ?
C12 Mo1 C3 83.6(3) . . ?
C11 Mo1 C3 115.7(3) . . ?
B1 Mo1 C3 140.6(2) . . ?
C2 Mo1 C3 35.2(2) . . ?
C12 Mo1 C1 129.7(3) . . ?
C11 Mo1 C1 83.4(3) . . ?
B1 Mo1 C1 160.7(2) . . ?
C2 Mo1 C1 36.0(2) . . ?
C3 Mo1 C1 58.2(3) . . ?
C12 Mo1 C4 108.6(3) . . ?
C11 Mo1 C4 138.2(3) . . ?
B1 Mo1 C4 139.2(2) . . ?
C2 Mo1 C4 57.6(2) . . ?
C3 Mo1 C4 34.0(2) . . ?
C1 Mo1 C4 56.8(2) . . ?
C12 Mo1 C5 140.4(2) . . ?
C11 Mo1 C5 114.5(2) . . ?
B1 Mo1 C5 149.1(3) . . ?
C2 Mo1 C5 58.0(2) . . ?
C3 Mo1 C5 57.1(2) . . ?
C1 Mo1 C5 33.9(2) . . ?
C4 Mo1 C5 34.0(2) . . ?
C12 Mo1 Ru1 84.61(19) . . ?
C11 Mo1 Ru1 126.7(2) . . ?
B1 Mo1 Ru1 47.22(18) . . ?
C2 Mo1 Ru1 149.8(2) . . ?
C3 Mo1 Ru1 115.1(2) . . ?
C1 Mo1 Ru1 138.72(18) . . ?
C4 Mo1 Ru1 94.25(17) . . ?
C5 Mo1 Ru1 105.65(16) . . ?
C12 Mo1 Ru2 107.25(19) . . ?
C11 Mo1 Ru2 77.4(2) . . ?
B1 Mo1 Ru2 45.84(18) . . ?
C2 Mo1 Ru2 149.8(2) . . ?
C3 Mo1 Ru2 164.0(2) . . ?
C1 Mo1 Ru2 117.84(18) . . ?
C4 Mo1 Ru2 130.07(19) . . ?
C5 Mo1 Ru2 110.17(15) . . ?
Ru1 Mo1 Ru2 56.123(17) . . ?
C13 Mo2 C14 85.7(3) . . ?
C13 Mo2 B1 64.1(3) . . ?
C14 Mo2 B1 83.9(3) . . ?
C13 Mo2 C21 93.7(3) . . ?
C14 Mo2 C21 81.8(2) . . ?
B1 Mo2 C21 154.5(3) . . ?
C13 Mo2 C22 83.2(3) . . ?
C14 Mo2 C22 114.2(2) . . ?
B1 Mo2 C22 141.8(2) . . ?
C21 Mo2 C22 35.1(2) . . ?
C13 Mo2 C25 129.1(3) . . ?
C14 Mo2 C25 82.1(2) . . ?
B1 Mo2 C25 159.6(2) . . ?
C21 Mo2 C25 35.7(2) . . ?
C22 Mo2 C25 58.3(2) . . ?
C13 Mo2 C24 140.1(3) . . ?
C14 Mo2 C24 113.9(2) . . ?
B1 Mo2 C24 147.5(2) . . ?
C21 Mo2 C24 58.0(2) . . ?
C22 Mo2 C24 57.3(2) . . ?
C25 Mo2 C24 34.4(2) . . ?
C13 Mo2 C23 108.6(3) . . ?
C14 Mo2 C23 137.1(2) . . ?
B1 Mo2 C23 139.0(2) . . ?
C21 Mo2 C23 57.6(2) . . ?
C22 Mo2 C23 34.4(2) . . ?
C25 Mo2 C23 57.2(2) . . ?
C24 Mo2 C23 33.9(2) . . ?
C13 Mo2 Ru2 88.0(2) . . ?
C14 Mo2 Ru2 126.82(18) . . ?
B1 Mo2 Ru2 46.79(18) . . ?
C21 Mo2 Ru2 151.31(15) . . ?
C22 Mo2 Ru2 117.28(15) . . ?
C25 Mo2 Ru2 137.23(16) . . ?
C24 Mo2 Ru2 104.20(15) . . ?
C23 Mo2 Ru2 94.69(14) . . ?
C13 Mo2 Ru1 108.9(2) . . ?
C14 Mo2 Ru1 76.62(18) . . ?
B1 Mo2 Ru1 46.10(18) . . ?
C21 Mo2 Ru1 147.09(16) . . ?
C22 Mo2 Ru1 164.83(16) . . ?
C25 Mo2 Ru1 115.70(16) . . ?
C24 Mo2 Ru1 109.29(15) . . ?
C23 Mo2 Ru1 130.51(15) . . ?
Ru2 Mo2 Ru1 56.023(16) . . ?
C15 Ru1 C17 96.8(3) . . ?
C15 Ru1 C16 94.7(3) . . ?
C17 Ru1 C16 96.4(3) . . ?
C15 Ru1 B1 134.3(3) . . ?
C17 Ru1 B1 125.6(3) . . ?
C16 Ru1 B1 96.6(3) . . ?
C15 Ru1 Ru2 103.7(2) . . ?
C17 Ru1 Ru2 110.7(2) . . ?
C16 Ru1 Ru2 144.7(2) . . ?
B1 Ru1 Ru2 49.43(17) . . ?
C15 Ru1 Mo1 91.1(2) . . ?
C17 Ru1 Mo1 171.0(2) . . ?
C16 Ru1 Mo1 87.2(2) . . ?
B1 Ru1 Mo1 45.61(18) . . ?
Ru2 Ru1 Mo1 62.953(18) . . ?
C15 Ru1 Mo2 162.1(2) . . ?
C17 Ru1 Mo2 81.5(2) . . ?
C16 Ru1 Mo2 103.3(2) . . ?
B1 Ru1 Mo2 44.09(18) . . ?
Ru2 Ru1 Mo2 61.058(16) . . ?
Mo1 Ru1 Mo2 89.690(19) . . ?
C15 Ru1 H1 77.9(19) . . ?
C17 Ru1 H1 95.3(19) . . ?
C16 Ru1 H1 166.9(19) . . ?
B1 Ru1 H1 81.5(19) . . ?
Ru2 Ru1 H1 32.1(19) . . ?
Mo1 Ru1 H1 82.2(19) . . ?
Mo2 Ru1 H1 84.4(18) . . ?
C18 Ru2 C20 96.3(3) . . ?
C18 Ru2 C19 94.6(3) . . ?
C20 Ru2 C19 96.6(3) . . ?
C18 Ru2 B1 96.7(3) . . ?
C20 Ru2 B1 123.4(3) . . ?
C19 Ru2 B1 136.7(3) . . ?
C18 Ru2 Ru1 144.9(2) . . ?
C20 Ru2 Ru1 110.4(2) . . ?
C19 Ru2 Ru1 104.2(2) . . ?
B1 Ru2 Ru1 49.78(17) . . ?
C18 Ru2 Mo2 86.7(2) . . ?
C20 Ru2 Mo2 168.4(2) . . ?
C19 Ru2 Mo2 94.3(2) . . ?
B1 Ru2 Mo2 45.04(19) . . ?
Ru1 Ru2 Mo2 62.919(17) . . ?
C18 Ru2 Mo1 104.7(2) . . ?
C20 Ru2 Mo1 78.8(2) . . ?
C19 Ru2 Mo1 160.5(2) . . ?
B1 Ru2 Mo1 44.59(19) . . ?
Ru1 Ru2 Mo1 60.924(17) . . ?
Mo2 Ru2 Mo1 89.602(19) . . ?
C18 Ru2 H1 171(2) . . ?
C20 Ru2 H1 89(2) . . ?
C19 Ru2 H1 78(2) . . ?
B1 Ru2 H1 86(2) . . ?
Ru1 Ru2 H1 36(2) . . ?
Mo2 Ru2 H1 89(2) . . ?
Mo1 Ru2 H1 83(2) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C1 C2 C3 0.7(7) . . . . ?
C6 C1 C2 C3 -169.8(6) . . . . ?
Mo1 C1 C2 C3 67.3(5) . . . . ?
C5 C1 C2 C7 170.8(7) . . . . ?
C6 C1 C2 C7 0.3(11) . . . . ?
Mo1 C1 C2 C7 -122.7(7) . . . . ?
C5 C1 C2 Mo1 -66.6(5) . . . . ?
C6 C1 C2 Mo1 123.0(7) . . . . ?
C1 C2 C3 C4 -0.2(8) . . . . ?
C7 C2 C3 C4 -169.9(7) . . . . ?
Mo1 C2 C3 C4 67.1(5) . . . . ?
C1 C2 C3 C8 171.1(6) . . . . ?
C7 C2 C3 C8 1.4(12) . . . . ?
Mo1 C2 C3 C8 -121.6(7) . . . . ?
C1 C2 C3 Mo1 -67.4(5) . . . . ?
C7 C2 C3 Mo1 123.0(7) . . . . ?
C2 C3 C4 C5 -0.3(8) . . . . ?
C8 C3 C4 C5 -171.5(7) . . . . ?
Mo1 C3 C4 C5 63.4(5) . . . . ?
C2 C3 C4 C9 166.1(6) . . . . ?
C8 C3 C4 C9 -5.1(11) . . . . ?
Mo1 C3 C4 C9 -130.1(7) . . . . ?
C2 C3 C4 Mo1 -63.7(5) . . . . ?
C8 C3 C4 Mo1 125.1(7) . . . . ?
C2 C1 C5 C4 -0.9(7) . . . . ?
C6 C1 C5 C4 169.6(6) . . . . ?
Mo1 C1 C5 C4 -63.8(5) . . . . ?
C2 C1 C5 C10 -168.4(7) . . . . ?
C6 C1 C5 C10 2.1(11) . . . . ?
Mo1 C1 C5 C10 128.8(7) . . . . ?
C2 C1 C5 Mo1 62.8(4) . . . . ?
C6 C1 C5 Mo1 -126.7(7) . . . . ?
C3 C4 C5 C1 0.8(8) . . . . ?
C9 C4 C5 C1 -165.3(7) . . . . ?
Mo1 C4 C5 C1 62.2(4) . . . . ?
C3 C4 C5 C10 168.5(7) . . . . ?
C9 C4 C5 C10 2.4(11) . . . . ?
Mo1 C4 C5 C10 -130.1(7) . . . . ?
C3 C4 C5 Mo1 -61.4(5) . . . . ?
C9 C4 C5 Mo1 132.5(7) . . . . ?
C25 C21 C22 C23 0.3(7) . . . . ?
C26 C21 C22 C23 -171.3(6) . . . . ?
Mo2 C21 C22 C23 66.9(4) . . . . ?
C25 C21 C22 C27 170.9(6) . . . . ?
C26 C21 C22 C27 -0.7(11) . . . . ?
Mo2 C21 C22 C27 -122.4(7) . . . . ?
C25 C21 C22 Mo2 -66.6(4) . . . . ?
C26 C21 C22 Mo2 121.8(6) . . . . ?
C21 C22 C23 C24 -0.9(7) . . . . ?
C27 C22 C23 C24 -171.7(6) . . . . ?
Mo2 C22 C23 C24 63.0(4) . . . . ?
C21 C22 C23 C28 166.9(6) . . . . ?
C27 C22 C23 C28 -4.0(10) . . . . ?
Mo2 C22 C23 C28 -129.2(6) . . . . ?
C21 C22 C23 Mo2 -63.9(4) . . . . ?
C27 C22 C23 Mo2 125.3(7) . . . . ?
C22 C23 C24 C25 1.1(7) . . . . ?
C28 C23 C24 C25 -166.2(6) . . . . ?
Mo2 C23 C24 C25 62.5(4) . . . . ?
C22 C23 C24 C29 172.1(6) . . . . ?
C28 C23 C24 C29 4.8(10) . . . . ?
Mo2 C23 C24 C29 -126.5(6) . . . . ?
C22 C23 C24 Mo2 -61.4(4) . . . . ?
C28 C23 C24 Mo2 131.3(6) . . . . ?
C23 C24 C25 C21 -0.9(7) . . . . ?
C29 C24 C25 C21 -171.8(6) . . . . ?
Mo2 C24 C25 C21 63.4(4) . . . . ?
C23 C24 C25 C30 169.0(6) . . . . ?
C29 C24 C25 C30 -1.9(11) . . . . ?
Mo2 C24 C25 C30 -126.7(7) . . . . ?
C23 C24 C25 Mo2 -64.3(4) . . . . ?
C29 C24 C25 Mo2 124.8(6) . . . . ?
C22 C21 C25 C24 0.4(7) . . . . ?
C26 C21 C25 C24 171.9(6) . . . . ?
Mo2 C21 C25 C24 -66.3(4) . . . . ?
C22 C21 C25 C30 -169.6(6) . . . . ?
C26 C21 C25 C30 1.8(10) . . . . ?
Mo2 C21 C25 C30 123.6(6) . . . . ?
C22 C21 C25 Mo2 66.7(4) . . . . ?
C26 C21 C25 Mo2 -121.8(6) . . . . ?

_refine_diff_density_max         1.978
_refine_diff_density_min         -0.474
_refine_diff_density_rms         0.104

_shelxl_version_number           2012-9

