Novel Heterobimetallic Coordination of the H2B(mt)2Ligand: The Complex [Mo(SnMe2Cl)(CO)3{μ-S:κ3-H,S,S‘-H2B(mt)2}] (mt = methimazolyl)
Foreman, Mark R. St.-J.; Hill, Anthony F.; Smith, Matthew K.; Tshabang, Never; Organometallics 24 (2005) 5224–; doi:10.1021/om050778z

data_4076197
_publ_section_title
;
 Novel Heterobimetallic Coordination of the H2B(mt)2Ligand:&#x00A0; The
 Complex [Mo(SnMe2Cl)(CO)3{\m-S:\k3-H,S,S&#x2018;-H2B(mt)2}] (mt =
 methimazolyl)
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5224
_journal_paper_doi               10.1021/om050778z
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C5.5 H9 B0.5 Cl N2 S Sn0.5'
_chemical_formula_weight         235.41
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.91(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.690(3)
_cell_length_b                   13.430(3)
_cell_length_c                   9.6120(19)
_cell_measurement_temperature    173(2)
_cell_volume                     1763.1(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0595
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            18133
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    1.986
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             932
_refine_diff_density_max         1.023
_refine_diff_density_min         -0.856
_refine_diff_density_rms         0.158
_refine_ls_extinction_coef       0.0096(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     112
_refine_ls_number_reflns         2121
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0609P)^2^+3.9136P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0968
_refine_ls_wR_factor_ref         0.1028
_reflns_number_gt                1849
_reflns_number_total             2121
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050778zsi20050907_100853.cif
_cod_data_source_block
c:\docume~1\admini~1\desktop\newxta~1\mks28\mks28
_cod_original_cell_volume        1763.1(6)
_cod_original_formula_sum        'C5.50 H9 B0.50 Cl N2 S Sn0.50'
_cod_database_code               4076197