Heterometallic cluster complexes (RhMo, RhW) containing bridging 1,2-dicarba-closo-dodecaborane-1,2-dichalocogenolato ligands.
Cai, Shuyi; Lin, YueJian; Jin, Guo-Xin; Dalton transactions (Cambridge, England : 2003)  (2006) 912–918; doi:10.1039/b511096c

data_7006468
_publ_section_title
;
 Heterometallic cluster complexes (RhMo, RhW) containing bridging
 1,2-dicarba-closo-dodecaborane-1,2-dichalocogenolato ligands.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              912
_journal_page_last               918
_journal_paper_doi               10.1039/b511096c
_journal_year                    2006
_chemical_formula_sum            'C16 H35 B20 Mo O2 Rh S4'
_chemical_formula_weight         802.73
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.758(3)
_cell_angle_beta                 101.716(4)
_cell_angle_gamma                91.477(4)
_cell_formula_units_Z            4
_cell_length_a                   14.009(3)
_cell_length_b                   14.741(3)
_cell_length_c                   17.820(4)
_cell_measurement_reflns_used    727
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15.651
_cell_measurement_theta_min      2.385
_cell_volume                     3581.1(13)
_computing_cell_refinement       'Bruker Smart'
_computing_data_collection       'Bruker Smart'
_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_sigmaI/netI    0.2784
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16653
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.39
_diffrn_standards_decay_%        4.19
_exptl_absorpt_coefficient_mu    1.063
_exptl_absorpt_correction_T_max  0.9487
_exptl_absorpt_correction_T_min  0.9011
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1592
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.845
_refine_diff_density_min         -0.768
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.728
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     843
_refine_ls_number_reflns         13832
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.729
_refine_ls_R_factor_all          0.1896
_refine_ls_R_factor_gt           0.0599
_refine_ls_shift/su_max          0.865
_refine_ls_shift/su_mean         0.032
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0097P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0777
_refine_ls_wR_factor_ref         0.0999
_reflns_number_gt                4568
_reflns_number_total             13832
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b511096c.txt
_cod_data_source_block           f31204a
_cod_original_cell_volume        3581.3(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006468