Preparation and properties of sterically demanding and chiral distibine ligands
Jura, Marek; Levason, William; Reid, Gillian; Webster, Michael; Dalton Transactions  (2008) 5774–5782; doi:10.1039/b808493a

data_7004556
_publ_section_title
;
 Preparation and properties of sterically demanding and chiral
 distibine ligands
;
_journal_issue                   42
_journal_name_full               'Dalton Transactions'
_journal_page_first              5774
_journal_page_last               5782
_journal_paper_doi               10.1039/b808493a
_journal_year                    2008
_chemical_formula_moiety         'C28 H24 Mo O4 Sb2'
_chemical_formula_structural     '(C24 H24 Sb2) (C O)4 Mo'
_chemical_formula_sum            'C28 H24 Mo O4 Sb2'
_chemical_formula_weight         763.91
_chemical_name_common
;Tetracarbonyl(2,2'-bis(dimethylstibino)-1,1'-
binaphthyl)molybdenum(0)
;
_chemical_name_systematic
;
Tetracarbonyl(2,2'-bis(dimethylstibino)-1,1'-binaphthyl)molybdenum(0)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_date             2007-08-19
_audit_creation_method           'SHELXL-97 + hand edit'
_cell_angle_alpha                64.903(8)
_cell_angle_beta                 82.036(9)
_cell_angle_gamma                80.998(8)
_cell_formula_units_Z            4
_cell_length_a                   12.7993(15)
_cell_length_b                   15.073(3)
_cell_length_c                   16.058(2)
_cell_measurement_reflns_used    70247
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     2761.9(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
'Bruker-Nonius 95mm CCD camera on \k-goniostat'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1060
_diffrn_reflns_av_sigmaI/netI    0.1034
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            50073
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.96
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.420
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8843
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'G.M. Sheldrick, (2007). SADABS. Version 2007/2. Bruker AXS Inc.'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.670
_refine_diff_density_min         -1.064
_refine_diff_density_rms         0.248
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.199
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         11362
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.198
_refine_ls_R_factor_all          0.1477
_refine_ls_R_factor_gt           0.0823
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+43.7026P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1291
_refine_ls_wR_factor_ref         0.1530
_reflns_number_gt                7325
_reflns_number_total             11362
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b808493a.txt
_cod_data_source_block           07mj010_[C28H24MoO4Sb2]
_cod_database_code               7004556