Chemistry of 11-vertex rhodathiaboranes: reactions with monodentate phosphines.
Calvo, Beatriz; Kess, Martin; Macías, Ramón; Cunchillos, Carmen; Lahoz, Fernando J.; Kennedy, John D.; Oro, Luis A.; Dalton transactions (Cambridge, England : 2003) 40 (2011) 6555–6564; doi:10.1039/c1dt10355e

data_7015932
_publ_section_title
;
 Chemistry of 11-vertex rhodathiaboranes: reactions with monodentate
 phosphines.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6555
_journal_page_last               6564
_journal_paper_doi               10.1039/c1dt10355e
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C9 H37 B9 P3 Rh S'
_chemical_formula_sum            'C9 H37 B9 P3 Rh S'
_chemical_formula_weight         470.56
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.3060(10)
_cell_length_b                   15.5790(10)
_cell_length_c                   17.4840(10)
_cell_measurement_reflns_used    74697
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.449
_cell_measurement_theta_min      2.419
_cell_volume                     4441.5(5)
_computing_cell_refinement       'HKL2000 (Z. Otwinowski & W. Minor, 1997)'
_computing_data_collection       'MxCube (ESRF, 2006)'
_computing_data_reduction        'HKL2000 (Z. Otwinowski & W. Minor, 1997)'
_computing_molecular_graphics    'XP program, SHELXTL v6.10,Bruker2000'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9.6
_diffrn_detector_type            'ADSC Q210r CCD (binned mode)'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      '1 degree, 1 sec, detector distance 63.50 mm'
_diffrn_measurement_device_type  'Single axis HUBER diffractometer'
_diffrn_measurement_method       phi-scans
_diffrn_radiation_monochromator  'Si 111 double crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.73780
_diffrn_reflns_av_R_equivalents  0.0577
_diffrn_reflns_av_sigmaI/netI    0.0180
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            74697
_diffrn_reflns_theta_full        29.45
_diffrn_reflns_theta_max         29.45
_diffrn_reflns_theta_min         3.55
_diffrn_source                   synchrotron
_diffrn_source_type              'ESRF CRG BM16'
_exptl_absorpt_coefficient_mu    1.088
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.105
_exptl_crystal_size_mid          0.056
_exptl_crystal_size_min          0.049
_refine_diff_density_max         0.786
_refine_diff_density_min         -1.528
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       0.0040(2)
_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   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         5464
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0252
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0414P)^2^+4.5417P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0684
_refine_ls_wR_factor_ref         0.0693
_reflns_number_gt                5211
_reflns_number_total             5464
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10355e.txt
_cod_data_source_block           compound_8
_cod_database_code               7015932