Reactivity of Dirhodium Analogues of Octaborane-12 and Decaborane-14 towards Transition-Metal Moieties
Roy, Dipak Kumar; Anju, R. S.; Varghese, Babu; Ghosh, Sundargopal; Organometallics 32 (2013) 1964–; doi:10.1021/om400055s

data_4080524
_publ_section_title
;
 Reactivity of Dirhodium Analogues of Octaborane-12 and Decaborane-14
 towards Transition-Metal Moieties
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1964
_journal_paper_doi               10.1021/om400055s
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C58 H70 Au2 B6 Cl4 P2 Rh2'
_chemical_formula_weight         1635.49
_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                102.622(6)
_cell_angle_beta                 105.979(6)
_cell_angle_gamma                99.782(6)
_cell_formula_units_Z            2
_cell_length_a                   12.802(2)
_cell_length_b                   14.693(2)
_cell_length_c                   17.784(2)
_cell_measurement_reflns_used    9054
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.6
_cell_measurement_theta_min      2.5
_cell_volume                     3042.4(7)
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altornare et al., 1993)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Bruker axs kappa apex2 CCD DIffractometer'
_diffrn_measurement_method       '\w and \f scan'
_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  0.0442
_diffrn_reflns_av_sigmaI/netI    0.0476
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30999
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    5.605
_exptl_absorpt_correction_T_max  0.582
_exptl_absorpt_correction_T_min  0.456
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1999)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       square
_exptl_crystal_F_000             1588
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.253
_refine_diff_density_min         -3.645
_refine_diff_density_rms         0.251
_refine_ls_extinction_coef       0.00060(10)
_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   1.142
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     678
_refine_ls_number_reflns         10152
_refine_ls_number_restraints     396
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0479
_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^)+(0.0537P)^2^+40.3502P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1292
_refine_ls_wR_factor_ref         0.1322
_reflns_number_gt                9199
_reflns_number_total             10152
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400055s_si_004.cif
_cod_data_source_block           iitm
_cod_original_cell_volume        3042.4(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4080524