Reactivity of Novel N,N'-Diphosphino-Silanediamine-Based Rhodium(I) Derivatives
Vincenzo Passarelli; Franco Benetollo; Inorganic Chemistry 50 (2011) 9958–9967; doi:10.1021/ic2004408

data_4326447
_publ_section_title
;
 Reactivity of Novel N,N'-Diphosphino-Silanediamine-Based Rhodium(I)
 Derivatives
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9958
_journal_page_last               9967
_journal_paper_doi               10.1021/ic2004408
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         '[RhCl~2~(\h^3^-allyl(SiNP)]~.~2CH~2~Cl~2~'
_chemical_formula_sum            'C45 H49 Cl6 N2 P2 Rh Si'
_chemical_formula_weight         1023.50
_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                87.49(3)
_cell_angle_beta                 87.66(3)
_cell_angle_gamma                88.64(3)
_cell_formula_units_Z            2
_cell_length_a                   9.778(2)
_cell_length_b                   10.863(2)
_cell_length_c                   22.465(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2381.3(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR2004 (Burla et al. 2005)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  ' Philips PW1100 '
_diffrn_measurement_method       \Q/2\Q
_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  0.0215
_diffrn_reflns_av_sigmaI/netI    0.0236
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            8843
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.23
_exptl_absorpt_coefficient_mu    0.821
_exptl_absorpt_correction_T_max  0.8395
_exptl_absorpt_correction_T_min  0.5966
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
'A. T. C. North, et al. Acta Crystallogr., A24 (1968) 351'
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_description       prism
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.814
_refine_diff_density_min         -1.485
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.252
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     545
_refine_ls_number_reflns         8324
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.252
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0638
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0389P)^2^+9.6844P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1465
_refine_ls_wR_factor_ref         0.1574
_reflns_number_gt                7403
_reflns_number_total             8324
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2004408_si_002.cif
_cod_data_source_block           8
_cod_database_code               4326447