Efficient generation of stable adducts of Si(II) dihydride
SM Ibrahim Al-Rafia; Adam C. Malcolm; Robert McDonald; Michael J. Ferguson; Eric Rivard; Chem.Commun. 48 (2012) 1308–; doi:10.1039/c2cc17101e

data_7107254
_publ_section_title
;
 Efficient generation of stable adducts of Si(II) dihydride
;
_journal_name_full               Chem.Commun.
_journal_page_first              1308
_journal_paper_doi               10.1039/c2cc17101e
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety
'C56 H72 Cl4 N4 O2 Rh Si2, C2 Cl2 O2 Rh, 3(C H2 Cl2)'
_chemical_formula_sum            'C61 H78 Cl12 N4 O4 Rh2 Si2'
_chemical_formula_weight         1618.67
_chemical_name_common            4
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 97.4269(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.2122(2)
_cell_length_b                   21.2410(3)
_cell_length_c                   13.2241(2)
_cell_measurement_reflns_used    9846
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      69.61
_cell_measurement_theta_min      3.37
_cell_volume                     3680.08(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0170
_diffrn_reflns_av_sigmaI/netI    0.0148
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            24802
_diffrn_reflns_theta_full        68.00
_diffrn_reflns_theta_max         70.04
_diffrn_reflns_theta_min         3.37
_exptl_absorpt_coefficient_mu    8.308
_exptl_absorpt_correction_T_max  0.3979
_exptl_absorpt_correction_T_min  0.2682
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1652
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.203
_refine_diff_density_min         -0.869
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         6813
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0452
_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^)+(0.0712P)^2^+5.0144P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1291
_refine_ls_wR_factor_ref         0.1316
_reflns_number_gt                6390
_reflns_number_total             6813
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c2cc17101e.txt
_cod_data_source_block           riv11c4
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7107254