Enantioselective Tandem Michael Addition/H2-Hydrogenation Catalyzed by Ruthenium Hydride Borohydride Complexes Containing β-aminophosphine Ligands1
Rongwei Guo; Robert H. Morris; Datong Song; Journal of the American Chemical Society 127 (2005) 516–517; doi:10.1021/ja043782v

data_4111383
_publ_section_title
;
 Enantioselective Tandem Michael Addition/H2-Hydrogenation Catalyzed by
 Ruthenium Hydride Borohydride Complexes Containing \b-aminophosphine
 Ligands1
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              516
_journal_page_last               517
_journal_paper_doi               10.1021/ja043782v
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C54 H61 B N2 P2 Ru'
_chemical_formula_weight         607.91
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 114.29(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.750(3)
_cell_length_b                   10.849(2)
_cell_length_c                   16.712(3)
_cell_measurement_temperature    150(2)
_cell_volume                     2437.6(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0353
_diffrn_reflns_av_sigmaI/netI    0.0450
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24090
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    0.424
_exptl_absorpt_correction_T_max  0.836
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements 
 Sortav (Blessing 1995)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.242
_exptl_crystal_description       block
_exptl_crystal_F_000             956
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.666
_refine_diff_density_min         -0.672
_refine_diff_density_rms         0.060
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.03(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     525
_refine_ls_number_reflns         10419
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0593P)^2^+0.9385P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1019
_refine_ls_wR_factor_ref         0.1093
_reflns_number_gt                8961
_reflns_number_total             10419
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja043782vsi20041128_013938.cif
_cod_data_source_block           RuH(BH4)(Pnor)2_2b
_cod_original_cell_volume        2437.5(8)
_cod_database_code               4111383