[RuCl2(PPh3)(PNN‘)] Complexes as Efficient Catalysts in Transfer Hydrogenation of Ketones
Del Zotto, Alessandro; Baratta, Walter; Ballico, Maurizio; Herdtweck, Eberhardt; Rigo, Pierluigi; Organometallics 26 (2007) 5636–; doi:10.1021/om700647k

data_4073821
_publ_section_title
;
 [RuCl2(PPh3)(PNN&#x2018;)] Complexes as Efficient Catalysts in Transfer
 Hydrogenation of Ketones
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5636
_journal_paper_doi               10.1021/om700647k
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C46 H44 Cl8 N2 P2 Ru'
_chemical_formula_weight         1071.44
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 90.938(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.2956(10)
_cell_length_b                   9.9079(3)
_cell_length_c                   24.8352(5)
_cell_measurement_temperature    153(2)
_cell_volume                     9175.9(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0418
_diffrn_reflns_av_sigmaI/netI    0.0240
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            83480
_diffrn_reflns_theta_full        25.44
_diffrn_reflns_theta_max         25.44
_diffrn_reflns_theta_min         2.75
_exptl_absorpt_coefficient_mu    0.914
_exptl_absorpt_correction_T_max  0.7228
_exptl_absorpt_correction_T_min  0.6193
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4352
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.38
_refine_diff_density_max         1.484
_refine_diff_density_min         -0.977
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.192
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     534
_refine_ls_number_reflns         8431
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.192
_refine_ls_R_factor_all          0.0810
_refine_ls_R_factor_gt           0.0686
_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^)+(0.0315P)^2^+161.2733P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1654
_refine_ls_wR_factor_ref         0.1693
_reflns_number_gt                6984
_reflns_number_total             8431
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700647k-file002.cif
_cod_data_source_block           bar5
_cod_database_code               4073821