Dramatic Rate Acceleration by a Diphenyl-2-pyridylphosphine Ligand in the Hydration of Nitriles Catalyzed by Ru(acac)2Complexes
Oshiki, Toshiyuki; Yamashita, Hitoshi; Sawada, Kensuke; Utsunomiya, Masaru; Takahashi, Kazunari; Takai, Kazuhiko; Organometallics 24 (2005) 6287–; doi:10.1021/om050792b

data_4076203
_publ_section_title
;
 Dramatic Rate Acceleration by a Diphenyl-2-pyridylphosphine Ligand in the
 Hydration of Nitriles Catalyzed by Ru(acac)2Complexes
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              6287
_journal_paper_doi               10.1021/om050792b
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C44 H42 N2 O4 P2 Ru '
_chemical_formula_sum            'C44 H42 N2 O4 P2 Ru'
_chemical_formula_weight         825.84
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.998(10)
_cell_angle_beta                 88.433(10)
_cell_angle_gamma                81.196(6)
_cell_formula_units_Z            2
_cell_length_a                   10.224(1)
_cell_length_b                   10.799(2)
_cell_length_c                   17.946(3)
_cell_measurement_reflns_used    7439
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.0
_cell_volume                     1899.8(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9295
_diffrn_measured_fraction_theta_max 0.9295
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.048
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15740
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.543
_exptl_absorpt_correction_T_max  0.881
_exptl_absorpt_correction_T_min  0.820
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.560
_exptl_crystal_size_min          0.510
_refine_diff_density_max         0.53
_refine_diff_density_min         -1.29
_refine_ls_extinction_coef       0.006(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.723
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     479
_refine_ls_number_reflns         8065
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.0016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1095
_reflns_number_gt                7585
_reflns_number_total             8065
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om050792bsi20051108_022423.cif
_cod_data_source_block           yama
_cod_original_cell_volume        1899.7(5)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C44 H42 N2 O4 P2 Ru '
_cod_database_code               4076203