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_4076202
_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_sum            'C30.5 H31.5 N O4 P Ru'
_chemical_formula_weight         608.13
_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                72.3808(7)
_cell_angle_beta                 67.497(5)
_cell_angle_gamma                81.613(1)
_cell_formula_units_Z            2
_cell_length_a                   11.0230(8)
_cell_length_b                   11.207(1)
_cell_length_c                   12.7551(8)
_cell_measurement_reflns_used    4429
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.9
_cell_volume                     1386.63(19)
_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 0.9291
_diffrn_measured_fraction_theta_max 0.9291
_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  0.035
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11393
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.659
_exptl_absorpt_correction_T_max  0.942
_exptl_absorpt_correction_T_min  0.858
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.69
_refine_diff_density_min         -1.04
_refine_ls_extinction_coef       0.013(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.691
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     344
_refine_ls_number_reflns         5901
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.0416
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.03500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0893
_reflns_number_gt                5307
_reflns_number_total             5901
_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        1386.6(2)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C30.50 H31.50 N O4 P Ru '
_cod_database_code               4076202