Effects of Phosphine Ligand Chelation on the Reactivity of Monomeric Parent Amido Ruthenium Complexes: Synthesis and Reactivity of Such a Complex Bearing Monodentate Ligands
Andrew W. Holland; Robert G. Bergman; Journal of the American Chemical Society 124 (2002) 14684–14695; doi:10.1021/ja027620f

data_4115366
_publ_section_title
;
 Effects of Phosphine Ligand Chelation on the Reactivity of Monomeric
 Parent Amido Ruthenium Complexes: Synthesis and Reactivity of Such a
 Complex Bearing Monodentate Ligands
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14684
_journal_page_last               14695
_journal_paper_doi               10.1021/ja027620f
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C29 H57 N3 O0.5 P4 Ru'
_chemical_formula_weight         680.75
_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'
_audit_creation_date             'Wed Dec 19 14:12:06 2001'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                91.812(1)
_cell_angle_beta                 103.976(1)
_cell_angle_gamma                102.740(1)
_cell_formula_units_Z            4
_cell_length_a                   11.8161(2)
_cell_length_b                   14.1196(4)
_cell_length_c                   22.7184(6)
_cell_measurement_reflns_used    5001
_cell_measurement_temperature    140.2
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      1.5
_cell_volume                     3573.09(15)
_computing_cell_refinement       'Bruker SAINT v5.04'
_computing_data_collection       'Bruker SMART v5.0'
_computing_data_reduction        'Bruker SAINT v5.04'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SAPI91
_diffrn_measured_fraction_theta_full 0.9344
_diffrn_measured_fraction_theta_max 0.9344
_diffrn_measurement_device_type  'SMART CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.047
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            11305
_diffrn_reflns_theta_full        24.68
_diffrn_reflns_theta_max         24.68
_exptl_absorpt_coefficient_mu    0.641
_exptl_absorpt_correction_T_max  0.944
_exptl_absorpt_correction_T_min  0.500
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_description       platelike
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.82
_refine_diff_density_min         -1.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.613
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     674
_refine_ls_number_reflns         6091
_refine_ls_R_factor_gt           0.0521
_refine_ls_shift/su_max          0.0799
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0634
_reflns_number_gt                6091
_reflns_number_total             11305
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja027620f-2_s2.cif
_cod_data_source_block           manuscript_JA027620F-
_cod_original_cell_volume        3573.1(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C29 H57 N3 O0.50 P4 Ru '
_cod_database_code               4115366