Acid-Promoted Hydrogen Migration in (2-Allylphenoxo)ruthenium(II) To Form an η3-Allyl Complex
Hirano, Masafumi; Kuga, Toshinori; Kitamura, Mariko; Kanaya, Susumu; Komine, Nobuyuki; Komiya, Sanshiro; Organometallics 27 (2008) 3635–; doi:10.1021/om800318z

data_4071692
_publ_section_title
;
 Acid-Promoted Hydrogen Migration in (2-Allylphenoxo)ruthenium(II) To Form
 an \h3-Allyl Complex
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3635
_journal_paper_doi               10.1021/om800318z
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C32 H29 O P Ru '
_chemical_formula_sum            'C32 H29 O P Ru'
_chemical_formula_weight         561.62
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.843(4)
_cell_length_b                   19.073(5)
_cell_length_c                   15.619(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    200.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.8
_cell_volume                     5018(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SAPI91
_diffrn_measured_fraction_theta_full 0.2622
_diffrn_measured_fraction_theta_max 0.2622
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6354
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.29
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.713
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.855
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.78
_refine_ls_extinction_coef       0.0014(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.244
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     317
_refine_ls_number_reflns         4270
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.0008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00087|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0485
_reflns_number_gt                4270
_reflns_number_total             1913
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om800318z-file001.cif
_cod_data_source_block           complex4c
_cod_original_cell_volume        5017(1)
_cod_original_sg_symbol_H-M      'P 21/b 21/c 21/a'
_cod_original_formula_sum        'C32 H29 O P Ru '
_cod_database_code               4071692