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_4071691
_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         'C50 H44 O P2 Ru '
_chemical_formula_sum            'C50 H44 O P2 Ru'
_chemical_formula_weight         823.91
_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                96.38(2)
_cell_angle_beta                 110.60(2)
_cell_angle_gamma                88.54(2)
_cell_formula_units_Z            2
_cell_length_a                   13.898(3)
_cell_length_b                   15.542(4)
_cell_length_c                   10.008(2)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    200.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.5
_cell_volume                     2010.8(8)
_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    DirectMethod
_diffrn_measured_fraction_theta_full 1.0003
_diffrn_measured_fraction_theta_max 1.0003
_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_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            9586
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.03
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.507
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.936
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.85
_refine_diff_density_min         -0.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     483
_refine_ls_number_reflns         4322
_refine_ls_R_factor_gt           0.0483
_refine_ls_shift/su_max          1.7470
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00090|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0599
_reflns_number_gt                4322
_reflns_number_total             9204
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om800318z-file001.cif
_cod_data_source_block           complex2c
_cod_original_cell_volume        2010.6(9)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C50 H44 O P2 Ru '
_cod_database_code               4071691