Synthesis of and Stereospecific Hydride Migration in Cationic (Tricyclic arene)(cyclooctadiene)ruthenium(II) Complexes
Hirano, Masafumi; Shibasaki, Takao; Komiya, Sanshiro; Bennett, Martin A.; Organometallics 21 (2002) 5738–; doi:10.1021/om0205997

data_4077114
_publ_section_title
;
 Synthesis of and Stereospecific Hydride Migration in Cationic (Tricyclic
 arene)(cyclooctadiene)ruthenium(II) Complexes
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              5738
_journal_paper_doi               10.1021/om0205997
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C22 H22 Ru '
_chemical_formula_sum            'C22 H22 Ru'
_chemical_formula_weight         387.49
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.31(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.158(2)
_cell_length_b                   12.752(4)
_cell_length_c                   11.969(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    93.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.8
_cell_volume                     1564.0(6)
_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 0.9972
_diffrn_measured_fraction_theta_max 0.9972
_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  0.044
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3954
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_standards_decay_%        0.42
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.000
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.735
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         2.15
_refine_diff_density_min         -2.73
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.802
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     208
_refine_ls_number_reflns         2465
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.0172
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0731
_reflns_number_gt                2465
_reflns_number_total             3606
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om0205997.cif
_cod_data_source_block           Complex-4
_cod_original_formula_sum        'C22 H22 Ru '
_cod_database_code               4077114