Isolation oftrans-2,5-Bis(methoxycarbonyl)ruthenacyclopentane by Oxidative Coupling of Methyl Acrylate on Ruthenium(0) as an Active Intermediate for Tail-to-Tail Selective Catalytic Dimerization
Hirano, Masafumi; Sakate, Yumiko; Komine, Nobuyuki; Komiya, Sanshiro; Bennett, Martin A.; Organometallics 28 (2009) 4902–; doi:10.1021/om9004065

data_4069768
_publ_section_title
;
 Isolation oftrans-2,5-Bis(methoxycarbonyl)ruthenacyclopentane by
 Oxidative Coupling of Methyl Acrylate on Ruthenium(0) as an Active
 Intermediate for Tail-to-Tail Selective Catalytic Dimerization
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4902
_journal_paper_doi               10.1021/om9004065
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C20 H30 N2 O4 Ru '
_chemical_formula_sum            'C20 H30 N2 O4 Ru'
_chemical_formula_weight         463.54
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 127.721(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   22.828(5)
_cell_length_b                   14.256(3)
_cell_length_c                   15.801(4)
_cell_measurement_reflns_used    6711
_cell_measurement_temperature    200.0
_cell_measurement_theta_max      30.8
_cell_measurement_theta_min      2.9
_cell_volume                     4067.5(16)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.893
_diffrn_measured_fraction_theta_max 0.893
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.014
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17472
_diffrn_reflns_theta_full        30.80
_diffrn_reflns_theta_max         30.80
_exptl_absorpt_coefficient_mu    0.798
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            paleyellow
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1920.00
_exptl_crystal_size_max          0.81
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.13
_refine_diff_density_max         7.55
_refine_diff_density_min         -2.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     277
_refine_ls_number_reflns         15642
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0988
_reflns_number_gt                15612
_reflns_number_total             5697
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om9004065_si_003.cif
_cod_data_source_block           '__complex3'
_cod_original_cell_volume        4067.4(15)
_cod_original_formula_sum        'C20 H30 N2 O4 Ru '
_cod_database_code               4069768