Catalytic Tail-to-Tail Selective Dimerization of Methyl Methacrylate Promoted by a Ruthenium(0) Complex
Hirano, Masafumi; Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Organometallics 29 (2010) 3690–; doi:10.1021/om100646q

data_4066812
_publ_section_title
;
 Catalytic Tail-to-Tail Selective Dimerization of Methyl Methacrylate
 Promoted by a Ruthenium(0) Complex
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              3690
_journal_paper_doi               10.1021/om100646q
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C16 H29 O2 P Ru '
_chemical_formula_sum            'C16 H29 O2 P Ru'
_chemical_formula_weight         385.45
_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                90.0000
_cell_angle_beta                 102.164(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.095(3)
_cell_length_b                   14.037(4)
_cell_length_c                   13.740(4)
_cell_measurement_reflns_used    5172
_cell_measurement_temperature    200.0
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1714.8(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.021
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13490
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    1.007
_exptl_absorpt_correction_T_max  0.925
_exptl_absorpt_correction_T_min  0.868
_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    1.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             800.00
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.59
_refine_diff_density_min         -0.56
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3930
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0390P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0661
_reflns_number_gt                3282
_reflns_number_total             3930
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100646q_si_003.cif
_cod_data_source_block           '__HRI0351F'
_cod_original_cell_volume        1714.6(9)
_cod_original_formula_sum        'C16 H29 O2 P Ru '
_cod_database_code               4066812