Stoichiometric and Catalytic Cross Dimerization between Conjugated Dienes and Conjugated Carbonyls by a Ruthenium(0) Complex: Straightforward Access to Unsaturated Carbonyl Compounds by an Oxidative Coupling Mechanism
Hirano, Masafumi; Arai, Yasutomo; Hamamura, Yuka; Komine, Nobuyuki; Komiya, Sanshiro; Organometallics 31 (2012) 4006–; doi:10.1021/om300234d

data_4078297
_publ_section_title
;
 Stoichiometric and Catalytic Cross Dimerization between Conjugated Dienes
 and Conjugated Carbonyls by a Ruthenium(0) Complex: Straightforward
 Access to Unsaturated Carbonyl Compounds by an Oxidative Coupling
 Mechanism
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              4006
_journal_paper_doi               10.1021/om300234d
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C35 H42 N O P Ru '
_chemical_formula_sum            'C35 H42 N O P Ru'
_chemical_formula_weight         624.77
_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                82.687(6)
_cell_angle_beta                 87.793(8)
_cell_angle_gamma                76.674(8)
_cell_formula_units_Z            2
_cell_length_a                   10.199(2)
_cell_length_b                   10.922(3)
_cell_length_c                   13.664(4)
_cell_measurement_reflns_used    4569
_cell_measurement_temperature    200.0
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1469.0(7)
_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 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.019
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11739
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.617
_exptl_absorpt_correction_T_max  0.954
_exptl_absorpt_correction_T_min  0.833
_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    1.412
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             652.00
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     489
_refine_ls_number_reflns         6635
_refine_ls_R_factor_gt           0.0302
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0401P)^2^+0.6566P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0800
_reflns_number_gt                6003
_reflns_number_total             6635
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om300234d_si_001.cif
_cod_data_source_block           '__3aePPh3'
_cod_original_cell_volume        1468.9(6)
_cod_original_formula_sum        'C35 H42 N O P Ru '
_cod_database_code               4078297