Synthesis of ruthenium(II) complexes containing hydroxymethylphosphines and their catalytic activities for hydrogenation of supercritical carbon dioxide.
Kayaki, Yoshihito; Shimokawatoko, Yoshiki; Ikariya, Takao; Inorganic chemistry 46 (2007) 5791–5797; doi:10.1021/ic700470n

data_4333276
_publ_section_title
;
 Synthesis of ruthenium(II) complexes containing hydroxymethylphosphines
 and their catalytic activities for hydrogenation of supercritical carbon
 dioxide.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5791
_journal_page_last               5797
_journal_paper_doi               10.1021/ic700470n
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C37 H43 Cl3 O2 P2 Ru '
_chemical_formula_sum            'C37 H43 Cl3 O2 P2 Ru'
_chemical_formula_weight         789.12
_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                 94.339(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.901(6)
_cell_length_b                   17.515(9)
_cell_length_c                   17.487(8)
_cell_measurement_reflns_used    11810
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3635(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 28.57
_diffrn_measured_fraction_theta_full 0.9721
_diffrn_measured_fraction_theta_max 0.9721
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.071
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            29079
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.771
_exptl_absorpt_correction_T_max  0.857
_exptl_absorpt_correction_T_min  0.825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1624.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         7.94
_refine_diff_density_min         -3.03
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     449
_refine_ls_number_reflns         28562
_refine_ls_R_factor_gt           0.0760
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 1.4300\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2190
_reflns_number_gt                24103
_reflns_number_total             28562
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic700470nsup2.cif
_cod_data_source_block           '__CpRuDPHMP'
_cod_depositor_comments
'Adding full bibliography for 4333275--4333277.cif.'
_cod_original_cell_volume        3634.6(30)
_cod_original_formula_sum        'C37 H43 Cl3 O2 P2 Ru '
_cod_database_code               4333276