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_4333277
_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         'C26 H49 Cl O4 P2 Ru '
_chemical_formula_sum            'C26 H49 Cl O4 P2 Ru'
_chemical_formula_weight         624.14
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.489(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.689(9)
_cell_length_b                   13.894(6)
_cell_length_c                   20.617(10)
_cell_measurement_reflns_used    15757
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     5786(5)
_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 7.31
_diffrn_measured_fraction_theta_full 0.9944
_diffrn_measured_fraction_theta_max 0.9944
_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  0.053
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            46131
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.774
_exptl_absorpt_correction_T_max  0.903
_exptl_absorpt_correction_T_min  0.773
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2624.00
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         6.36
_refine_diff_density_min         -3.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.885
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     711
_refine_ls_number_reflns         13258
_refine_ls_R_factor_gt           0.0490
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1490
_reflns_number_gt                27020
_reflns_number_total             45061
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic700470nsup3.cif
_cod_data_source_block           '__C5Me5RuClPCy(CH2OH)2'
_cod_depositor_comments
'Adding full bibliography for 4333275--4333277.cif.'
_cod_original_cell_volume        5786.3(45)
_cod_original_formula_sum        'C26 H49 Cl O4 P2 Ru '
_cod_database_code               4333277