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_4333275
_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         'C41 H42 Cl3 O4 P3 Ru '
_chemical_formula_sum            'C41 H42 Cl3 O4 P3 Ru'
_chemical_formula_weight         899.13
_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                 96.060(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.699(4)
_cell_length_b                   20.240(6)
_cell_length_c                   15.276(5)
_cell_measurement_reflns_used    13689
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3904(2)
_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 0.9796
_diffrn_measured_fraction_theta_max 0.9796
_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  0.031
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30257
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.771
_exptl_absorpt_correction_T_max  0.891
_exptl_absorpt_correction_T_min  0.770
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1840.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.27
_refine_diff_density_min         -1.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     523
_refine_ls_number_reflns         29803
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 1.1300\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1080
_reflns_number_gt                8137
_reflns_number_total             29803
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic700470nsup1.cif
_cod_data_source_block           '__RuHCOClP3'
_cod_depositor_comments
'Adding full bibliography for 4333275--4333277.cif.'
_cod_original_cell_volume        3904.6(20)
_cod_original_formula_sum        'C41 H42 Cl3 O4 P3 Ru '
_cod_database_code               4333275