Bis(bipyridine) ruthenium(ii) bis(phosphido) metalloligand: synthesis of heterometallic complexes and application to catalytic (E)-selective alkyne semi-hydrogenation.
Takemoto, Shin; Kitamura, Manami; Saruwatari, Shuhei; Isono, Atsutaka; Takada, Yoko; Nishimori, Rie; Tsujiwaki, Mina; Sakaue, Naoki; Matsuzaka, Hiroyuki; Dalton transactions (Cambridge, England : 2003) 48 (2019) 1161–1165; doi:10.1039/c8dt04646h

data_7048321
_publ_section_title
;
 Bis(bipyridine) ruthenium(ii) bis(phosphido) metalloligand: synthesis of
 heterometallic complexes and application to catalytic (E)-selective
 alkyne semi-hydrogenation.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1161
_journal_page_last               1165
_journal_paper_doi               10.1039/c8dt04646h
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C55 H52 Cl4 F3 N4 O3 P2 Rh Ru S'
_chemical_formula_sum            'C55 H52 Cl4 F3 N4 O3 P2 Rh Ru S'
_chemical_formula_weight         1313.83
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2018-09-27 deposited with the CCDC.
2018-12-06 downloaded from the CCDC.
;
_cell_angle_alpha                82.036(6)
_cell_angle_beta                 88.284(6)
_cell_angle_gamma                74.438(5)
_cell_formula_units_Z            2
_cell_length_a                   10.7935(6)
_cell_length_b                   15.5987(9)
_cell_length_c                   17.0524(11)
_cell_measurement_reflns_used    18752
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.01
_cell_volume                     2739.0(3)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.1.1'
_computing_publication_material  'CrystalStructure 4.1.1 (Rigaku, 2015)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26334
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.465
_diffrn_reflns_theta_min         3.010
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.926
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.678
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1328.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.23
_refine_diff_density_min         -1.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     676
_refine_ls_number_reflns         12104
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0940
_refine_ls_R_factor_gt           0.0578
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0631P)^2^+9.2823P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1328
_refine_ls_wR_factor_ref         0.1489
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8505
_reflns_number_total             12104
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c8dt04646h2.cif
_cod_data_source_block           RuRh-re
_cod_depositor_comments
'Adding full bibliography for 7048321--7048322.cif.'
_cod_database_code               7048321
_shelx_res_checksum              87623