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_7048322
_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         'C106 H108 B2 Cl4 Cu2 F8 N8 O4 P4 Ru2'
_chemical_formula_sum            'C106 H108 B2 Cl4 Cu2 F8 N8 O4 P4 Ru2'
_chemical_formula_weight         2326.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                90.0000
_cell_angle_beta                 123.565(9)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   33.050(3)
_cell_length_b                   16.3313(11)
_cell_length_c                   22.7509(16)
_cell_measurement_reflns_used    51776
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.39
_cell_measurement_theta_min      2.99
_cell_volume                     10232.2(17)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0518
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            76424
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.401
_diffrn_reflns_theta_min         2.994
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.938
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.619
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4752.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.58
_refine_diff_density_min         -1.40
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     607
_refine_ls_number_reflns         11617
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0730P)^2^+36.7149P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1296
_refine_ls_wR_factor_ref         0.1427
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8746
_reflns_number_total             11617
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c8dt04646h2.cif
_cod_data_source_block           Ru-Cu(NCMe)4
_cod_depositor_comments
'Adding full bibliography for 7048321--7048322.cif.'
_cod_original_cell_volume        10232.2(16)
_cod_database_code               7048322
_shelx_res_checksum              55466