Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand
Oyama, D.; Fukuda, A.; Yamanaka, T.; Takase, T.; Inorganics 1 (2013) 32–45; doi:10.3390/inorganics1010032

data_1556449
_publ_section_title
;
 Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing
 a Molecular Sieve Effect in the Supporting Ligand
;
_journal_name_full               Inorganics
_journal_page_first              32
_journal_page_last               45
_journal_paper_doi               10.3390/inorganics1010032
_journal_volume                  1
_journal_year                    2013
_chemical_formula_moiety         'C41 H35 Cl2 N6 O2 P Ru'
_chemical_formula_sum            'C41 H35 Cl2 N6 O2 P Ru'
_chemical_formula_weight         846.72
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_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
_cell_angle_alpha                90.0000
_cell_angle_beta                 114.9980(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   26.4297(5)
_cell_length_b                   16.2228(3)
_cell_length_c                   19.4965(4)
_cell_measurement_reflns_used    29504
_cell_measurement_temperature    173(1)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.04
_cell_volume                     7576.3(3)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, 2006)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      173(1)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0420
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            34745
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.642
_exptl_absorpt_correction_T_max  0.852
_exptl_absorpt_correction_T_min  0.618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            'deep violet'
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3456.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.250
_refine_diff_density_max         1.010
_refine_diff_density_min         -0.660
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     474
_refine_ls_number_reflns         8632
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0311
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0401P)^2^+10.2543P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0803
_reflns_number_gt                7446
_reflns_number_total             8632
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            complex_8.cif
_cod_data_source_block           '[Ru(dnp)(PPh3)(CH3CN)Cl]Cl'
_cod_database_code               1556449