Synthesis and dynamic behavior of an anthyridine-ligated ruthenium complex.
Hirakawa, Shota; Koizumi, Take-Aki; Inorganic chemistry 53 (2014) 10788–10790; doi:10.1021/ic5011743

data_4341274
_publ_section_title
;
 Synthesis and dynamic behavior of an anthyridine-ligated ruthenium
 complex.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10788
_journal_page_last               10790
_journal_paper_doi               10.1021/ic5011743
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C47 H30 F12 N11 P2 Ru'
_chemical_formula_sum            'C47 H30 F12 N11 P2 Ru'
_chemical_formula_weight         1139.83
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_cell_angle_alpha                94.130(8)
_cell_angle_beta                 94.390(8)
_cell_angle_gamma                93.802(7)
_cell_formula_units_Z            2
_cell_length_a                   12.5071(14)
_cell_length_b                   12.7442(17)
_cell_length_c                   17.496(2)
_cell_measurement_reflns_used    7727
_cell_measurement_temperature    113
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.21
_cell_volume                     2766.1(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.916
_diffrn_measured_fraction_theta_max 0.916
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0227
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19721
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.423
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_correction_T_min  0.750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1142.00
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         2.400
_refine_diff_density_min         -0.689
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     697
_refine_ls_number_reflns         11616
_refine_ls_R_factor_gt           0.0730
_refine_ls_shift/su_max          0.081
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0134Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1392
_reflns_number_gt                9686
_reflns_number_total             11616
_reflns_threshold_expression     F>2.0\s(F)
_cod_data_source_file            ic5011743_si_003.cif
_cod_data_source_block           HIS-108-MeCN
_cod_depositor_comments
'Adding full bibliography for 4341274--4341275.cif.'
_cod_database_code               4341274