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_4341275
_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         'C39 H27 F12 N7 P2 Ru '
_chemical_formula_sum            'C39 H27 F12 N7 P2 Ru'
_chemical_formula_weight         984.69
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 99.7870(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.287(4)
_cell_length_b                   17.777(5)
_cell_length_c                   16.497(5)
_cell_measurement_reflns_used    9387
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3840(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      113.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.057
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            28049
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.592
_exptl_absorpt_correction_T_max  0.915
_exptl_absorpt_correction_T_min  0.810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1968.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.77
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     577
_refine_ls_number_reflns         8626
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.0261
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0434
_reflns_number_gt                5296
_reflns_number_total             8626
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic5011743_si_002.cif
_cod_data_source_block           '__[1](PF6)2'
_cod_depositor_comments
'Adding full bibliography for 4341274--4341275.cif.'
_cod_original_cell_volume        3839.8(18)
_cod_original_formula_sum        'C39 H27 F12 N7 P2 Ru '
_cod_database_code               4341275