Switching of the Electronic Communication between Two {Ru(trpy)(bpy)} (trpy = 2,2':6',2''-Terpyridine and bpy = 2,2'-Bipyridine) Centers by Protonation on the Bridging Dimercaptothiadiazolato Ligand
Hidenori Tannai; Kiyoshi Tsuge; Yoichi Sasaki; Inorganic Chemistry 44 (2005) 5206–5208; doi:10.1021/ic050672w

data_4309290
_publ_section_title
;
Switching of the Electronic Communication between Two {Ru(trpy)(bpy)} (trpy
= 2,2':6',2''-Terpyridine and bpy = 2,2'-Bipyridine) Centers by
Protonation on the Bridging Dimercaptothiadiazolato Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5206
_journal_page_last               5208
_journal_paper_doi               10.1021/ic050672w
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C64 H62 F12 N12 O4 Ru2 S3 Sb2'
_chemical_formula_weight         1833.07
_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'
_cell_angle_alpha                80.1361(100)
_cell_angle_beta                 78.3889(96)
_cell_angle_gamma                77.3611(99)
_cell_formula_units_Z            1
_cell_length_a                   10.4233(25)
_cell_length_b                   11.6807(29)
_cell_length_c                   15.3942(39)
_cell_measurement_reflns_used    5868
_cell_measurement_temperature    153.1500
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.1099
_cell_volume                     1775.5(8)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    DirectMethod
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measured_fraction_theta_full 88.6000
_diffrn_measured_fraction_theta_max 27.4835
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0180
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10610
_diffrn_reflns_theta_full        27.4835
_diffrn_reflns_theta_max         27.4835
_exptl_absorpt_coefficient_mu    1.344
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7558
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'Dark Purple'
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.45
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.775
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     460
_refine_ls_number_reflns         5284
_refine_ls_R_factor_gt           0.0759
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.08000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1968
_reflns_number_gt                5284
_reflns_number_total             7187
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic050672wsi20050501_071953.cif
_cod_data_source_block           '_Ru2DMcT'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C64 H62 F12 N12 O4 Ru2 S3 Sb2 '
_cod_database_code               4309290