Deprotonation/protonation of coordinated secondary thioamide units of pincer ruthenium complexes: Modulation of voltammetric and spectroscopic characterization of the pincer complexes.
Teratani, Takuya; Koizumi, Take-Aki; Yamamoto, Takakazu; Tanaka, Koji; Kanbara, Takaki; Dalton transactions (Cambridge, England : 2003) 40 (2011) 8879–8886; doi:10.1039/c0dt01283a

data_7016276
_publ_section_title
;
 Deprotonation/protonation of coordinated secondary thioamide units of
 pincer ruthenium complexes: Modulation of voltammetric and
 spectroscopic characterization of the pincer complexes.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8879
_journal_page_last               8886
_journal_paper_doi               10.1039/c0dt01283a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C41 H40 F6 N5 O P Ru S2 '
_chemical_formula_sum            'C41 H40 F6 N5 O P Ru S2'
_chemical_formula_weight         928.95
_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                77.43(2)
_cell_angle_beta                 86.74(3)
_cell_angle_gamma                64.02(4)
_cell_formula_units_Z            2
_cell_length_a                   11.75(2)
_cell_length_b                   13.87(3)
_cell_length_c                   14.74(3)
_cell_measurement_reflns_used    752
_cell_measurement_temperature    120.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      4.3
_cell_volume                     2106(7)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2002
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.069
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18850
_diffrn_reflns_theta_full        27.23
_diffrn_reflns_theta_max         27.23
_exptl_absorpt_coefficient_mu    0.574
_exptl_absorpt_correction_T_max  0.944
_exptl_absorpt_correction_T_min  0.452
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             948.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.17
_refine_diff_density_min         -2.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     554
_refine_ls_number_reflns         5427
_refine_ls_R_factor_gt           0.0726
_refine_ls_shift/su_max          0.0034
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0059Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1048
_reflns_number_gt                5368
_reflns_number_total             8913
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0dt01283a.txt
_cod_data_source_block           '_Complex'
_cod_original_formula_sum        'C41 H40 F6 N5 O P Ru S2 '
_cod_database_code               7016276