Monodentate and bridging coordination of 2,5-dimercapto-1,3,4-thiadiazolate to a (2,2':6',2''-terpyridine)platinum(II) center
Tannai, Hidenori; Tsuge, Kiyoshi; Sasaki, Yoichi; Hatozaki, Osamu; Oyama, Noboru; Dalton Transactions  (2003) 2353–2358; doi:10.1039/b301390c

data_7012809
_publ_section_title
;
 Monodentate and bridging coordination of 2,5-dimercapto-1,3,4-thiadiazolate
 to a (2,2':6',2''-terpyridine)platinum(II) center
;
_journal_coden_ASTM              DTARAF
_journal_issue                   11
_journal_name_full               'Dalton Transactions'
_journal_page_first              2353
_journal_page_last               2358
_journal_paper_doi               10.1039/b301390c
_journal_year                    2003
_chemical_formula_sum            'C18 H14 F6 N5 P Pt S2'
_chemical_formula_weight         704.52
_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
_cell_angle_beta                 92.19(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.269(4)
_cell_length_b                   16.431(5)
_cell_length_c                   11.7746(5)
_cell_measurement_temperature    296
_cell_volume                     2178.6(10)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    MULTAN88
_diffrn_measured_fraction_theta_full 0.9324
_diffrn_measured_fraction_theta_max 0.9324
_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  0.036
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11454
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_exptl_absorpt_coefficient_mu    6.749
_exptl_absorpt_correction_T_max  1.004773
_exptl_absorpt_correction_T_min  0.3877
_exptl_absorpt_correction_type
;
REQABA Empirical Absorption Correction, Version 1.1-03101998, Robert A. 
Jacobson, Molecular Structure Corp. 1996-1998'
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.148
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         4.18
_refine_diff_density_min         -3.20
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.198
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3995
_refine_ls_R_factor_gt           0.0572
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.03500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1459
_reflns_number_gt                3995
_reflns_number_total             4483
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b301390c.txt
_cod_data_source_block           '[Pt(tpy)(McMT)]PF6'
_cod_original_cell_volume        2178(1)
_cod_original_formula_sum        'C18 H14 F6 N5 P Pt S2 '
_cod_database_code               7012809