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_7012810
_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            'C17 H12 F6 N5 P Pt S3'
_chemical_formula_weight         722.55
_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                99.05(1)
_cell_angle_beta                 112.839(5)
_cell_angle_gamma                104.803(7)
_cell_formula_units_Z            2
_cell_length_a                   10.771(2)
_cell_length_b                   11.599(3)
_cell_length_c                   9.660(1)
_cell_measurement_reflns_used    8260
_cell_measurement_temperature    107
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.4
_cell_volume                     1029.8(4)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SAPI91
_diffrn_measured_fraction_theta_full 0.9515
_diffrn_measured_fraction_theta_max 0.9515
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.078
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4476
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    7.239
_exptl_absorpt_correction_T_max  0.798
_exptl_absorpt_correction_T_min  0.217
_exptl_absorpt_correction_type   numabs
_exptl_absorpt_process_details   '(Higashi, 1998)'
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    2.330
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.48
_refine_diff_density_min         -3.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.559
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3985
_refine_ls_R_factor_gt           0.0562
_refine_ls_shift/su_max          0.0001
_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         0.1429
_reflns_number_gt                3985
_reflns_number_total             4476
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b301390c.txt
_cod_data_source_block           '[Pt(tpy)(DMcTH)]PF6'
_cod_original_cell_volume        1029.8(3)
_cod_original_formula_sum        'C17 H12 F6 N5 P Pt S3 '
_cod_database_code               7012810