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_7012811
_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            'C38 H34 F12 N8 O2 P2 Pt2 S3'
_chemical_formula_weight         1411.03
_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                94.517(5)
_cell_angle_beta                 91.111(2)
_cell_angle_gamma                97.789(2)
_cell_formula_units_Z            1
_cell_length_a                   5.800(2)
_cell_length_b                   13.071(1)
_cell_length_c                   14.879(3)
_cell_measurement_reflns_used    5257
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.1016
_cell_measurement_theta_min      2.0043
_cell_volume                     1113.6(5)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SAPI90
_diffrn_measured_fraction_theta_full 0.9315
_diffrn_measured_fraction_theta_max 0.9315
_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  0.019
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7727
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_exptl_absorpt_coefficient_mu    6.558
_exptl_absorpt_correction_T_max  1.0022
_exptl_absorpt_correction_T_min  0.5719
_exptl_absorpt_correction_type
;
REQABA Empirical Absorption Correction, Version 1.1-03101998, Robert A. 
Jacobson, Molecular Structure Corp. 1996-1998'
;
_exptl_crystal_colour            'red orange'
_exptl_crystal_density_diffrn    2.104
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.68
_refine_diff_density_min         -1.02
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.786
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4058
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.01000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0527
_reflns_number_gt                4058
_reflns_number_total             4567
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b301390c.txt
_cod_data_source_block           '[{Pt(tpy)}2DMcT](PF6)2'
_cod_original_cell_volume        1113.7(4)
_cod_original_formula_sum        'C38 H34 F12 N8 O2 P2 Pt2 S3 '
_cod_database_code               7012811