Terpyridine platinum(II) complexes containing triazine di- or tri-thiolate bridges: structures, luminescence, electrochemistry, and aggregation.
Zhang, Hua-Xin; Kato, Masako; Sasaki, Yoichi; Ohba, Tadashi; Ito, Hiroto; Kobayashi, Atsushi; Chang, Ho-Chol; Uosaki, Kohei; Dalton transactions (Cambridge, England : 2003) 41 (2012) 11497–11506; doi:10.1039/c2dt30997a

data_7030215
_publ_section_title
;
 Terpyridine platinum(II) complexes containing triazine di- or
 tri-thiolate bridges: structures, luminescence, electrochemistry, and
 aggregation.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11497
_journal_page_last               11506
_journal_paper_doi               10.1039/c2dt30997a
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C47 H51 F12 N9 O2 P2 Pt2 S3 '
_chemical_formula_sum            'C47 H51 F12 N9 O2 P2 Pt2 S3'
_chemical_formula_weight         1550.27
_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                100.5699(16)
_cell_angle_beta                 93.8369(15)
_cell_angle_gamma                106.9058(18)
_cell_formula_units_Z            2
_cell_length_a                   12.4758(5)
_cell_length_b                   14.6309(8)
_cell_length_c                   15.8966(7)
_cell_measurement_reflns_used    7708
_cell_measurement_temperature    150.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2706.7(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      150.1
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19060
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    5.406
_exptl_absorpt_correction_T_max  0.582
_exptl_absorpt_correction_T_min  0.380
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.902
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1508.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.65
_refine_diff_density_min         -3.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     695
_refine_ls_number_reflns         12029
_refine_ls_R_factor_gt           0.0498
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0340P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1195
_reflns_number_gt                9356
_reflns_number_total             12029
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c2dt30997a.txt
_cod_data_source_block           '____complex'
_cod_original_formula_sum        'C47 H51 F12 N9 O2 P2 Pt2 S3 '
_cod_database_code               7030215