Luminescence, electrochemistry and host‒guest properties of dinuclear platinum(II) terpyridyl complexes of sulfur-containing bridging ligands
Tang, Rowena Pui-Ling; Wong, Keith Man-Chung; Zhu, Nianyong; Yam, Vivian Wing-Wah; Dalton Transactions  (2009) 3911–3922; doi:10.1039/b821264c

data_7001303
_publ_section_title
;
 Luminescence, electrochemistry and host--guest properties of dinuclear
 platinum(II) terpyridyl complexes of sulfur-containing bridging ligands
;
_journal_coden_ASTM              DTARAF
_journal_issue                   20
_journal_name_full               'Dalton Transactions'
_journal_page_first              3911
_journal_page_last               3922
_journal_paper_doi               10.1039/b821264c
_journal_year                    2009
_chemical_formula_sum            'C36 H26 F12 N6 P2 Pt2 S2'
_chemical_formula_weight         1286.87
_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'
_audit_creation_date             'Mon May 6 03:13:12 2008'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                105.638(7)
_cell_angle_beta                 95.371(7)
_cell_angle_gamma                96.194(7)
_cell_formula_units_Z            2
_cell_length_a                   8.5245(9)
_cell_length_b                   13.522(2)
_cell_length_c                   17.921(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    301.2
_cell_measurement_theta_max      39.8
_cell_measurement_theta_min      37.6
_cell_volume                     1961.3(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      301.2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.00413
_diffrn_orient_matrix_UB_12      0.04342
_diffrn_orient_matrix_UB_13      0.05519
_diffrn_orient_matrix_UB_21      0.01914
_diffrn_orient_matrix_UB_22      0.06424
_diffrn_orient_matrix_UB_23      -0.01723
_diffrn_orient_matrix_UB_31      -0.11736
_diffrn_orient_matrix_UB_32      0.00109
_diffrn_orient_matrix_UB_33      -0.00846
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            7208
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_standards_decay_%        -1.55
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.380
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.870
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.179
_exptl_crystal_description       needle
_exptl_crystal_F_000             1220.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.82
_refine_diff_density_min         -0.58
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.214
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         5288
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0239
_refine_ls_shift/esd_max         0.0438
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0333
_reflns_number_observed          5288
_reflns_number_total             6888
_reflns_observed_criterion       3.00
_cod_data_source_file            B821264C.txt
_cod_data_source_block           afc947_Yam_Pt_Rownea_08032
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 86 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1961.3(8)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C36 H26 F12 N6 P2 Pt2 S2 '
_cod_database_code               7001303