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_7001304
_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_moiety         'C42 H34 F12 N12 P2 Pt2 S2'
_chemical_formula_sum            'C42 H34 F12 N12 P2 Pt2 S2'
_chemical_formula_weight         1451.04
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Sat Feb 1 02:32:45 2009'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 108.09(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.784(3)
_cell_length_b                   22.003(2)
_cell_length_c                   17.103(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    301.2
_cell_measurement_theta_max      38.1
_cell_measurement_theta_min      30.4
_cell_volume                     4930.8(13)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      -0.02071
_diffrn_orient_matrix_UB_12      0.00749
_diffrn_orient_matrix_UB_13      -0.06063
_diffrn_orient_matrix_UB_21      0.00353
_diffrn_orient_matrix_UB_22      0.04483
_diffrn_orient_matrix_UB_23      0.01013
_diffrn_orient_matrix_UB_31      0.07338
_diffrn_orient_matrix_UB_32      -0.00005
_diffrn_orient_matrix_UB_33      0.00227
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9320
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_standards_decay_%        -3.37
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.887
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.846
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            red
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_exptl_crystal_description       prism
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_exptl_crystal_size_mid          0.100
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_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.594
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     639
_refine_ls_number_reflns         6013
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0342
_refine_ls_shift/esd_max         0.1028
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0419
_reflns_number_observed          6013
_reflns_number_total             8927
_reflns_observed_criterion       3.00
_cod_data_source_file            B821264C.txt
_cod_data_source_block           afc940_Yam-Pt2imnt_Rowena_
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 111 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

'_atom_site_calc_flag' tag was changed to '_atom_site_occupancy'
after examining the values of the tag.

Robertas Stankevi\<c,
2015-03-27
;
_cod_original_cell_volume        4930(1)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C42 H34 F12 N12 P2 Pt2 S2 '
_cod_database_code               7001304