Synthesis, characterization and molecular recognition of a bis-platinum terpyridine dimer.
Trokowski, Robert; Akine, Shigehisa; Nabeshima, Tatsuya; Chemical communications (Cambridge, England)  (2008) 889–890; doi:10.1039/b716459a

data_7102894
_publ_section_title
;
 Synthesis, characterization and molecular recognition of a
 bis-platinum terpyridine dimer.
;
_journal_issue                   7
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              889
_journal_page_last               890
_journal_paper_doi               10.1039/b716459a
_journal_year                    2008
_chemical_formula_moiety         C86H98B4F16N8O13Pt2S6
_chemical_formula_sum            'C86 H98 B4 F16 N8 O13 Pt2 S6'
_chemical_formula_weight         2381.50
_chemical_name_common            C64H44N8Pt2(C10H8O2)(BF4)4(Me2SO)6(H2O)5
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.721(16)
_cell_angle_beta                 91.774(13)
_cell_angle_gamma                101.924(14)
_cell_formula_units_Z            1
_cell_length_a                   10.382(4)
_cell_length_b                   17.061(7)
_cell_length_c                   18.049(7)
_cell_measurement_reflns_used    22301
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.01
_cell_volume                     2816.3(19)
_computing_cell_refinement       'Rapid AUTO (Rigaku Corp.)'
_computing_data_collection       'Rapid AUTO (Rigaku Corp.)'
_computing_data_reduction        'Rapid AUTO (Rigaku Corp.)'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  ORTEP-3
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku R-AXIS Rapid'
_diffrn_measurement_method       IP
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1062
_diffrn_reflns_av_sigmaI/netI    0.1335
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22301
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.673
_exptl_absorpt_correction_T_max  0.8780
_exptl_absorpt_correction_T_min  0.3484
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Rapid AUTO (Rigaku Corp.)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1190
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.602
_refine_diff_density_min         -2.066
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     616
_refine_ls_number_reflns         9888
_refine_ls_number_restraints     79
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1060
_refine_ls_R_factor_gt           0.0796
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1873
_refine_ls_wR_factor_ref         0.2052
_reflns_number_gt                6661
_reflns_number_total             9888
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b716459a.txt
_cod_data_source_block           1naphthalene26diol
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7102894