Syntheses, Luminescence Behavior, and Assembly Reaction of Tetraalkynylplatinate(II) Complexes: Crystal Structures of [Pt(tBu3trpy)(C\τbCC5H4N)Pt(tBu3trpy)](PF6)3 and [Pt2Ag4(C\τbCC\τbCC6H4CH3-4)8(THF)4]
Vivian Wing-Wah Yam; Chi-Kuen Hui; Shu-Yan Yu; Nianyong Zhu; Inorganic Chemistry 43 (2004) 812–821; doi:10.1021/ic034877l

data_4310423
_publ_section_title
;
 Syntheses, Luminescence Behavior, and Assembly Reaction of
 Tetraalkynylplatinate(II) Complexes: Crystal Structures of
 [Pt(tBu3trpy)(C\\tbCC5H4N)Pt(tBu3trpy)](PF6)3 and
 [Pt2Ag4(C\\tbCC\\tbCC6H4CH3-4)8(THF)4]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              812
_journal_page_last               821
_journal_paper_doi               10.1021/ic034877l
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C71 H94 Cl10 F18 N7 P3 Pt2'
_chemical_formula_sum            'C71 H94 Cl10 F18 N7 P3 Pt2'
_chemical_formula_weight         2225.12
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                62.07(3)
_cell_angle_beta                 81.59(3)
_cell_angle_gamma                76.24(3)
_cell_formula_units_Z            2
_cell_length_a                   13.514(3)
_cell_length_b                   20.006(4)
_cell_length_c                   20.297(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     4705(2)
_computing_cell_refinement       Scalepack
_computing_data_collection       MarControl
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.695
_diffrn_measured_fraction_theta_max 0.695
_diffrn_measurement_device_type  'Marresearch Imaging Plate mar300'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_sigmaI/netI    0.1104
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18308
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.14
_exptl_absorpt_coefficient_mu    3.381
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2204
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.058
_refine_diff_density_min         -1.277
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.932
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     939
_refine_ls_number_reflns         11984
_refine_ls_number_restraints     150
_refine_ls_restrained_S_all      0.940
_refine_ls_R_factor_all          0.1022
_refine_ls_R_factor_gt           0.0591
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1068P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1603
_refine_ls_wR_factor_ref         0.1814
_reflns_number_gt                7097
_reflns_number_total             11984
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034877lsi20030728_111514_1.cif
_cod_data_source_block           complex4
_cod_original_cell_volume        4705.3(16)
_cod_database_code               4310423