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_4310424
_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         'C112 H108 Ag4 O6 Pt2'
_chemical_formula_sum            'C112 H108 Ag4 O6 Pt2'
_chemical_formula_weight         2371.64
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.17(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.059(5)
_cell_length_b                   15.965(3)
_cell_length_c                   25.021(5)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     10407(3)
_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      253(2)
_diffrn_measured_fraction_theta_full 0.643
_diffrn_measured_fraction_theta_max 0.643
_diffrn_measurement_device_type  'marresearch IPDS'
_diffrn_measurement_method       Oscillation
_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  0.0543
_diffrn_reflns_av_sigmaI/netI    0.1409
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            13953
_diffrn_reflns_theta_full        25.15
_diffrn_reflns_theta_max         25.15
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    3.466
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4688
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.968
_refine_diff_density_min         -2.200
_refine_diff_density_rms         0.453
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.877
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         6005
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.876
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0570
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0982P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1447
_refine_ls_wR_factor_ref         0.1810
_reflns_number_gt                3034
_reflns_number_total             6005
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034877lsi20030728_111514_2.cif
_cod_data_source_block           complex7
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4310424