Four Thallium(I) Ions Sandwiched by Two Tetraalkynylplatinate ([Pt(C⋮CR)4]2-) Fragments: Synthesis and Luminescent Behavior of Pt2Tl4Species
Berenguer, Jesús R.; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa; Organometallics 20 (2001) 4847–; doi:10.1021/om010554q

data_4077408
_publ_section_title
;
 Four Thallium(I) Ions Sandwiched by Two Tetraalkynylplatinate
 ([Pt(C&#x22EE;CR)4]2-) Fragments:&#x00A0; Synthesis and Luminescent
 Behavior of Pt2Tl4Species
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              4847
_journal_paper_doi               10.1021/om010554q
_journal_volume                  20
_journal_year                    2001
_chemical_formula_sum            'C49 H73 Cl3 Pt2 Tl4'
_chemical_formula_weight         1976.08
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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                81.7860(12)
_cell_angle_beta                 72.8640(14)
_cell_angle_gamma                82.0510(7)
_cell_formula_units_Z            2
_cell_length_a                   12.0190(2)
_cell_length_b                   14.1220(3)
_cell_length_c                   19.2780(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3078.72(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0679
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8745
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         5.12
_exptl_absorpt_coefficient_mu    15.113
_exptl_crystal_density_diffrn    2.132
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1796
_refine_diff_density_max         1.076
_refine_diff_density_min         -0.781
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     578
_refine_ls_number_reflns         8745
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.259
_refine_ls_R_factor_all          0.0881
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          1.547
_refine_ls_shift/su_mean         0.055
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0280P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0806
_refine_ls_wR_factor_ref         0.0907
_reflns_number_gt                6023
_reflns_number_total             8745
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om010554q.cif
_cod_data_source_block           gc33
_cod_original_cell_volume        3078.72(10)
_cod_database_code               4077408