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_4077407
_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            'C32.5 H48.5 Cl1.5 Pt1.33 Tl2.67'
_chemical_formula_weight         1297.49
_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                81.880(10)
_cell_angle_beta                 73.271(10)
_cell_angle_gamma                81.826(10)
_cell_formula_units_Z            3
_cell_length_a                   12.0160(10)
_cell_length_b                   13.9410(10)
_cell_length_c                   18.9230(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2988.0(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_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    0.0549
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3506
_diffrn_reflns_theta_full        17.26
_diffrn_reflns_theta_max         17.26
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    15.538
_exptl_crystal_density_diffrn    2.163
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1767
_refine_diff_density_max         1.314
_refine_diff_density_min         -1.017
_refine_diff_density_rms         0.264
_refine_ls_extinction_coef       0.0013(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.754
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         3506
_refine_ls_number_restraints     294
_refine_ls_restrained_S_all      1.677
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0715
_refine_ls_shift/su_max          0.771
_refine_ls_shift/su_mean         0.050
_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          0.2121
_refine_ls_wR_factor_ref         0.2190
_reflns_number_gt                3041
_reflns_number_total             3506
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om010554q.cif
_cod_data_source_block           talio
_cod_original_formula_sum        'C32.50 H48.50 Cl1.50 Pt1.33 Tl2.67'
_cod_database_code               4077407