Phosphine-ligated induced formation of thallium(I) full Pt3TlPt3 sandwich versus "open-face" TlPt3 sandwich with triangular Pt3(mu2-CO)3(PR3)3 units: synthesis and structural/spectroscopic analysis of triphenylphosphine [(mu3-Tl)Pt3(mu2-CO)3(PPh3)3]+ and its (mu3-AuPPh3)Pt3 analogue.
de Silva, Namal; Fry, Charles G.; Dahl, Lawrence F.; Dalton transactions (Cambridge, England : 2003)  (2006) 1051–1059; doi:10.1039/b510373h

data_7006418
_publ_section_title
;
 Phosphine-ligated induced formation of thallium(I) full Pt3TlPt3
 sandwich versus "open-face" TlPt3 sandwich with triangular
 Pt3(mu2-CO)3(PR3)3 units: synthesis and structural/spectroscopic
 analysis of triphenylphosphine [(mu3-Tl)Pt3(mu2-CO)3(PPh3)3]+ and its
 (mu3-AuPPh3)Pt3 analogue.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1051
_journal_page_last               1059
_journal_paper_doi               10.1039/b510373h
_journal_year                    2006
_chemical_formula_moiety         '[TlPt3(CO)3(PPh3)3][PF6].2THF'
_chemical_formula_sum            'C65 H61 F6 O5 P4 Pt3 Tl'
_chemical_formula_weight         1949.66
_chemical_name_common            'TlPt3 triphenylphosphine cluster'
_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                89.065(2)
_cell_angle_beta                 74.643(2)
_cell_angle_gamma                84.216(2)
_cell_formula_units_Z            2
_cell_length_a                   13.5297(15)
_cell_length_b                   14.7786(17)
_cell_length_c                   16.4101(18)
_cell_measurement_temperature    173(2)
_cell_volume                     3147.8(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20213
_diffrn_reflns_theta_full        23.30
_diffrn_reflns_theta_max         23.30
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    9.365
_exptl_crystal_colour            red/orange
_exptl_crystal_density_diffrn    2.057
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.798
_refine_diff_density_min         -2.149
_refine_diff_density_rms         0.291
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     752
_refine_ls_number_reflns         9024
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0344
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0501P)^2^+5.1575P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0853
_refine_ls_wR_factor_ref         0.0981
_reflns_number_gt                7837
_reflns_number_total             9024
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b510373h.txt
_cod_data_source_block           dahl218
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006418