Information card for entry 7006418

Structure parameters

• Common name: TlPt3 triphenylphosphine cluster
• Formula: C65 H61 F6 O5 P4 Pt3 Tl
• Calculated formula: C65 H61 F6 O5 P4 Pt3 Tl
• SMILES: F[P](F)(F)(F)(F)[F-].[Pt]1234([Pt]56([Pt]1([Tl]25([O]1CCCC1)[O]1CCCC1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C3=O)C6=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C4=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 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.
• Authors of publication: de Silva, Namal; Fry, Charles G.; Dahl, Lawrence F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 8
• Pages of publication: 1051 - 1059
• a: 13.5297 ± 0.0015 Å
• b: 14.7786 ± 0.0017 Å
• c: 16.4101 ± 0.0018 Å
• α: 89.065 ± 0.002°
• β: 74.643 ± 0.002°
• γ: 84.216 ± 0.002°
• Cell volume: 3147.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No