Information card for entry 7030914

Structure parameters

• Formula: C63 H57 F6 N3 P Pt3 S3 Tl
• Calculated formula: C63 H57 F5.96 N3 P Pt3 S3 Tl
• Title of publication: Preparation of Pt-Tl clusters showing new geometries. X-ray, NMR and luminescence studies.
• Authors of publication: Belío, Ursula; Fuertes, Sara; Martín, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 10828 - 10843
• a: 15.6681 ± 0.0008 Å
• b: 15.6681 ± 0.0008 Å
• c: 13.2867 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2824.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No