Information card for entry 7011700

Structure parameters

• Formula: C42 H66 F6 O2 P2 Pt2
• Calculated formula: C42 H66 F6 O2 P2 Pt2
• SMILES: [Pt]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)([C]([Pt]2([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)C#[O])(=[C]21C(F)(F)F)C(F)(F)F)C#[O]
• Title of publication: Reaction of triangulo-clusters [Pt3(μ-CO)3(PR3)3] with hexafluorobutyne. The X-ray crystal structures of [Pt2(CO)2(PR3)2(μ-η2:η2-CF3CCCF3)](PR3= PPh3 or PCy3) and [Pt2(CO)2(PBzPh2)(μ-η1:η1-CF3CCCF3)2]
• Authors of publication: Renzo Ros; Augusto Tassan; Raymond Roulet; Gàbor Laurenczy; Virginie Duprez; Kurt Schenk
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 3565 - 3570
• a: 16.839 ± 0.0011 Å
• b: 15.3101 ± 0.001 Å
• c: 18.6194 ± 0.0012 Å
• α: 90°
• β: 108.481 ± 0.001°
• γ: 90°
• Cell volume: 4552.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for all reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0426
• Goodness-of-fit parameter for all reflections: 1.856
• Goodness-of-fit parameter for significantly intense reflections: 1.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No