Information card for entry 7011699

Structure parameters

• Formula: C42 H30 F6 O2 P2 Pt2
• Calculated formula: C42 H30 F6 O2 P2 Pt2
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(C#[O])[C]([Pt]2(C#[O])[P](c3ccccc3)(c3ccccc3)c3ccccc3)(=[C]21C(F)(F)F)C(F)(F)F
• 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: 14.81 ± 0.003 Å
• b: 15.703 ± 0.003 Å
• c: 18.227 ± 0.004 Å
• α: 78.32 ± 0.03°
• β: 77.49 ± 0.03°
• γ: 88.93 ± 0.03°
• Cell volume: 4051.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for all reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0434
• Goodness-of-fit parameter for all reflections: 2.644
• Goodness-of-fit parameter for significantly intense reflections: 2.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No