Information card for entry 4077126

Structure parameters

• Formula: C29 H43 Cl P2 Pt
• Calculated formula: C29 H43 Cl P2 Pt
• SMILES: [Pt](C=CC1C(=C1c1ccccc1)c1ccccc1)(Cl)([P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: Rearrangement of a σ-2-(Cycloprop-2-enyl)vinyl- to an η3-Cyclopentadienylplatinum(II) Complex. Selective Protonolysis of the Platinum−Methyl Bond
• Authors of publication: Jacob, Volker; Weakley, Timothy J. R.; Haley, Michael M.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 5394
• a: 10.4228 ± 0.0016 Å
• b: 14.4761 ± 0.0019 Å
• c: 20.385 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3075.7 ± 0.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.028
• Goodness-of-fit parameter for all reflections: 1.39
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No