Information card for entry 4077124

Structure parameters

• Formula: C30 H46 P2 Pt
• Calculated formula: C30 H46 P2 Pt
• SMILES: [Pt](C=CC1C(=C1c1ccccc1)c1ccccc1)([P](CC)(CC)CC)([P](CC)(CC)CC)C
• 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: 9.466 ± 0.002 Å
• b: 16.583 ± 0.002 Å
• c: 9.866 ± 0.002 Å
• α: 90°
• β: 92.97 ± 0.02°
• γ: 90°
• Cell volume: 1546.6 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections: 1.27
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No