Information card for entry 4069838

Structure parameters

• Formula: C28 H28 O Pt
• Calculated formula: C28 H28 O Pt
• SMILES: [Pt]1234(/C=C\C5C(=C5c5ccccc5)c5ccccc5)(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Platinabenzenes: Synthesis, Properties, and Reactivity Studies of a Rare Class of Metalla-aromatics†
• Authors of publication: Jacob, Volker; Landorf, Christopher W.; Zakharov, Lev N.; Weakley, Timothy J. R.; Haley, Michael M.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5183
• a: 15.981 ± 0.003 Å
• b: 8.1257 ± 0.0011 Å
• c: 18.673 ± 0.006 Å
• α: 90°
• β: 98.35 ± 0.02°
• γ: 90°
• Cell volume: 2399.1 ± 1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections: 1.29
• Goodness-of-fit parameter for all reflections included in the refinement: 1.78
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No