Information card for entry 4069839

Structure parameters

• Formula: C30 H28 Mo O3 Pt
• Calculated formula: C30 H28 Mo O3 Pt
• SMILES: [Pt]123456([Mo]789%10([CH]1=[CH]7[CH]8=[C]9(C2%10c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])[c]1([c]6([c]5([c]4([c]31C)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: 14.384 ± 0.006 Å
• b: 11.007 ± 0.004 Å
• c: 18.438 ± 0.007 Å
• α: 90°
• β: 112.623 ± 0.009°
• γ: 90°
• Cell volume: 2694.6 ± 1.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.1445
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No