Information card for entry 4069837

Structure parameters

• Formula: C22 H26 Pt
• Calculated formula: C22 H26 Pt
• SMILES: [Pt]12345(=C(C(=CC=C1)C)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)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: 12.194 ± 0.005 Å
• b: 18.709 ± 0.007 Å
• c: 16.94 ± 0.006 Å
• α: 90°
• β: 104.467 ± 0.007°
• γ: 90°
• Cell volume: 3742 ± 2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• 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: 0.0902
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No