Information card for entry 4072168

Structure parameters

• Formula: C54 H44 P2 Pt
• Calculated formula: C54 H44 P2 Pt
• SMILES: [P]([Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C)C#Cc1ccc(cc1)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Chiralcis-Platinum Acetylide Complexes via Diphosphine Ligand Exchange: Effect of the Ligand
• Authors of publication: Sadowy, Amber L.; Ferguson, Michael J.; McDonald, Robert; Tykwinski, Rik R.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6321
• a: 13.6022 ± 0.0008 Å
• b: 8.5341 ± 0.0005 Å
• c: 18.0885 ± 0.0011 Å
• α: 90°
• β: 90.447 ± 0.001°
• γ: 90°
• Cell volume: 2099.7 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No