Information card for entry 4334461

Structure parameters

• Formula: C84 H102 N2 O16 P2 Pt9
• Calculated formula: C84 H102 N2 O16 P2 Pt9
• SMILES: [Pt]1234([Pt]56([Pt]1([Pt]1789([Pt]%10%112([Pt]51([Pt]125([Pt]%12%10([Pt]71(C5=O)(C#[O])C%12=O)(C2=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])(C%11=O)(C#[O])C8=O)(C#[O])C9=O)C#[O])(C3=O)(C#[O])C6=O)(C#[O])C4=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: PPh3-Derivatives of [Pt3n(CO)6n]2- (n= 2-6) Chini's Clusters: Syntheses, Structures, and 31P NMR Studies
• Authors of publication: Iacopo Ciabatti; Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Tatiana Lovato; Stefano Zacchini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4384 - 4395
• a: 15.243 ± 0.001 Å
• b: 24.5212 ± 0.0016 Å
• c: 24.55 ± 0.0016 Å
• α: 90°
• β: 102.778 ± 0.001°
• γ: 90°
• Cell volume: 8949 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1039
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No