Information card for entry 7007994

Structure parameters

• Formula: C21 H35 I N O P Pt
• Calculated formula: C21 H35 I N O P Pt
• SMILES: [Pd](I)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])CC#N
• Title of publication: Oxidative addition of iodo-acetonitrile and of elemental halogens to [Pt3(mu-CO)3(PCy3)3].
• Authors of publication: Béni, Zoltán; Ros, Renzo; Tassan, Augusto; Scopelliti, Rosario; Roulet, Raymond
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 315 - 325
• a: 9.502 ± 0.003 Å
• b: 12.714 ± 0.004 Å
• c: 18.871 ± 0.002 Å
• α: 90°
• β: 91.247 ± 0.018°
• γ: 90°
• Cell volume: 2279.2 ± 1 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No