Information card for entry 7007996

Structure parameters

• Formula: C38 H70 Cl4 I4 P2 Pt2
• Calculated formula: C38 H70 Cl4 I4 P2 Pt2
• SMILES: C1(CCCCC1)[P](C1CCCCC1)([Pt]1(I)[I][Pt]([I]1)(I)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C1CCCCC1.C(Cl)Cl.C(Cl)Cl
• 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: 10.04 ± 0.003 Å
• b: 10.192 ± 0.003 Å
• c: 13.542 ± 0.003 Å
• α: 86.73 ± 0.02°
• β: 74.46 ± 0.03°
• γ: 63.32 ± 0.03°
• Cell volume: 1189.7 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2606
• Weighted residual factors for all reflections included in the refinement: 0.2838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No