Information card for entry 7007997

Structure parameters

• Formula: C40 H70 Cl6 I2 O2 P2 Pt2 Sn
• Calculated formula: C40 H70 Cl6 I2 O2 P2 Pt2 Sn
• SMILES: [Pd](I)([Sn]([Pd](I)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C#[O])(Cl)Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C#[O].ClCCl.ClCCl
• 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: 11.857 ± 0.005 Å
• b: 13.136 ± 0.01 Å
• c: 18.235 ± 0.006 Å
• α: 86.04 ± 0.04°
• β: 81.16 ± 0.03°
• γ: 75.72 ± 0.05°
• Cell volume: 2718 ± 3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1579
• Residual factor for significantly intense reflections: 0.126
• Weighted residual factors for significantly intense reflections: 0.3244
• Weighted residual factors for all reflections included in the refinement: 0.3586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No