Information card for entry 4073542

Structure parameters

• Formula: C18 H31 Cl5 N2 Pt
• Calculated formula: C18 H31 Cl5 N2 Pt
• SMILES: [Pt]12(Cl)([CH2]=[CH]1CCC2Cc1n(cc[n+]1C(C)(C)C)C(C)(C)C)Cl.ClC(Cl)Cl
• Title of publication: Insertion of a N-Heterocyclic Carbene (NHC) into a Platinum−Olefin Bond
• Authors of publication: Fantasia, Serena; Jacobsen, Heiko; Cavallo, Luigi; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3286
• a: 11.8474 ± 0.0006 Å
• b: 16.9853 ± 0.0008 Å
• c: 23.2002 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4668.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No