Information card for entry 4069144

Structure parameters

• Common name: BSWV014_5
• Chemical name: BSWV014_5
• Formula: C17 H30 N2 Pt
• Calculated formula: C17 H30 N2 Pt
• SMILES: [Pt]12([N](Cc3c2c(ccc3)C[N]1(CC)CC)(CC)CC)C
• Title of publication: Reversible Carbonylation of an [NCN]PtMe Pincer Complex and Direct Evidence of Alkyl Migration
• Authors of publication: Scheuermann, Margaret L.; Rheingold, Arnold L.; Williams, B. Scott
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1613
• a: 24.3432 ± 0.0005 Å
• b: 10.3495 ± 0.0005 Å
• c: 27.6545 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6967.3 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• 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: 0.1064
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No