Information card for entry 4083833

Structure parameters

• Formula: C13 H16 B Cr N O3 Sn
• Calculated formula: C13 H16 B Cr N O3 Sn
• SMILES: [B]123[N]4([Cr]561([Sn](C)(C)C)(C4[CH]5=[CH]26)(C#[O])(C#[O])C#[O])C=CC=C3
• Title of publication: Haptotropic Migration from the Six- to the Five-Membered Ring of (3a,7a-Azaborindenyl)tricarbonylchromium Anion
• Authors of publication: Pan, Jun; Wang, Jia; Banaszak Holl, Mark M.; Kampf, Jeff W.; Ashe, Arthur J.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 14
• Pages of publication: 3463
• a: 17.603 ± 0.004 Å
• b: 6.8267 ± 0.0016 Å
• c: 14.229 ± 0.003 Å
• α: 90°
• β: 113.281 ± 0.003°
• γ: 90°
• Cell volume: 1570.7 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0255
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No