Information card for entry 4074642

Structure parameters

• Formula: C13 H10 B Cr N O3
• Calculated formula: C13 H10 B Cr N O3
• SMILES: N1B(C=CC=C1)[c]12[Cr]3456([cH]1[cH]3[cH]4[cH]5[cH]26)(C#[O])(C#[O])C#[O]
• Title of publication: Switchable Haptotropic Migrations of Tricarbonylchromium Complexes of 1,2-Dihydro-2-phenyl-1,2-azaborine
• Authors of publication: Pan, Jun; Kampf, Jeff W.; Ashe, Arthur J.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 1
• Pages of publication: 197
• a: 9.9188 ± 0.0015 Å
• b: 17.33 ± 0.003 Å
• c: 7.2858 ± 0.0011 Å
• α: 90°
• β: 90.348 ± 0.003°
• γ: 90°
• Cell volume: 1252.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1347
• 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