Information card for entry 4063607

Structure parameters

• Formula: C17 H12 B Cr N O3
• Calculated formula: C17 H12 B Cr N O3
• SMILES: N1c2ccccc2C=CB1[c]12[Cr]3456([cH]1[cH]3[cH]4[cH]5[cH]26)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonylchromium Complexes of 1,2-Dihydro-1,2-benzazaborines
• Authors of publication: Pan, Jun; Kampf, Jeff W.; Ashe, Arthur J.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 506 - 511
• a: 11.8163 ± 0.0016 Å
• b: 10.9188 ± 0.0014 Å
• c: 12.0946 ± 0.0016 Å
• α: 90°
• β: 104.151 ± 0.002°
• γ: 90°
• Cell volume: 1513.1 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No