Information card for entry 4063608

Structure parameters

• Formula: C12 H10 B Cr N O3
• Calculated formula: C12 H10 B Cr N O3
• SMILES: [Cr]12345([c]67NB(C=C[c]57[cH]4[cH]3[cH]2[cH]16)C)(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: 15.212 ± 0.004 Å
• b: 10.73 ± 0.003 Å
• c: 16.259 ± 0.004 Å
• α: 90°
• β: 112.855 ± 0.004°
• γ: 90°
• Cell volume: 2445.5 ± 1.1 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: 0.0716
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No