Information card for entry 4063609

Structure parameters

• Formula: C8 H8 B N
• Calculated formula: C8 H8 B N
• 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: 7.98 ± 0.003 Å
• b: 5.813 ± 0.003 Å
• c: 8.245 ± 0.004 Å
• α: 90°
• β: 114.745 ± 0.006°
• γ: 90°
• Cell volume: 347.3 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No