Information card for entry 4076290

Structure parameters

• Formula: C10 H10 B N
• Calculated formula: C10 H10 B N
• Title of publication: 1,2-Azaboratabenzene: A Heterocyclic π-Ligand with an Adjustable Basicity at Nitrogen
• Authors of publication: Pan, Jun; Kampf, Jeff W.; Ashe, Arthur J.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 5626 - 5629
• a: 9.6105 ± 0.0013 Å
• b: 5.526 ± 0.0007 Å
• c: 7.8636 ± 0.001 Å
• α: 90°
• β: 93.682 ± 0.005°
• γ: 90°
• Cell volume: 416.76 ± 0.09 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: 0.0791
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No