Information card for entry 4324043

Structure parameters

• Formula: C12 H15 B N2
• Calculated formula: C12 H15 B N2
• SMILES: c1(ccccn1)[B](c1[nH+]cccc1)(C)C
• Title of publication: Derivatives of the Dimethylbis(2-pyridyl)borate(1-) Ion: Synthesis and Structure
• Authors of publication: Thomas G. Hodgkins; Douglas R. Powell
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 2140 - 2148
• a: 8.836 ± 0.002 Å
• b: 7.1825 ± 0.0005 Å
• c: 9.2789 ± 0.0011 Å
• α: 90°
• β: 99.812 ± 0.015°
• γ: 90°
• Cell volume: 580.27 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.1126
• Weighted residual factors for significantly intense reflections: 0.1062
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No