Information card for entry 2205357

Structure parameters

• Chemical name: Bis(2-pyridylmethyl)amine‒borane
• Formula: C12 H16 B N3
• Calculated formula: C12 H16 B N3
• SMILES: n1ccccc1C[NH](Cc1ccccn1)[BH3]
• Title of publication: Bis(2-pyridylmethyl)amine‒borane
• Authors of publication: Ballester Sanchez, Noelia; Barreira Fontecha, Julia; Wikaira, Jan; McKee, Vickie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o567 - o568
• a: 5.3172 ± 0.0004 Å
• b: 24.8494 ± 0.0019 Å
• c: 9.3896 ± 0.0007 Å
• α: 90°
• β: 102.938 ± 0.001°
• γ: 90°
• Cell volume: 1209.14 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes