Information card for entry 4119360

Structure parameters

• Formula: C2 H9 B K N
• Calculated formula: C2 H9 B K N
• SMILES: [K+].[BH3]N(C)C
• Title of publication: Homopolar Dihydrogen Bonding in Alkali Metal Amidoboranes: Crystal Engineering of Low-Dimensional Molecular Materials
• Authors of publication: David J. Wolstenholme; Jenna Flogeras; Franklin N. Che; Andreas Decken; G. Sean McGrady
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 2439 - 2442
• a: 10.959 ± 0.003 Å
• b: 5.4585 ± 0.0017 Å
• c: 9.588 ± 0.003 Å
• α: 90°
• β: 95.985 ± 0.004°
• γ: 90°
• Cell volume: 570.4 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• 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: 0.0519
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No