Information card for entry 2241114

Structure parameters

• Chemical name: {[(Dimethylamino)methyl]dimethylamine}trihydridoboron
• Formula: C5 H17 B N2
• Calculated formula: C5 H17 B N2
• SMILES: [N](CN(C)C)(C)(C)[BH3]
• Title of publication: Crystal structure of borated <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiaminomethane
• Authors of publication: Louven, Kathrin; Quentin, Georgina; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o743 - o744
• a: 6.0464 ± 0.0008 Å
• b: 7.6987 ± 0.0009 Å
• c: 9.5896 ± 0.0011 Å
• α: 69.602 ± 0.01°
• β: 76.519 ± 0.011°
• γ: 74.912 ± 0.01°
• Cell volume: 398.94 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes