Information card for entry 4331379

Structure parameters

• Common name: triethylaminemonochloroborane
• Formula: C6 H17 B Cl N
• Calculated formula: C6 H17 B Cl N
• SMILES: Cl[BH2][N](CC)(CC)CC
• Title of publication: New Syntheses and Structural Characterization of NH3BH2Cl and (BH2NH2)3 and Thermal Decomposition Behavior of NH3BH2Cl
• Authors of publication: Hima K. Lingam; Cong Wang; Judith C. Gallucci; Xuenian Chen; Sheldon G. Shore
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13430 - 13436
• a: 6.1671 ± 0.0012 Å
• b: 10.707 ± 0.002 Å
• c: 7.1427 ± 0.0014 Å
• α: 90°
• β: 113.24 ± 0.03°
• γ: 90°
• Cell volume: 433.37 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No