Information card for entry 4321807

Structure parameters

• Formula: C4 H11 B N2
• Calculated formula: C4 H11 B N2
• SMILES: [BH2]([N]#[C])[N](C)(C)C
• Title of publication: The Synthesis, X-ray Crystal Structure, and Molecular Structure of Rhenium Tetra-carbonylbromidetrimethylamineisocyanoborane
• Authors of publication: Wendy C. Andersen; Daniel R. Mitchell; Kenneth J. H. Young; Xianhui Bu; Vincent M. Lynch; Hermann A. Mayer; William C. Kaska
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1024 - 1027
• a: 5.579 ± 0.001 Å
• b: 13.918 ± 0.001 Å
• c: 18.737 ± 0.002 Å
• α: 111.41°
• β: 96.55 ± 0.01°
• γ: 91.12 ± 0.01°
• Cell volume: 1342.7 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.3054
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for all reflections: 0.19
• Weighted residual factors for significantly intense reflections: 0.1146
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.374
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No