Information card for entry 4320810

Structure parameters

• Formula: C6 H15 I Li N
• Calculated formula: C6 H15 I Li N
• Title of publication: Molecular Lattice Fragment of LiI. Crystal Structure and ab Initio Calculations of [LiI(NEt3)]4
• Authors of publication: C. Doriat; R. Köppe; E. Baum; G. Stösser; H. Köhnlein; H. Schnöckel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1534 - 1537
• a: 13.007 ± 0.002 Å
• b: 13.007 ± 0.002 Å
• c: 11.581 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1959.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for all reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0349
• Goodness-of-fit parameter for all reflections: 1.134
• Goodness-of-fit parameter for significantly intense reflections: 1.133
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No