Information card for entry 4322087

Structure parameters

• Formula: C18 H42 Cl4 Li4 N6
• Calculated formula: C18 H42 Cl4 Li4 N6
• SMILES: [Cl]1[Li]2([Cl]3[Li]1([Cl]1[Li]4([Cl][Li]31[NH]1CCC1)[NH2]CCC[N]14CCC1)[NH]1CCC1)[NH2]CCC[N]12CCC1
• Title of publication: An "Open Cube" Lithium Chloride Tetramer Containing Azetidine Ligands
• Authors of publication: Alexander Jockisch; Hubert Schmidbaur
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3014 - 3016
• a: 18.2688 ± 0.0008 Å
• b: 7.0112 ± 0.0004 Å
• c: 22.6479 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2900.9 ± 0.2 ų
• Cell temperature: 196 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.1015
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No