Information card for entry 4116600

Structure parameters

• Formula: C26 H59 I K N8 O
• Calculated formula: C26 H60 I K N8 O
• SMILES: [I-].[K]1234567[N]89CC[N]1(C)CC[N]2(C)CC[N]3(CC[N]4(C)CC[N]5(C)CC8)CC[N]7(CC[N]6(CC9)C)C.OCC
• Title of publication: Crystalline Salts of Na-and K-(Alkalides) that Are Stable at Room Temperature
• Authors of publication: Jineun Kim; Andrew S. Ichimura; Rui H. Huang; Mikhail Redko; Richard C. Phillips; James E. Jackson; James L. Dye
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 10666 - 10667
• a: 17.815 ± 0.004 Å
• b: 16.942 ± 0.003 Å
• c: 23.136 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6983 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.1271
• Weighted residual factors for significantly intense reflections: 0.1147
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No