Information card for entry 4336445

Structure parameters

• Formula: C21 H41 K N4
• Calculated formula: C21 H41 K N4
• SMILES: [K]12345678(C9[C]5([CH]4=[C]3([CH]2=[C]19C)C)=C)[N](C)(C)CC[N]8(CC[N]6(C)C)CC[N]7(C)C
• Title of publication: Monomerizing Alkali-Metal 3,5-Dimethylbenzyl Salts with Tris(N,N-dimethyl-2-aminoethyl)amine (Me6TREN): Structural and Bonding Implications
• Authors of publication: David R. Armstrong; Matthew G. Davidson; Daniel Garcia-Vivo; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12023 - 12032
• a: 14.6238 ± 0.0011 Å
• b: 9.8408 ± 0.0005 Å
• c: 16.5207 ± 0.0012 Å
• α: 90°
• β: 91.459 ± 0.008°
• γ: 90°
• Cell volume: 2376.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.2625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No