Information card for entry 4336444

Structure parameters

• Formula: C21 H41 N4 Na
• Calculated formula: C21 H41 N4 Na
• SMILES: [Na]123([N](C)(C)CC[N]3(CC[N]1(C)C)CC[N]2(C)C)Cc1cc(cc(c1)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: 17.9051 ± 0.0011 Å
• b: 8.6147 ± 0.0005 Å
• c: 16.4284 ± 0.001 Å
• α: 90°
• β: 112.51 ± 0.007°
• γ: 90°
• Cell volume: 2341 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No