Information card for entry 7010422

Structure parameters

• Formula: C40 H74 N4 Na2 O10 Si2
• Calculated formula: C40 H74 N4 Na2 O10 Si2
• SMILES: c1[n]2c(N([Na]32[n]2ccccc2N3[Si](C)(C)C)[Si](C)(C)C)ccc1.C1C[O]2CC[O]3CC[O]4CC[O]1[Na]156234([O]2CC[O]1CC[O]6CC[O]5CC2)[O]1CCCC1.C1CCCO1
• Title of publication: Cation-induced structural variations in the alkali metal derivatives of 2-trimethylsilylaminopyridine: synthesis and X-ray structures of complexes for all five metals Li‒Cs with 12-crown-4 †
• Authors of publication: Liddle, Stephen T.; Clegg, William
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 402
• a: 13.3161 ± 0.0005 Å
• b: 22.3535 ± 0.0008 Å
• c: 17.0658 ± 0.0006 Å
• α: 90°
• β: 106.458 ± 0.002°
• γ: 90°
• Cell volume: 4871.7 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No