Information card for entry 7010425

Structure parameters

• Formula: C52 H84 Cs4 N8 O16
• Calculated formula: C52 H84 Cs4 N8 O16
• SMILES: c1cccc(n1)[NH-].[Cs]123[O]4CC[O]1CC[O]2CC[O]3CC4
• 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: 10.7464 ± 0.0007 Å
• b: 11.5129 ± 0.0007 Å
• c: 13.734 ± 0.0008 Å
• α: 93.177 ± 0.002°
• β: 111.692 ± 0.002°
• γ: 93.177 ± 0.002°
• Cell volume: 1571.16 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.693 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No