Information card for entry 7205325

Structure parameters

• Common name: CROWN ETHER COMPLEX
• Formula: C20 H28 Cs N O12
• Calculated formula: C20 H28 Cs N O12
• Title of publication: Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions
• Authors of publication: Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1366
• a: 8.1755 ± 0.0002 Å
• b: 15.5119 ± 0.0003 Å
• c: 19.1951 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2434.28 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No