Information card for entry 7201276

Structure parameters

• Formula: C45 H93 Cs3 O33
• Calculated formula: C45 H75 Cs3 O33
• Title of publication: Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour
• Authors of publication: Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1994
• a: 14.669 ± 0.0005 Å
• b: 27.0044 ± 0.0009 Å
• c: 17.2458 ± 0.0004 Å
• α: 90°
• β: 103.86 ± 0.003°
• γ: 90°
• Cell volume: 6632.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1044
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No