Information card for entry 7201277

Structure parameters

• Formula: C38 H62 Cs2 O18
• Calculated formula: C38 H62 Cs2 O18
• SMILES: c1(ccccc1)C(=O)[O-].C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[Cs]23456.O
• 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: 11.0263 ± 0.0003 Å
• b: 21.5415 ± 0.0005 Å
• c: 10.2369 ± 0.0003 Å
• α: 90°
• β: 97.333 ± 0.002°
• γ: 90°
• Cell volume: 2411.61 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No