Information card for entry 7223720

Structure parameters

• Chemical name: naphthalaldehydic acid cesium salt. 1H2O Cs.14.H2O
• Formula: C12 H9 Cs O4
• Calculated formula: C12 H9 Cs O4
• Title of publication: Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts
• Authors of publication: Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 948
• a: 7.852 ± 0.006 Å
• b: 29.89 ± 0.02 Å
• c: 4.998 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1173 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No