Information card for entry 7223719

Structure parameters

• Chemical name: naphthaldic acid potassium salt .1H2O K.14.H2O
• Formula: C12 H9 K O4
• Calculated formula: C12 H9 K 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: 7.3837 ± 0.0004 Å
• b: 30.138 ± 0.002 Å
• c: 4.8965 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1089.62 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0858
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No