Information card for entry 7209720

Structure parameters

• Common name: 2,4-lutidinium pamoate dihydrate
• Formula: C37 H37.36 N2 O7.68
• Calculated formula: C37 H37.354 N2 O7.677
• Title of publication: Hydrate formation in pyridinium pamoate salts
• Authors of publication: Wahl, Helene; Haynes, Delia A.; Roex, Tanya le
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 2450
• a: 10.866 ± 0.0012 Å
• b: 24.737 ± 0.003 Å
• c: 11.8896 ± 0.0013 Å
• α: 90°
• β: 96.584 ± 0.001°
• γ: 90°
• Cell volume: 3174.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No