Information card for entry 2015912

Structure parameters

• Chemical name: bis(adeninium) phthalate phthalic acid 1.45-hydrate
• Formula: C26 H24.91 N10 O9.45
• Calculated formula: C26 H24.908 N10 O9.454
• Title of publication: Supramolecular hydrogen-bonding networks in bis(adeninium) phthalate phthalic acid 1.45-hydrate
• Authors of publication: Sridhar, Balasubramanian; Ravikumar, Krishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o212 - o214
• a: 7.01 ± 0.0005 Å
• b: 33.052 ± 0.002 Å
• c: 24.2496 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5618.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes