Information card for entry 7241572

Structure parameters

• Common name: 4,4-bipyridinium bis(hydrogen oxalate)
• Formula: C14 H12 N2 O8
• Calculated formula: C14 H12 N2 O8
• Title of publication: Crystallisation of organic salts by sublimation: salt formation from the gas phase
• Authors of publication: Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 45
• Pages of publication: 7826 - 7831
• a: 3.7614 ± 0.0003 Å
• b: 9.8932 ± 0.0007 Å
• c: 10.4498 ± 0.0007 Å
• α: 116.121 ± 0.001°
• β: 96.721 ± 0.001°
• γ: 98.409 ± 0.001°
• Cell volume: 338.11 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No