Information card for entry 4338387

Structure parameters

• Formula: C25 H16 Li4 N4 O8 S2
• Calculated formula: C25 H16 Li4 N4 O8 S2
• Title of publication: Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.
• Authors of publication: Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4956 - 4969
• a: 5.2038 ± 0.0014 Å
• b: 14.516 ± 0.007 Å
• c: 10.295 ± 0.005 Å
• α: 90°
• β: 96.14 ± 0.04°
• γ: 90°
• Cell volume: 773.2 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3314
• Residual factor for significantly intense reflections: 0.2788
• Weighted residual factors for significantly intense reflections: 0.5817
• Weighted residual factors for all reflections included in the refinement: 0.6205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.743
• Diffraction radiation wavelength: 1.541 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No