Information card for entry 4509711

Structure parameters

• Formula: C14 H8 Li2 O6 S
• Calculated formula: C14 H8 Li2 O6 S
• Title of publication: Synthesis and Structural Characterization of Lithium-Based Metal−Organic Frameworks
• Authors of publication: Banerjee, Debasis; Borkowski, Lauren A.; Kim, Sun Jin; Parise, John B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4922
• a: 5.548 ± 0.0011 Å
• b: 23.45 ± 0.005 Å
• c: 10.32 ± 0.002 Å
• α: 90°
• β: 96.47 ± 0.03°
• γ: 90°
• Cell volume: 1334.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1392
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No