Information card for entry 4513082

Structure parameters

• Formula: C18 H24 Li2 N2 O6
• Calculated formula: C18 H24 Li2 N2 O6
• SMILES: c1cc(ccn1)[O-].[Li+].O1CCOCC1
• Title of publication: Charge-Complementary-Ligands Directed Assembly of a Lithium Dimer into a Three-Dimensional Porous Framework
• Authors of publication: Shimazu, Matthew S.; Zhao, Xiang; Huynh, Duc Minh; Bu, Xianhui
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2550
• a: 7.1555 ± 0.0002 Å
• b: 12.4238 ± 0.0003 Å
• c: 11.7575 ± 0.0003 Å
• α: 90°
• β: 91.782 ± 0.001°
• γ: 90°
• Cell volume: 1044.72 ± 0.05 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 5
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No