Information card for entry 2004898

Structure parameters

• Formula: C12 H19 Li N2 O4
• Calculated formula: C12 H19 Li N2 O4
• SMILES: [Li]1([OH]c2ccccc2O1)([O]=CN(C)C)[O]=CN(C)C
• Title of publication: Bis(<i>N</i>,<i>N</i>-dimethylformamide)(pyrocatecholato-<i>O</i>,<i>O</i>')lithium
• Authors of publication: Näther, C.; John, A.; Ruppert, K.; Bock, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1166 - 1168
• a: 8.215 ± 0.001 Å
• b: 17.387 ± 0.002 Å
• c: 10.042 ± 0.001 Å
• α: 90°
• β: 101.92 ± 0.01°
• γ: 90°
• Cell volume: 1403.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.101
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.0788
• Goodness-of-fit parameter for all reflections: 0.974
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No