Information card for entry 7041994

Structure parameters

• Chemical name: 2,3-Dihydroxypyrazine
• Formula: C4 H4 N2 O2
• Calculated formula: C4 H4 N2 O2
• SMILES: C1(=O)C(=O)NC=CN1
• Title of publication: New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives.
• Authors of publication: Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 3014 - 3024
• a: 6.1105 ± 0.0003 Å
• b: 10.2259 ± 0.0005 Å
• c: 6.9669 ± 0.0003 Å
• α: 90°
• β: 93.973 ± 0.002°
• γ: 90°
• Cell volume: 434.28 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.034
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No