Information card for entry 1520170

Structure parameters

• Chemical name: Oxxalic Acid & TEMED
• Formula: C8 H22 N2 O6
• Calculated formula: C8 H22 N2 O6
• SMILES: C(=O)([O-])C(=O)[O-].C[NH+](C)CC[NH+](C)C.O.O
• Title of publication: Hemitetramethylethylenediamine hemioxalate hydrate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 491
• a: 7.555 ± 0.0003 Å
• b: 10.918 ± 0.0004 Å
• c: 8.117 ± 0.0002 Å
• α: 90°
• β: 111.565 ± 0.002°
• γ: 90°
• Cell volume: 622.67 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No