Information card for entry 2221422

Structure parameters

• Chemical name: [Oxalylbis(azanediyl)]bis{[amino(2-pyridyl)methylene]ammonium}
• Formula: C14 H16 Cl2 N8 O10
• Calculated formula: C14 H16 Cl2 N8 O10
• SMILES: c1(ccccn1)C(N)=[NH+]NC(=O)C(=O)N[NH+]=C(N)c1ccccn1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: [Oxalylbis(azanediyl)]bis{[amino(2-pyridyl)methylene]ammonium}
• Authors of publication: Bi, Wen-Tao; Hu, Nai-Liang; Bi, Jian-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o782
• a: 5.0751 ± 0.0011 Å
• b: 13.725 ± 0.003 Å
• c: 15.162 ± 0.003 Å
• α: 90°
• β: 98.605 ± 0.003°
• γ: 90°
• Cell volume: 1044.2 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes