Information card for entry 2228694

Structure parameters

• Chemical name: Di-μ-aqua-bis{triaqua[5-(1-oxopyridin-4-yl)tetrazol-1-ido]sodium}
• Formula: C12 H24 N10 Na2 O10
• Calculated formula: C12 H24 N10 Na2 O10
• SMILES: [Na]1([O]=n2ccc(cc2)c2[n-]nnn2)([OH2])([OH2])([OH2])[OH2][Na]([O]=n2ccc(cc2)c2[n-]nnn2)([OH2])([OH2])([OH2])[OH2]1
• Title of publication: Di-μ-aqua-bis{triaqua[5-(1-oxopyridin-4-yl)tetrazol-1-ido]sodium}
• Authors of publication: Dai, Jing; Chen, Xin-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m111
• a: 6.887 ± 0.002 Å
• b: 7.52 ± 0.0015 Å
• c: 12.258 ± 0.005 Å
• α: 78.16 ± 0.04°
• β: 83.42 ± 0.04°
• γ: 66.68 ± 0.03°
• Cell volume: 570.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes