Information card for entry 2222192

Structure parameters

• Chemical name: <i>catena</i>-Poly[potassium(I)-di-μ-aqua-μ-4-(5-tetrazolio)pyridine]
• Formula: C6 H8 K N5 O2
• Calculated formula: C6 H8 K N5 O2
• SMILES: c1cc(c2[n-]nnn2)ccn1.[K+].O.O
• Title of publication: <i>catena</i>-Poly[potassium-di-μ-aqua-μ-4-(5-tetrazolio)pyridine]
• Authors of publication: Cui, Li-Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m671
• a: 12.361 ± 0.003 Å
• b: 12.281 ± 0.003 Å
• c: 7.3431 ± 0.0015 Å
• α: 90°
• β: 117.25 ± 0.03°
• γ: 90°
• Cell volume: 991 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes