Information card for entry 2229779

Structure parameters

• Chemical name: Poly[μ-(5,5'-diazenediylditetrazolido)-dicaesium]
• Formula: C2 Cs2 N10
• Calculated formula: C2 Cs2 N10
• SMILES: [Cs+].[n-]1nc(nn1)/N=N/c1[n-]nnn1.[Cs+]
• Title of publication: Poly[μ-(5,5'-diazenediylditetrazolido)-dicaesium]
• Authors of publication: Meng, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m453
• a: 4.4393 ± 0.0009 Å
• b: 8.7151 ± 0.0017 Å
• c: 11.86 ± 0.002 Å
• α: 90°
• β: 93.83 ± 0.03°
• γ: 90°
• Cell volume: 457.83 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0374
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes