Information card for entry 2216480

Structure parameters

• Chemical name: catena-poly[μ-5,5'-iminoditetrazolato-κ^3^N,N':N''-bis[triaquazinc(II)] bis[[triaquazinc(II)]-μ-5,5'-iminoditetrazolato-κ^3^N,N':N''] dihydrate]
• Formula: C8 H32 N36 O14 Zn4
• Calculated formula: C8 H32 N36 O14 Zn4
• SMILES: [Zn]1([OH2])([OH2])([OH2])n2nnnc2Nc2[n]1nnn2[Zn]1([OH2])([OH2])([OH2])n2nnnc2Nc2n1nnn2.[Zn]12([OH2])([OH2])([OH2])n3nnnc3Nc3[n]1n(nn3)[Zn]1(n3nnnc3Nc3[n]1n2nn3)([OH2])([OH2])[OH2].O.O
• Title of publication: <i>catena</i>-Poly[[μ-5,5'-iminoditetrazolato-κ^3^<i>N</i>,<i>N</i>':<i>N</i>''-bis[triaquazinc(II)]] bis[[triaquazinc(II)]-μ-5,5'-iminoditetrazolato-κ^3^<i>N</i>,<i>N</i>':<i>N</i>''] dihydrate]
• Authors of publication: Liu, Zhao-Qing; Dong, Wen; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2943 - m2944
• a: 10.1201 ± 0.0001 Å
• b: 23.7418 ± 0.0003 Å
• c: 7.3346 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1762.28 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes