Information card for entry 2227840

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[tetraaquairon(II)]-μ-5,5'-diazenediylditetrazolido] dihydrate]
• Formula: C2 H12 Fe N10 O6
• Calculated formula: C2 H12 Fe N10 O6
• SMILES: [Fe]([OH2])([OH2])([OH2])([OH2])(n1nnnc1N=Nc1[n-]nnn1)n1nnnc1N=Nc1n(nnn1)[Fe]([OH2])([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[tetraaquairon(II)]-μ-5,5'-diazenediylditetrazolido] dihydrate]
• Authors of publication: Jiao, Bao-juan; Yan, Zhi-jun; Fan, Guang; Chen, San-ping; Gao, Sheng-li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1374
• a: 6.2449 ± 0.0005 Å
• b: 6.9764 ± 0.0006 Å
• c: 7.8256 ± 0.0006 Å
• α: 76.424 ± 0.001°
• β: 74.135 ± 0.001°
• γ: 69.844 ± 0.001°
• Cell volume: 304.11 ± 0.04 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes