Information card for entry 2201319

Structure parameters

• Chemical name: Pentacyanoiron-m-cyano-triaquatetrakis(dimethylformamide)europium hydrate
• Formula: C18 H36 Eu Fe N10 O8
• Calculated formula: C18 H28 Eu Fe N10 O8
• SMILES: [Eu]([N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N)([OH2])([OH2])([OH2])([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.O
• Title of publication: Pentacyanoferrate(III)-μ-cyano-triaquatetrakis(dimethylformamide)europium(III) hydrate
• Authors of publication: Jian-Rong Li; Li-Zhen Cai; Ru-Qiang Zou; Guo-Wei Zhou; Guo-Cong Guo; Xian-He Bu; Jin-Shun Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m686 - m687
• a: 17.633 ± 0.004 Å
• b: 8.8791 ± 0.0018 Å
• c: 19.831 ± 0.004 Å
• α: 90°
• β: 96.12 ± 0.03°
• γ: 90°
• Cell volume: 3087.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes