Information card for entry 2203363

Structure parameters

• Chemical name: Pentacyanoferrate(III)-μ-cyano-triaquatetrakis- (dimethylformamide)gadolinium(III) hydrate
• Formula: C18 H36 Fe Gd N10 O8
• Calculated formula: C18 H36 Fe Gd N10 O8
• SMILES: [Gd]([N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([OH2])([OH2])[OH2].O
• Title of publication: Pentacyanoferrate(III)-μ-cyano-[triaquatetrakis(dimethylformamide)gadolinium(III)] monohydrate
• Authors of publication: Jian-Rong Li; Li-Zhen Cai; Guo-Cong Guo; Xian-He Bu; Jin-Shun Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m259 - m261
• a: 13.9921 ± 0.0001 Å
• b: 8.903 ± 0.0001 Å
• c: 24.9658 ± 0.0003 Å
• α: 90°
• β: 96.259 ± 0.001°
• γ: 90°
• Cell volume: 3091.49 ± 0.06 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes