Information card for entry 2007663

Structure parameters

• Common name: Octakis(dimethylsulfoxide-O)gadolinium(III) hexacyanoferrate(III)
• Formula: C22 H48 Fe Gd N6 O8 S8
• Calculated formula: C22 H48 Fe Gd N6 O8 S8
• SMILES: C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.CS(C)=[O][Gd]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C
• Title of publication: Octakis(dimethyl sulfoxide-<i>O</i>)gadolinium(III) Hexacyanoferrate(III)
• Authors of publication: Martti Klinga; Rafael Cuesta; José María Moreno; José Manuel Dominguez-Vera; Enrique Colacio; Raikko Kivekäs
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1275 - 1277
• a: 9.92 ± 0.002 Å
• b: 10.631 ± 0.002 Å
• c: 19.413 ± 0.004 Å
• α: 90°
• β: 92.35 ± 0.03°
• γ: 90°
• Cell volume: 2045.6 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.116
• Goodness-of-fit parameter for all reflections: 1.169
• Goodness-of-fit parameter for significantly intense reflections: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No