Information card for entry 7101815

Structure parameters

• Formula: C26 H63.84 Cl2 Cu2 Fe K0.08 N14 O3.92
• Calculated formula: C26 H48 Cl2 Cu2 Fe K0.32 N14 O3.68
• Title of publication: 57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O.
• Authors of publication: Mukhopadhyay, Uday; Grunert, C Matthias; Kusz, Joachim; Reiman, Sergey; Gütlich, P; Bernal, Ivan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 14
• Pages of publication: 1444 - 1446
• a: 9.791 ± 0.002 Å
• b: 14.033 ± 0.005 Å
• c: 14.675 ± 0.002 Å
• α: 90°
• β: 104.16 ± 0.02°
• γ: 90°
• Cell volume: 1955 ± 0.9 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No