Information card for entry 7101817

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: 9.7836 ± 0.0018 Å
• b: 13.967 ± 0.005 Å
• c: 14.6155 ± 0.0016 Å
• α: 90°
• β: 104.11 ± 0.02°
• γ: 90°
• Cell volume: 1936.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No