Information card for entry 4306985

Structure parameters

• Common name: [K(18-crown-6)][Fe(TMP)(CN)2]
• Formula: C230.4 H270.6 Fe3 K3 N18 O24
• Calculated formula: C230.4 H266.8 Fe3 K3 N18 O24
• Title of publication: New Insights on the Electronic and Molecular Structure of Cyanide-Ligated Iron(III) Porphyrinates
• Authors of publication: Jianfeng Li; Bruce C. Noll; Charles E. Schulz; W. Robert Scheidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2286 - 2298
• a: 23.0103 ± 0.0009 Å
• b: 20.1843 ± 0.0008 Å
• c: 46.1854 ± 0.0018 Å
• α: 90°
• β: 98.535 ± 0.002°
• γ: 90°
• Cell volume: 21213.1 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0992
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No