Information card for entry 7054046

Structure parameters

• Common name: [Fe12i(C8)(dmap)2]
• Formula: C49.5 H76 Fe N6 O9.5
• Calculated formula: C49.5 H76 Fe N6 O9.5
• Title of publication: Amphiphilic iron(ii) complexes with short alkyl chains ‒ crystal packing and spin transition properties
• Authors of publication: Schlamp, Stephan; Dankhoff, Katja; Weber, Birgit
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 5
• Pages of publication: 1965
• a: 10.599 ± 0.005 Å
• b: 31.295 ± 0.005 Å
• c: 15.997 ± 0.005 Å
• α: 90°
• β: 101.404 ± 0.005°
• γ: 90°
• Cell volume: 5201 ± 3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.1626
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.2514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No