Information card for entry 7054048

Structure parameters

• Common name: Fe12i(C8)(dmap)2
• Formula: C49 H74 Fe N6 O9
• Calculated formula: C49 H74 Fe N6 O9
• 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: 11.9287 ± 0.0005 Å
• b: 13.1406 ± 0.0005 Å
• c: 17.0569 ± 0.0007 Å
• α: 103.154 ± 0.003°
• β: 100.508 ± 0.003°
• γ: 100.246 ± 0.003°
• Cell volume: 2491.76 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No