Information card for entry 7237546

Structure parameters

• Common name: [Fe12i(C22)(bpea)]n
• Formula: C74 H118 Fe N4 O8
• Calculated formula: C74 H118 Fe N4 O8
• Title of publication: Amphiphilic iron(ii) spin crossover coordination polymers: crystal structures and phase transition properties
• Authors of publication: Weihermüller, Johannes; Schlamp, Stephan; Milius, Wolfgang; Puchtler, Florian; Breu, Josef; Ramming, Philipp; Hüttner, Sven; Agarwal, Seema; Göbel, Christoph; Hund, Markus; Papastavrou, Georg; Weber, Birgit
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 1151
• a: 8.8292 ± 0.0005 Å
• b: 13.3483 ± 0.0008 Å
• c: 38.144 ± 0.002 Å
• α: 100.3 ± 0.003°
• β: 90.396 ± 0.003°
• γ: 104.379 ± 0.003°
• Cell volume: 4278.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1549
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No