Information card for entry 7043778

Structure parameters

• Common name: [Fe(azp)(qsal)]0.5MeOH
• Formula: C28.5 H21 Fe N4 O3.5
• Calculated formula: C28.5 H20.5 Fe N4 O3.5
• Title of publication: Cooperative spin-crossover transition from three-dimensional purely π-stacking interactions in a neutral heteroleptic azobisphenolate Fe(III) complex with a N3O3 coordination sphere.
• Authors of publication: Murata, Suguru; Takahashi, Kazuyuki; Mochida, Tomoyuki; Sakurai, Takahiro; Ohta, Hitoshi; Yamamoto, Takashi; Einaga, Yasuaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• a: 8.211 ± 0.007 Å
• b: 11.779 ± 0.011 Å
• c: 11.954 ± 0.011 Å
• α: 95.645 ± 0.013°
• β: 100.928 ± 0.012°
• γ: 97.98 ± 0.012°
• Cell volume: 1114.9 ± 1.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0926
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No