Information card for entry 7043779

Structure parameters

• Common name: [Fe(azp)(qsal)2]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: 8.3517 ± 0.0012 Å
• b: 11.4955 ± 0.0017 Å
• c: 12.5888 ± 0.0018 Å
• α: 99.329 ± 0.002°
• β: 100.429 ± 0.002°
• γ: 95.311 ± 0.002°
• Cell volume: 1163.6 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No