Information card for entry 4132752

Structure parameters

• Formula: C30 H48 F12 Fe N10 P2
• Calculated formula: C30 H48 F12 Fe N10 P2
• Title of publication: Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.
• Authors of publication: Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 40
• Pages of publication: 12870 - 12876
• a: 9.2022 ± 0.0007 Å
• b: 10.1887 ± 0.0007 Å
• c: 21.8917 ± 0.0018 Å
• α: 91.39 ± 0.006°
• β: 101.321 ± 0.007°
• γ: 98.577 ± 0.006°
• Cell volume: 1987.1 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7121 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No