Information card for entry 4132755

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: 9.2763 ± 0.0006 Å
• b: 10.2063 ± 0.0005 Å
• c: 22.0345 ± 0.0013 Å
• α: 91.425 ± 0.005°
• β: 101.334 ± 0.005°
• γ: 98.996 ± 0.005°
• Cell volume: 2017 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.2072
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No