Information card for entry 7236894

Structure parameters

• Formula: C30 H44 B2 Fe N12
• Calculated formula: C30 H44 B2 Fe N12
• Title of publication: The disentangling of hysteretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe(ii) molecules
• Authors of publication: Iasco, O.; Boillot, M.-L.; Bellec, A.; Guillot, R.; Rivière, E.; Mazerat, S.; Nowak, S.; Morineau, D.; Brosseau, A.; Miserque, F.; Repain, V.; Mallah, T.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 42
• Pages of publication: 11067
• a: 8.7244 ± 0.0005 Å
• b: 10.4918 ± 0.0006 Å
• c: 10.8211 ± 0.0006 Å
• α: 115.322 ± 0.002°
• β: 98.499 ± 0.003°
• γ: 109.477 ± 0.003°
• Cell volume: 793.58 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0862
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No