Information card for entry 1550642

Structure parameters

• Formula: C30 H48 As1.42 F12 Fe N10 P0.58
• Calculated formula: C30 H48 As1.42 F12 Fe N10 P0.58
• SMILES: [As](F)(F)(F)(F)(F)[F-].[As](F)(F)(F)(F)([F-])F.[As](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)([F-])F.[Fe]12345[n]6ccn(c6C=[N]1CCN(CC[N]3=Cc1[n]2ccn1CCCC)CC[N]5=Cc1[n]4ccn1CCCC)CCCC.[Fe]12345[n]6ccn(c6C=[N]1CCN(CC[N]3=Cc1[n]2ccn1CCCC)CC[N]5=Cc1[n]4ccn1CCCC)CCCC
• Title of publication: Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material
• Authors of publication: Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 9.588 ± 0.003 Å
• b: 10.0652 ± 0.0019 Å
• c: 21.074 ± 0.004 Å
• α: 93.89 ± 0.017°
• β: 93.68 ± 0.02°
• γ: 100.469 ± 0.019°
• Cell volume: 1989.2 ± 0.8 ų
• Cell temperature: 157 ± 0.1 K
• Ambient diffraction temperature: 157 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2789
• Residual factor for significantly intense reflections: 0.1247
• Weighted residual factors for significantly intense reflections: 0.2859
• Weighted residual factors for all reflections included in the refinement: 0.3885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No