Information card for entry 7715989

Structure parameters

• Formula: C45 H42 Co1.5 F9 Fe N15 O6
• Calculated formula: C45 H42 Co1.5 F9 Fe N15 O6
• Title of publication: Thermal and protonation-induced electron transfer coupled spin transition in discrete [Fe2Co3] Prussian Blue Analogue
• Authors of publication: Yadav, Jyoti; Nandi, Monojit; Kharel, Ranjan; Mukherjee, Moubani; Konar, Sanjit
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 28.9299 ± 0.0012 Å
• b: 19.9584 ± 0.0012 Å
• c: 23.2361 ± 0.0011 Å
• α: 90°
• β: 100.411 ± 0.002°
• γ: 90°
• Cell volume: 13195.5 ± 1.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No