Information card for entry 7040781

Structure parameters

• Formula: C4.69 Co Fe0.78 N4.69 Na0.46 O1.31
• Calculated formula: C4.686 Co0.9998 Fe0.781 N4.686 Na0.4608 O1.314
• Title of publication: Water-dependent charge-transfer-induced spin transition of Prussian blue analogues.
• Authors of publication: Ohmagari, Hitomi; Ohtani, Ryo; Nakaya, Manabu; Ohba, Masaaki; Nakamura, Masaaki; Lindoy, Leonard F.; Sato, Osamu; Hayami, Shinya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16784 - 16788
• a: 10.3323 Å
• b: 10.3323 Å
• c: 10.3323 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1103.04 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.324
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No