Information card for entry 7703827

Structure parameters

• Formula: C12 H10 Co0.58 Fe0.42 K N10
• Calculated formula: C12 H9.9996 Co0.5761 Fe0.4238 K N9.9996
• Title of publication: Phase transition tuning by Fe(iii)/Co(iii) substitution in switchable cyano-bridged perovskites: (C₃H₅N₂)₂[KFe_xCo_1-x(CN)₆].
• Authors of publication: Rok, Magdalena; Moskwa, Marcin; Pawlukojć, Andrzej; Janicki, Rafał; Zuba, Iga; Zieliński, Piotr; Sobieszczyk, Paweł; Bator, Grażyna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 5503 - 5512
• a: 8.747 ± 0.003 Å
• b: 8.747 ± 0.003 Å
• c: 19.074 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1263.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No