Information card for entry 7703829

Structure parameters

• Formula: C12 H10 Co0.57 Fe0.43 K N10
• Calculated formula: C12 H10 Co0.5761 Fe0.4239 K N10
• 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: 15.089 ± 0.002 Å
• b: 8.773 ± 0.003 Å
• c: 13.454 ± 0.002 Å
• α: 90°
• β: 111.74 ± 0.03°
• γ: 90°
• Cell volume: 1654.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: A 1 2/a 1
• Hall space group symbol: -A 2ya
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No