Information card for entry 7024612

Structure parameters

• Common name: (Fe$II!(CN)!6$(Fe$III!(salpet))!6$)Cl!2$
• Formula: C120 H126 Cl2 Fe7 N24 O12
• Calculated formula: C120 H126 Cl1.56 Fe7 N24 O12
• Title of publication: Spin crossover in a heptanuclear mixed-valence iron complex.
• Authors of publication: Boca, Roman; Salitros, Ivan; Kozísek, Jozef; Linares, Jorge; Moncol, Ján; Renz, Franz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2198 - 2200
• a: 14.443 ± 0.003 Å
• b: 14.48 ± 0.003 Å
• c: 14.842 ± 0.003 Å
• α: 105.15 ± 0.03°
• β: 105.21 ± 0.03°
• γ: 92.04 ± 0.03°
• Cell volume: 2873 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2325
• Residual factor for significantly intense reflections: 0.1153
• Weighted residual factors for significantly intense reflections: 0.3098
• Weighted residual factors for all reflections included in the refinement: 0.3482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No