Information card for entry 7011845

Structure parameters

• Formula: C66 H112 Cl6 Fe6 N2 O28
• Calculated formula: C66 H94 Cl6 Fe6 N2 O28
• Title of publication: Two new hexanuclear iron(III) complexes with S = 5 ground states
• Authors of publication: Cristina Cañada-Vilalta; Evan Rumberger; Euan K. Brechin; Wolfgang Wernsdorfer; Kirsten Folting; Ernest R. Davidson; David N. Hendrickson; George Christou
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 4005 - 4010
• a: 13.968 ± 0.002 Å
• b: 14.434 ± 0.002 Å
• c: 13.567 ± 0.002 Å
• α: 113.656 ± 0.008°
• β: 112.117 ± 0.008°
• γ: 87.55 ± 0.009°
• Cell volume: 2302.1 ± 0.6 ų
• Cell temperature: 112 K
• Ambient diffraction temperature: 112 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 significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1253
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No