Information card for entry 7022942

Structure parameters

• Formula: C82 H156 Cl12 Fe14 N34 O28
• Calculated formula: C28 H75 Cl12 Fe14 N7 O28
• Title of publication: Spins on a curved surface: an Fe(III)14 ferracalixarene.
• Authors of publication: Ako, Ayuk M.; Lan, Yanhua; Mereacre, Valeriu; Ruiz, Eliseo; Aravena, Daniel; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9606 - 9612
• a: 40.4133 ± 0.0008 Å
• b: 40.4133 ± 0.0008 Å
• c: 40.4133 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 66004 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No