Information card for entry 5000348

Structure parameters

• Formula: C87 H111 Cl3 Fe6 N12 O33
• Calculated formula: C87 H69 Cl3 Fe6 N12 O33.25
• Title of publication: Dinuclear and hexanuclear iron(III) carboxylate clusters with a bis(bipyridine) ligand: supramolecular aggregation of [Fe~2~O~2~] units to give a [Fe~6~O~6~] ladder structure
• Authors of publication: Seddon, Elisa J.; Yoo, Jae; Folting, Kirsten; Huffman, John C.; Hendrickson, David N.; Christou, George
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3640 - 3648
• a: 18.272 ± 0.003 Å
• b: 20.688 ± 0.003 Å
• c: 15.284 ± 0.002 Å
• α: 102.498 ± 0.007°
• β: 95.013 ± 0.008°
• γ: 101.045 ± 0.008°
• Cell volume: 5485.9 ± 1.4 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 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: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 2.2981
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No