Information card for entry 7003403

Structure parameters

• Formula: C86 H163 Fe10 N7 O44
• Calculated formula: C86 H163 Fe10 N7 O44
• Title of publication: Linking iron(iii) carboxylates into high-nuclearity complexes by using Bis-tris
• Authors of publication: Ferguson, Alan; McGregor, Julie; Parkin, Andrew; Murrie, Mark
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 6
• Pages of publication: 731 - 733
• a: 23.6467 ± 0.0011 Å
• b: 24.0903 ± 0.0012 Å
• c: 20.2106 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11513.1 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.1434
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0722
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No