Information card for entry 7003402

Structure parameters

• Formula: C83.5 H159.25 Cl5 Fe10 N2 Na O44.625
• Calculated formula: C83 H157 Cl4 Fe10 N2 Na 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: 17.6011 ± 0.0011 Å
• b: 23.6529 ± 0.0018 Å
• c: 29.306 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12200.6 ± 1.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor for all reflections: 0.1696
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections: 0.1147
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No