Information card for entry 7051754

Structure parameters

• Formula: C104.5 H108 Fe6 N10 O32.5
• Calculated formula: C104.5 H108 Fe6 N10 O32.5
• Title of publication: A hexanuclear iron(iii) complex of a hexadentate fully conjugated diimine ligand derived from 1,4-diformyl-2,3-dihydroxybenzene
• Authors of publication: Feltham, Humphrey L. C.; Larsen, David S.; Brooker, Sally
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2001
• a: 16.94 ± 0.004 Å
• b: 17.775 ± 0.005 Å
• c: 19.317 ± 0.005 Å
• α: 74.707 ± 0.007°
• β: 80.588 ± 0.007°
• γ: 75.863 ± 0.007°
• Cell volume: 5410 ± 2 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.234
• Residual factor for significantly intense reflections: 0.157
• Weighted residual factors for significantly intense reflections: 0.3179
• Weighted residual factors for all reflections included in the refinement: 0.3556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No