Information card for entry 7024993

Structure parameters

• Formula: C73.5 H62 F4 Fe4 N8 O9.5
• Calculated formula: C72 H56 F4 Fe4 N8 O8
• SMILES: [Fe]1234([F][Fe]56([F][Fe]78([F][Fe]9([F]1)(O[N]3=C(c1c(O2)cccc1)c1ccccc1)(Oc1c(cccc1)C(=[N]9O8)c1ccccc1)[n]1ccccc1)(Oc1c(cccc1)C(=[N]7O6)c1ccccc1)[n]1ccccc1)(Oc1c(cccc1)C(=[N]5O4)c1ccccc1)[n]1ccccc1)[n]1ccccc1
• Title of publication: Building Fe(III) clusters with derivatised salicylaldoximes.
• Authors of publication: Mason, Kevin; Gass, Ian A.; Parsons, Simon; Collins, Anna; White, Fraser J.; Slawin, Alexandra M. Z.; Brechin, Euan K.; Tasker, Peter A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2727 - 2734
• a: 26.0878 ± 0.0016 Å
• b: 20.7755 ± 0.0012 Å
• c: 27.5991 ± 0.0017 Å
• α: 90°
• β: 115.981 ± 0.001°
• γ: 90°
• Cell volume: 13446.7 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No