Information card for entry 7003214

Structure parameters

• Formula: C24 H180 Fe8 K4 N24 O186 P4 W40
• Calculated formula: Fe8 K4 O168 P4 W40
• Title of publication: Square versus tetrahedral iron clusters with polyoxometalate ligands
• Authors of publication: Pichon, Céline; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Rivière, Eric; Sécheresse, Francis
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 71
• a: 29.0731 ± 0.0007 Å
• b: 29.0731 ± 0.0007 Å
• c: 10.5212 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8893 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No