Information card for entry 4121384

Structure parameters

• Formula: C66 H49 F9 Fe3 N7 O18 S3 Zn
• Calculated formula: C66 H49 F9 Fe3 N7 O18 S3 Zn
• Title of publication: Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals
• Authors of publication: David E. Herbert; Davide Lionetti; Jonathan Rittle; Theodor Agapie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 19075 - 19078
• a: 14.292 ± 0.003 Å
• b: 14.592 ± 0.003 Å
• c: 18.666 ± 0.004 Å
• α: 72.48 ± 0.03°
• β: 72.06 ± 0.03°
• γ: 70.67 ± 0.03°
• Cell volume: 3407.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2457
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.7293 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes