Information card for entry 4121383

Structure parameters

• Formula: C68 H56 F9 Fe3 N6 O20 S3 Sr
• Calculated formula: C68 H56 F9 Fe3 N6 O20 S3 Sr
• 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: 16.2788 ± 0.0006 Å
• b: 26.1544 ± 0.0009 Å
• c: 20.0612 ± 0.0007 Å
• α: 90°
• β: 105.979 ± 0.002°
• γ: 90°
• Cell volume: 8211.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No