Information card for entry 4124273

Structure parameters

• Formula: C51.07 H78 Fe3 N6 O2.12
• Calculated formula: C51.07 H78 Fe3 N6 O2.14
• Title of publication: Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).
• Authors of publication: Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150817071736007
• a: 11.307 ± 0.0009 Å
• b: 12.8847 ± 0.001 Å
• c: 17.5087 ± 0.0013 Å
• α: 82.264 ± 0.002°
• β: 75.065 ± 0.002°
• γ: 84.322 ± 0.002°
• Cell volume: 2436.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1058
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No