Information card for entry 4124385

Structure parameters

• Formula: C55.5 H77.92 Fe2.88 N6
• Calculated formula: C55.5 H77.92 Fe2.88 N6
• 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: 19.85 ± 0.0003 Å
• b: 12.2997 ± 0.0003 Å
• c: 42.7542 ± 0.0008 Å
• α: 90°
• β: 103.41 ± 0.002°
• γ: 90°
• Cell volume: 10153.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No