Information card for entry 4124382

Structure parameters

• Formula: C49 H69 Co3 N6 O2
• Calculated formula: C48.957 H69 Co2.975 N6 O1.914
• 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: 11.268 ± 0.0012 Å
• b: 11.7548 ± 0.0013 Å
• c: 18.803 ± 0.002 Å
• α: 87.601 ± 0.002°
• β: 77.471 ± 0.002°
• γ: 69.9286 ± 0.0019°
• Cell volume: 2282.1 ± 0.4 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: 0.1152
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No