Information card for entry 4124274

Structure parameters

• Formula: C49 H71 Br3 Co3 N6 O
• Calculated formula: C49 H71 Br3 Co3 N6 O
• 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: 12.0292 ± 0.0006 Å
• b: 12.4274 ± 0.0006 Å
• c: 17.1641 ± 0.0008 Å
• α: 103.454 ± 0.001°
• β: 101.378 ± 0.001°
• γ: 91.08 ± 0.001°
• Cell volume: 2440.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No