Information card for entry 4327909

Structure parameters

• Formula: C60 H76 Cr2 N4 O2
• Calculated formula: C60 H76 Cr2 N4 O2
• Title of publication: Reactivity of Cr(III) μ-Oxo Compounds: Catalyst Regeneration and Atom Transfer Processes
• Authors of publication: K. Cory MacLeod; Brian O. Patrick; Kevin M. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 688 - 700
• a: 16.0439 ± 0.0008 Å
• b: 11.9799 ± 0.0005 Å
• c: 27.4399 ± 0.0013 Å
• α: 90°
• β: 103.2 ± 0.002°
• γ: 90°
• Cell volume: 5134.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No