Information card for entry 4327907

Structure parameters

• Formula: C30 H39 Cr N2 O
• Calculated formula: C30 H39 Cr N2 O
• SMILES: CC1=CC(C)=[N](c2c(cccc2C)C)[Cr]2345([cH]6[cH]5[cH]4[cH]3[cH]26)(N1c1c(cccc1C)C)OC(C)(C)C
• 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: 16.302 ± 0.003 Å
• b: 9.0161 ± 0.0016 Å
• c: 18.449 ± 0.003 Å
• α: 90°
• β: 99.28 ± 0.004°
• γ: 90°
• Cell volume: 2676.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No