Information card for entry 4327906

Structure parameters

• Formula: C41 H51 Cr N2 O2
• Calculated formula: C41 H51 Cr N2 O2
• SMILES: CC1=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Cr]2345([cH]6[cH]2[cH]3[cH]4[cH]56)(N1c1c(cccc1C(C)C)C(C)C)OC(=O)c1ccccc1
• 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: 17.658 ± 0.002 Å
• b: 10.735 ± 0.002 Å
• c: 19.883 ± 0.004 Å
• α: 90°
• β: 91.067 ± 0.007°
• γ: 90°
• Cell volume: 3768.3 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No