Information card for entry 7019302

Structure parameters

• Formula: C29 H32 Cr N2 O
• Calculated formula: C29 H32 Cr N2 O
• SMILES: C1c2cccc[n]2[Cr]2345([cH]6[cH]2[cH]3[cH]4[cH]56)([N]=1c1c(cc(cc1C)C)C)OC(C)(C)c1ccccc1
• Title of publication: Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.
• Authors of publication: Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 7920 - 7930
• a: 8.2157 ± 0.0007 Å
• b: 8.8464 ± 0.0008 Å
• c: 16.8445 ± 0.0015 Å
• α: 89.077 ± 0.002°
• β: 89.842 ± 0.002°
• γ: 77.669 ± 0.002°
• Cell volume: 1195.85 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0458
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No