Information card for entry 7019298

Structure parameters

• Formula: C20 H21 Cr N2
• Calculated formula: C20 H21 Cr N2
• SMILES: c1c(C)c(c(C)cc1C)[N]1[Cr]2345([cH]6[cH]2[cH]5[cH]4[cH]36)[n]2ccccc2C=1
• 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: 13.1264 ± 0.0014 Å
• b: 7.0886 ± 0.0008 Å
• c: 18.898 ± 0.002 Å
• α: 90°
• β: 100.821 ± 0.006°
• γ: 90°
• Cell volume: 1727.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No