Information card for entry 7019301

Structure parameters

• Formula: C20 H21 Cr I N2
• Calculated formula: C20 H21 Cr I N2
• SMILES: c1cccc2C=[N](c3c(cc(cc3C)C)C)[Cr]3456([cH]7[cH]3[cH]4[cH]5[cH]67)([n]12)I
• 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: 10.0652 ± 0.0005 Å
• b: 17.6932 ± 0.0009 Å
• c: 20.9964 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3739.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No