Information card for entry 7019297

Structure parameters

• Formula: C31 H41 Cl Cr N2
• Calculated formula: C31 H41 Cl Cr N2
• SMILES: C1C=[N](c2c(cccc2C(C)C)C(C)C)[Cr]2345([N]=1c1c(cccc1C(C)C)C(C)C)([cH]1[cH]2[cH]4[cH]5[cH]31)Cl
• 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: 10.5374 ± 0.0002 Å
• b: 13.0276 ± 0.0002 Å
• c: 20.7603 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2849.91 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P b n m
• Hall space group symbol: -P 2c 2ab
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No