Information card for entry 7019295

Structure parameters

• Formula: C31 H34 Cr N2
• Calculated formula: C31 H34 Cr N2
• SMILES: C1c2ccccc2N(c2ccc(cc2)C)[Cr]2345([N]=1c1c(cccc1C(C)C)C(C)C)[cH]1[cH]2[cH]3[cH]4[cH]51
• 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: 9.2266 ± 0.0014 Å
• b: 11.0286 ± 0.0016 Å
• c: 13.5053 ± 0.0019 Å
• α: 81.93 ± 0.007°
• β: 82.478 ± 0.007°
• γ: 72.311 ± 0.007°
• Cell volume: 1290.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No