Information card for entry 7014981

Structure parameters

• Formula: C24 H27 Cr I N O
• Calculated formula: C24 H27 Cr I N O
• SMILES: c12ccccc1C=[N](c1c(cccc1C(C)C)C(C)C)[Cr]1345([cH]6[cH]5[cH]4[cH]3[cH]16)(O2)I
• Title of publication: Cyclopentadienyl mesityl complexes of chromium(II) and chromium(III).
• Authors of publication: Zhou, Wen; Therrien, Jeffrey A.; Wence, D Lee K; Yallits, Emily N.; Conway, Julia L.; Patrick, Brian O.; Smith, Kevin M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 337 - 339
• a: 8.981 ± 0.0008 Å
• b: 10.443 ± 0.0009 Å
• c: 12.6068 ± 0.0011 Å
• α: 92.002 ± 0.004°
• β: 107.735 ± 0.004°
• γ: 91.342 ± 0.005°
• Cell volume: 1124.77 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No