Information card for entry 7014983

Structure parameters

• Formula: C23 H32 Cr N2
• Calculated formula: C23 H32 Cr N2
• SMILES: C1CCN2CCCCCC2=[N]1[Cr]1234(c5c(cc(cc5C)C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 14.3796 ± 0.0011 Å
• b: 15.9373 ± 0.0012 Å
• c: 18.4488 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4227.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No