Information card for entry 7014984

Structure parameters

• Formula: C23 H32 Cr I N2
• Calculated formula: C23 H32 Cr I N2
• SMILES: C1CCN2CCCCCC2=[N]1[Cr]1234(c5c(cc(cc5C)C)C)([cH]5[cH]1[cH]2[cH]3[cH]45)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: 11.5521 ± 0.0005 Å
• b: 13.9206 ± 0.0005 Å
• c: 14.6207 ± 0.0006 Å
• α: 90°
• β: 110.507 ± 0.001°
• γ: 90°
• Cell volume: 2202.19 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No