Information card for entry 7014979

Structure parameters

• Formula: C23 H32 Cr N2
• Calculated formula: C23 H32 Cr N2
• SMILES: c1(c(cc(cc1C)C)C)[Cr]1234(=C5N(C=CN5C(C)C)C(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: 8.3577 ± 0.0002 Å
• b: 8.4155 ± 0.0002 Å
• c: 18.1329 ± 0.0005 Å
• α: 97.089 ± 0.001°
• β: 98.188 ± 0.001°
• γ: 118.421 ± 0.001°
• Cell volume: 1083.11 ± 0.05 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: 0.0375
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No