Information card for entry 7014982

Structure parameters

• Formula: C24 H23 Cr F3 N O4 S
• Calculated formula: C24 H23 Cr F3 N O4 S
• SMILES: CC1=CC(c2ccccc2)=[O][Cr]2345([cH]6[cH]5[cH]4[cH]3[cH]26)(N1c1cc(cc(c1)C)C)OS(=O)(=O)C(F)(F)F
• 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: 13.518 ± 0.009 Å
• b: 16.712 ± 0.008 Å
• c: 21.148 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4778 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.05
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No