Information card for entry 7014980

Structure parameters

• Formula: C15 H14 Cr I O2
• Calculated formula: C15 H14 Cr I O2
• SMILES: CC1=[O][Cr]2345(OC(=C1)c1ccccc1)([cH]1[cH]2[cH]3[cH]4[cH]51)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: 19.6228 ± 0.0014 Å
• b: 7.4584 ± 0.0006 Å
• c: 20.531 ± 0.0016 Å
• α: 90°
• β: 98.57 ± 0.004°
• γ: 90°
• Cell volume: 2971.3 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No