Information card for entry 4084510

Structure parameters

• Formula: C24 H25 Cl Co N3 O2
• Calculated formula: C24 H25 Cl Co N3 O2
• SMILES: C([n+]1ccccc1)[Co]123([N](=Cc4c(ccc(c4)C)O2)CC[N]1=Cc1cc(ccc1O3)C)Cl
• Title of publication: Formation and Structure of a Cobalt(III) Complex Containing a Nonstabilized Pyridinium Ylide Ligand
• Authors of publication: Siega, Patrizia; Dreos, Renata; Brancatelli, Giovanna; Demitri, Nicola; Geremia, Silvano
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6076
• a: 7.227 ± 0.001 Å
• b: 24.325 ± 0.002 Å
• c: 24.449 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4298.1 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P n a a
• Hall space group symbol: -P 2ac 2bc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1895
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.77491 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No