Information card for entry 4067622

Structure parameters

• Chemical name: 2,6-bis[1-(2,4,6-trimethylphenylimino)-2,2,2-trifluoroethyl]pyridine
• Formula: C27 H25 F6 N3
• Calculated formula: C27 H25 F6 N3
• SMILES: c1cc(nc(c1)/C(=N\c1c(cc(cc1C)C)C)C(F)(F)F)/C(=N\c1c(cc(cc1C)C)C)C(F)(F)F
• Title of publication: (Py)2Co(CH2SiMe3)2As an Easily Accessible Source of “CoR2”
• Authors of publication: Zhu, Di; Janssen, Femke F. B. J.; Budzelaar, Peter H. M.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1897
• a: 14.9916 ± 0.001 Å
• b: 14.9916 ± 0.001 Å
• c: 11.1077 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2496.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No