Information card for entry 7713352

Structure parameters

• Formula: C46 H50 F5 N3 O Zn
• Calculated formula: C46 H50 F5 N3 O Zn
• SMILES: [Zn]123([F]c4c(O1)c(F)c(F)c(F)c4F)N1C(C(=[N]2c2c(cccc2C(C)C)C(C)C)C)=CC(C=C1C(=[N]3c1c(cccc1C(C)C)C(C)C)C)Cc1ccccc1
• Title of publication: Ligand and Metal-Centred Reactivity in 2,6-bis(imino)-1,4-dihydropyridinate Zn(II) alkyls: the dual behaviour of an intriguing type of complex.
• Authors of publication: Delgado-Collado, Juan Manuel; Gallardo-Villagrán, Manuel; Alvarez González, Eleuterio; Campora, Juan; Rodríguez Delgado, Antonio
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.1701 ± 0.0014 Å
• b: 16.7089 ± 0.0018 Å
• c: 21.257 ± 0.002 Å
• α: 90°
• β: 103.129 ± 0.005°
• γ: 90°
• Cell volume: 4209.6 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2411
• Weighted residual factors for all reflections included in the refinement: 0.2701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No