Information card for entry 7713353

Structure parameters

• Formula: C48 H49 F18 N3 O2 Zn
• Calculated formula: C48 H49 F18 N3 O2 Zn
• SMILES: [Zn]1(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)[n]2c(cc(cc2/C(=N/c2c(cccc2C(C)C)C(C)C)C)Cc2ccccc2)C(=[N]1c1c(cccc1C(C)C)C(C)C)C
• 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: 10.6039 ± 0.0005 Å
• b: 12.8166 ± 0.0008 Å
• c: 18.7166 ± 0.0011 Å
• α: 90°
• β: 102.083 ± 0.002°
• γ: 90°
• Cell volume: 2487.3 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No