Information card for entry 7712416

Structure parameters

• Formula: C40 H48 F4 N4 O6 Zn2
• Calculated formula: C40 H48 F4 N4 O6 Zn2
• SMILES: [Zn]1234Oc5c(F)cccc5C[NH]3[C@H]3CCCC[C@@H]3[NH]4Cc3cccc(F)c3[O]1[Zn]134[O]2c2c(F)cccc2C[NH]3[C@H]2CCCC[C@@H]2[NH]4Cc2cccc(F)c2O1.O.O
• Title of publication: Fluorine-based Zn salan complexes
• Authors of publication: Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.12372 ± 0.00016 Å
• b: 10.6734 ± 0.0002 Å
• c: 12.4777 ± 0.0003 Å
• α: 64.9809 ± 0.0019°
• β: 75.1697 ± 0.0017°
• γ: 78.0265 ± 0.0016°
• Cell volume: 941.64 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No