Information card for entry 7711774

Structure parameters

• Formula: C90 H65 Cl9 Dy3 N11 O10
• Calculated formula: C90 H65 Cl9 Dy3 N11 O10
• SMILES: [Dy]12345(Cl)(Oc6ccc(Cl)c7ccc[n]3c67)[O]([Dy]3678([O]1c1ccc(Cl)c9ccc[n]5c19)([O]2c1ccc(Cl)c2ccc[n]7c12)[O]1[Dy]25([O]3c3ccc(Cl)c7ccc[n]8c37)([O]6c3ccc(Cl)c6ccc[n]2c36)(Oc2ccc(Cl)c3ccc[n]5c23)([OH2])[n]2cccc3c(Cl)ccc1c23)c1ccc(Cl)c2ccc[n]4c12.O.n1c(cccc1)C.n1ccccc1C.n1c(cccc1)C
• Title of publication: Efficient synthetic route to heterobimetallic trinuclear complexes [Ln-Mn-Ln] and their single molecule magnetic properties
• Authors of publication: Filzah Ghazali, Nurul; Vignesh, Kuduva R.; Phonsri, Wasinee; Murray, Keith S.; Junk, Peter Courtney; Deacon, Glen B.; Turner, David Roger
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.026 ± 0.003 Å
• b: 20.243 ± 0.004 Å
• c: 31.359 ± 0.006 Å
• α: 90°
• β: 102.23 ± 0.03°
• γ: 90°
• Cell volume: 8702 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1248
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No