Information card for entry 7025850

Structure parameters

• Common name: Nd(dbp)3(dme)2
• Formula: C50 H83 Nd O7
• Calculated formula: C50 H83 Nd O7
• SMILES: [Nd]12(Oc3ccc(cc3C(C)(C)C)C(C)(C)C)([O](CC[O]1C)C)(Oc1c(cc(cc1)C(C)(C)C)C(C)(C)C)(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)[O](CC[O]2C)C
• Title of publication: Low-coordinate rare-earth complexes of the asymmetric 2,4-di-tert-butylphenolate ligand prepared by redox transmetallation/protolysis reactions, and their reactivity towards ring-opening polymerisation.
• Authors of publication: Clark, Lawrence; Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Mountford, Philip; Townley, Josh P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6693 - 6704
• a: 15.866 ± 0.003 Å
• b: 22.379 ± 0.005 Å
• c: 16.364 ± 0.003 Å
• α: 90°
• β: 115.92 ± 0.03°
• γ: 90°
• Cell volume: 5226 ± 2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1491
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No