Information card for entry 7025851

Structure parameters

• Formula: C106 H158 Nd2 O8
• Calculated formula: C106 H158 Nd2 O8
• SMILES: O(c1c(cc(cc1)C(C)(C)C)C(C)(C)C)[Nd]1([O](c2c(cc(cc2)C(C)(C)C)C(C)(C)C)[Nd]([O]1c1c(cc(cc1)C(C)(C)C)C(C)(C)C)(Oc1c(cc(cc1)C(C)(C)C)C(C)(C)C)(Oc1c(cc(cc1)C(C)(C)C)C(C)(C)C)[O]1CCCC1)(Oc1c(cc(cc1)C(C)(C)C)C(C)(C)C)[O]1CCCC1.Cc1ccccc1.Cc1ccccc1
• 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: 11.226 ± 0.002 Å
• b: 14.321 ± 0.003 Å
• c: 16.832 ± 0.003 Å
• α: 83.24 ± 0.03°
• β: 73.97 ± 0.03°
• γ: 73.61 ± 0.03°
• Cell volume: 2492.8 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No