Information card for entry 4339051

Structure parameters

• Formula: C45 H100 La3 Na O19
• Calculated formula: C45 H100 La3 Na O19
• SMILES: C1(C[O](C)[La]23456([OH]7[La]89([O]12[La]17([O]5C(C[O]6C)(C)C)(OC(COC)(C)C)[O]2C(C[O](C)[Na]562([O]8C(C[O]6C)(C)C)[O]91C(C[O]5C)(C)C)(C)C)([O]3C(C[O]4C)(C)C)OC(COC)(C)C)OC(COC)(C)C)(C)C
• Title of publication: Precursors for MOCVD and ALD of rare earth oxides-complexes of the early lanthanides with a donor-functionalized alkoxide ligand.
• Authors of publication: Aspinall, Helen C.; Bickley, Jamie F.; Gaskell, Jeffrey M.; Jones, Anthony C.; Labat, Gael; Chalker, Paul R.; Williams, Paul A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5852 - 5860
• a: 11.514 ± 0.0007 Å
• b: 13.5134 ± 0.0008 Å
• c: 22.3467 ± 0.0013 Å
• α: 74.749 ± 0.001°
• β: 78.496 ± 0.001°
• γ: 71.226 ± 0.001°
• Cell volume: 3150.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No