Information card for entry 4339049

Structure parameters

• Formula: C27 H57 Cl7 Li2 O10 Pr
• Calculated formula: C27 H57 Cl7 Li2 O10 Pr
• SMILES: CC1(C)C[O](C)[Pr]23456([O]1[Li](Cl)[O]3C(C)(C)C[O]4C)[O](C(C)(C)C[O]2C)[Li]1([O]6C(C[O]5C)(C)C)(OC(C)(C)C[O]1C).C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 9.9344 ± 0.0011 Å
• b: 19.756 ± 0.002 Å
• c: 22.601 ± 0.003 Å
• α: 90°
• β: 95.708 ± 0.002°
• γ: 90°
• Cell volume: 4413.8 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.761
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No