Information card for entry 4318580

Structure parameters

• Common name: complex 12, Er(tButBuMe)3
• Formula: C42 H78 Er N3 O6
• Calculated formula: C42 H78 Er N3 O6
• SMILES: [Er]1234(OC(=CC(=[N]2CC[O]1C)C(C)(C)C)C(C)(C)C)(OC(=CC(=[N]4CC[O]3C)C(C)(C)C)C(C)(C)C)O/C(=C\C(=N/CCOC)\C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and Characterization of Volatile, Fluorine-Free β-Ketoiminate Lanthanide MOCVD Precursors and Their Implementation in Low-Temperature Growth of Epitaxial CeO2 Buffer Layers for Superconducting Electronics
• Authors of publication: Nikki L. Edleman; Anchuan Wang; John A. Belot; Andrew W. Metz; Jason R. Babcock; Amber M. Kawaoka; Jun Ni; Matthew V. Metz; Christine J. Flaschenriem; Charlotte L. Stern; Louise M. Liable-Sands; Arnold L. Rheingold; Paul R. Markworth; Robert P. H. Chang; Michael P. Chudzik; Carl R. Kannewurf; Tobin J. Marks
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5005 - 5023
• a: 10.31 ± 0.0007 Å
• b: 27.3356 ± 0.0017 Å
• c: 17.4357 ± 0.0011 Å
• α: 90°
• β: 105.4 ± 0.001°
• γ: 90°
• Cell volume: 4737.5 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0295
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No