Information card for entry 1512970

Structure parameters

• Formula: C37 H52 Hf N4 O2
• Calculated formula: C37 H52 Hf N4 O2
• SMILES: [Hf]12(OC(=CC(=[N]1c1c(cccc1C)C)C)C)(OC(=CC(=[N]2c1c(cccc1C)C)C)C)(N(C)C)N(C)C.c1(ccccc1)C
• Title of publication: Synthesis of hafnium(IV) beta-ketoiminates as potential precursors for the MOCVD of HfO2
• Authors of publication: Diego Gonzalez-Flores; Siddappa A. Patil; Phillip A. Medina; Seth Dever; Chananate Uthaisar; Leslie W. Pineda; Mavis L. Montero; Joseph W. Ziller; Bradley D. Fahlman
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 396
• Pages of publication: 60 - 65
• a: 11.1333 ± 0.0004 Å
• b: 10.3317 ± 0.0003 Å
• c: 31.2018 ± 0.001 Å
• α: 90°
• β: 98.1855 ± 0.0003°
• γ: 90°
• Cell volume: 3552.5 ± 0.2 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0384
• 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