Information card for entry 4341699

Structure parameters

• Common name: HfONc4
• Formula: C48 H88 Hf2 O16
• Calculated formula: C48 H88 Hf2 O16
• SMILES: [Hf]12345([O]=C(O1)CC(C)(C)C)(OC(=[O]2)CC(C)(C)C)[O]=C(O[Hf]12([O]=C(O4)CC(C)(C)C)([O]=C(O5)CC(C)(C)C)(OC(=[O]3)CC(C)(C)C)(OC(=[O]1)CC(C)(C)C)[O]=C(O2)CC(C)(C)C)CC(C)(C)C
• Title of publication: Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production.
• Authors of publication: Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141117102556003
• a: 11.3388 ± 0.0005 Å
• b: 11.8903 ± 0.0006 Å
• c: 43.709 ± 0.002 Å
• α: 86.329 ± 0.002°
• β: 86.672 ± 0.002°
• γ: 87.272 ± 0.002°
• Cell volume: 5865.2 ± 0.5 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171 ± 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: 0.0966
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2591
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No