Information card for entry 7111334

Structure parameters

• Formula: C18 H28 O7 Zr
• Calculated formula: C18 H28 O7 Zr
• SMILES: [Zr]123(OC(C)C)([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)[O]=C(C=C(O3)C)C
• Title of publication: Stabilization and destabilization of zirconium propoxide precursors by acetylacetoneElectronic supplementary information (ESI) available: summary of 1H NMR spectra and CIF files for compounds 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b406012a/
• Authors of publication: Spijksma, Gerald I.; Bouwmeester, Henny J. M.; Blank, Dave H. A.; Kessler, Vadim G.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 16
• Pages of publication: 1874 - 1875
• a: 8.5444 ± 0.0017 Å
• b: 30.933 ± 0.006 Å
• c: 8.2339 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2176.3 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No