Information card for entry 7111333

Structure parameters

• Formula: C28 H56 O10 Zr2
• Calculated formula: C28 H56 O10 Zr2
• SMILES: CC1=CC(C)=[O][Zr]2(OC(C)C)(O1)([O](C(C)C)[Zr]1([O]2C(C)C)(OC(C)C)([O]=C(C)C=C(C)O1)OC(C)C)OC(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: 10.004 ± 0.016 Å
• b: 10.686 ± 0.014 Å
• c: 12.27 ± 0.02 Å
• α: 87.74 ± 0.04°
• β: 67.16 ± 0.03°
• γ: 64.75 ± 0.05°
• Cell volume: 1081 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1045
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No