Information card for entry 7110416

Structure parameters

• Common name: Zr(IV)(acac)2sae
• Chemical name: bis-(acetylacetonato)-N(2-hydroxyethyl)salicylidenimino-zirconium(IV)
• Formula: C38 H46 N2 O12 Zr2
• Calculated formula: C38 H46 N2 O12 Zr2
• Title of publication: X-Ray structure and solvolytic activity towards phosphate diesters of a zirconium(IV) complex
• Authors of publication: Stulz, Eugen; Leumann, Christian
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 3
• Pages of publication: 239
• a: 11.642 ± 0.002 Å
• b: 12.002 ± 0.002 Å
• c: 15.718 ± 0.003 Å
• α: 89.32 ± 0.03°
• β: 70.01 ± 0.03°
• γ: 86.67 ± 0.03°
• Cell volume: 2060.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No