Information card for entry 7200713

Structure parameters

• Formula: C27 H33 O13 Zr2
• Calculated formula: C27 H33 O13 Zr2
• Title of publication: Ligand dynamics on the surface of zirconium oxo clusters
• Authors of publication: Walther, Philip; Puchberger, Michael; Kogler, F. Rene; Schwarz, Karlheinz; Schubert, Ulrich
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 3640 - 3647
• a: 11.1545 ± 0.001 Å
• b: 11.845 ± 0.0011 Å
• c: 12.0487 ± 0.0011 Å
• α: 76.062 ± 0.002°
• β: 85.173 ± 0.002°
• γ: 85.04 ± 0.002°
• Cell volume: 1536 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No