Information card for entry 7003275

Structure parameters

• Formula: C68 H88 O16 Zr2
• Calculated formula: C68 H88 O16 Zr2
• Title of publication: Titanium and zirconium benzofuranoxides. Crystal structures and catalytic properties
• Authors of publication: Krauzy-Dziedzic, Katarzyna; Ejfler, Jolanta; Szafert, Sławomir; Sobota, Piotr
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 19
• Pages of publication: 2620 - 2626
• a: 11.1465 ± 0.0005 Å
• b: 12.1096 ± 0.0007 Å
• c: 13.1966 ± 0.0008 Å
• α: 93.782 ± 0.005°
• β: 111.46 ± 0.005°
• γ: 92.187 ± 0.004°
• Cell volume: 1650.45 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No