Information card for entry 7009688

Structure parameters

• Formula: C73 H118 Cl6 O23 Zr4
• Calculated formula: C73 H118 Cl6 O24 Zr4
• Title of publication: Syntheses and characterization of mixed acetylacetonate‒catecholate complexes of zirconium, [Zr3(acac)4(cat)4(MeOH)2], [Zr(acac)2(DBcat)]2 (H2DBcat = 3,5-di-tert-butylcatechol) and [Zr4(μ4-O)(acac)4(DBcat)3(OMe)4(MeOH)]
• Authors of publication: Chi, Yun; Lan, Jing-Wen; Ching, Wei-Li; Peng, Shie-Ming; Lee, Gene-Hsiang
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 2923
• a: 13.234 ± 0.003 Å
• b: 14.387 ± 0.003 Å
• c: 25.277 ± 0.004 Å
• α: 75.947 ± 0.02°
• β: 85.394 ± 0.02°
• γ: 82.52 ± 0.019°
• Cell volume: 4623 ± 1.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.09
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No