Information card for entry 7009686

Structure parameters

• Formula: C50.5 H65 Cl5 O20 Zr3
• Calculated formula: C50.5 H65 Cl5 O20 Zr3
• 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: 13.9458 ± 0.0002 Å
• b: 14.1348 ± 0.0003 Å
• c: 17.199 ± 0.0003 Å
• α: 87.015 ± 0.001°
• β: 87.615 ± 0.001°
• γ: 67.292 ± 0.001°
• Cell volume: 3122.39 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections: 0.1299
• Weighted residual factors for significantly intense reflections: 0.1147
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No