Information card for entry 4321850

Structure parameters

• Formula: C100 H130 K4 O23 Zr2
• Calculated formula: C100 H84 K4 O23 Zr2
• Title of publication: Synthesis of Zirconium Aryloxide Complexes Containing Pendent Vinyl Groups
• Authors of publication: William J. Evans; Mohammad A. Ansari; Joseph W. Ziller
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1160 - 1164
• a: 13.933 ± 0.003 Å
• b: 14.451 ± 0.004 Å
• c: 15.924 ± 0.004 Å
• α: 82.06°
• β: 65.46°
• γ: 67.51°
• Cell volume: 2694 ± 1.2 ų
• Cell temperature: 158 K
• Ambient diffraction temperature: 158 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: 0.1048
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections: 0.2776
• Weighted residual factors for significantly intense reflections: 0.257
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No