Information card for entry 4322885

Structure parameters

• Formula: C22 H18 Cl2 O6 S2 Zr
• Calculated formula: C22 H18 Cl2 O6 S2 Zr
• Title of publication: Variation in the Mode of Coordination of Aryl Sulfonates to Zirconocene in the Solid State
• Authors of publication: Nicola S. Hüsgen; Gerrit A. Luinstra; Frank Schaper; Katrin Schmidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3471 - 3474
• a: 7.9669 ± 0.0008 Å
• b: 11.0816 ± 0.0012 Å
• c: 13.4056 ± 0.001 Å
• α: 79.944 ± 0.007°
• β: 75.009 ± 0.007°
• γ: 84.647 ± 0.009°
• Cell volume: 1124.24 ± 0.19 ų
• Cell temperature: 228 K
• Ambient diffraction temperature: 228 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.0694
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes