Information card for entry 4322886

Structure parameters

• Formula: C22 H16 Cl4 O6 S2 Zr
• Calculated formula: C22 H16 Cl4 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: 7.7574 ± 0.0007 Å
• b: 12.1124 ± 0.0012 Å
• c: 13.4613 ± 0.0011 Å
• α: 85.343 ± 0.007°
• β: 76.653 ± 0.006°
• γ: 79.88 ± 0.008°
• Cell volume: 1210.43 ± 0.19 ų
• Cell temperature: 238 K
• Ambient diffraction temperature: 238 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: 0.0333
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.0662
• Goodness-of-fit parameter for all reflections: 1.058
• 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