Information card for entry 4306057

Structure parameters

• Formula: C71 H136 Ca8 Cl18 O32 Zr4
• Calculated formula: C71 H136 Ca8 Cl18 O32 Zr4
• Title of publication: Unexpected Cyclopentadienyl/Alkoxo Ligand Exchange in Titano- and Zirconocene. New Opportunities
• Authors of publication: Piotr Sobota; Józef Utko; Łukasz John; Lucjan B. Jerzykiewicz; Anna Drág-Jarzábek
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7939 - 7941
• a: 31.259 ± 0.007 Å
• b: 17.216 ± 0.005 Å
• c: 23.455 ± 0.006 Å
• α: 90°
• β: 111.19 ± 0.04°
• γ: 90°
• Cell volume: 11769 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No