Information card for entry 4302648

Structure parameters

• Formula: C26 H60 Ca4 Cl10 O17 Zr2
• Calculated formula: C26 H60 Ca4 Cl10 O17 Zr2
• SMILES: [Zr]1234(Cl)O[Zr]567([O]8[Ca]9%10([Cl][Ca]%11%12([O]1CC[O]%11C)([Cl][Ca]1%11([Cl][Ca]%13%14([Cl]9)([O]2CC[O]%13C)[O]5CC[O]%14C)([O]7CC[O]1C)[O]4CC[O]%11C)[O]6CC[O]%12C)([O]3CC[O]%10C)[O](CC8)C)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Cyclopentadienyl/Alkoxo Ligand Exchange in Group 4 Metallocenes: A Convenient Route to Heterometallic Species
• Authors of publication: Piotr Sobota; Anna Drąg-Jarząbek; Łukasz John; Józef Utko; Lucjan B. Jerzykiewicz; Marek Duczmal
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6584 - 6593
• a: 11.019 ± 0.005 Å
• b: 11.808 ± 0.005 Å
• c: 11.829 ± 0.006 Å
• α: 104.15 ± 0.04°
• β: 115.31 ± 0.05°
• γ: 92.92 ± 0.04°
• Cell volume: 1327.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0353
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No