Information card for entry 4302647

Structure parameters

• Formula: C42 H102 Cl4 Hf2 O29 Sr4
• Calculated formula: C42 H102 Cl4 Hf2 O29 Sr4
• SMILES: [Hf]1234(O[Hf]567([O]8([Sr]9%10%11%12([O]2([Sr]2%13%14(Cl)([O]1([Sr]1%15(Cl)([O]3(CC[O]1C)[Sr]18(Cl)([O]4%10CC[O]1C)[OH]CCOC)([OH]CCOC)([O]5CC[O]%15C)[O]7%13CC[O]%14C)CC[O]2C)([OH]CCOC)[O]6%11CC[O]%12C)CC[O]9C)(Cl)[OH]CCOC)CCOC)OCCOC)OCCOC
• 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: 12.184 ± 0.004 Å
• b: 12.833 ± 0.004 Å
• c: 13.258 ± 0.005 Å
• α: 64.54 ± 0.03°
• β: 75.31 ± 0.02°
• γ: 66.39 ± 0.03°
• Cell volume: 1706.7 ± 1.1 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: 0.0307
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No