Information card for entry 7031116

Structure parameters

• Formula: C24 H36 Cl2 Zr
• Calculated formula: C24 H36 Cl2 Zr
• Title of publication: Preparation of ansa-metallocenes for production of poly(α-olefin) lubricants.
• Authors of publication: Park, Ji Hae; Jang, Young Eun; Jeon, Jong Yeob; Go, Min Jeong; Lee, Junseong; Kim, Sung Kwan; Lee, Sang-Ick; Lee, Bun Yeoul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 26
• Pages of publication: 10132 - 10138
• a: 11.8175 ± 0.0007 Å
• b: 10.6459 ± 0.0006 Å
• c: 18.57 ± 0.0011 Å
• α: 90°
• β: 97.934 ± 0.004°
• γ: 90°
• Cell volume: 2313.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.1164
• Weighted residual factors for significantly intense reflections: 0.2978
• Weighted residual factors for all reflections included in the refinement: 0.3067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No