Information card for entry 7024302

Structure parameters

• Formula: C53 H43 B F20 N2 Si4 Zr2
• Calculated formula: C53 H44 B F20 N2 Si4 Zr2
• SMILES: [Zr]123456789%10(N([Si]([c]%112[cH]1[cH]6[cH]4[cH]7%11)(C)C)[Si](C)([c]1%10[cH]3[cH]8[cH]5[cH]91)C)[CH3][Zr]123456789%10N([Si]([c]%111[cH]8[cH]%10[cH]3[cH]9%11)(C)C)[Si]([c]14[cH]5[cH]7[cH]2[cH]61)(C)C.Fc1c(F)c(c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(c(F)c(F)c(c1F)F)F)c1c(F)c(F)c(F)c(c1F)F)F
• Title of publication: The amido-bridged zirconocene's reactivity and catalytic behavior for ethylene polymerization.
• Authors of publication: Wang, Cun; van Meurs, Martin; Stubbs, Ludger P.; Tay, Boon-Ying; Tan, Xiang-Jie; Aitipamula, Srinivasulu; Chacko, Jacob; Luo, He-Kuan; Wong, Pui-Kwan; Ye, Suming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 807 - 814
• a: 12.554 ± 0.003 Å
• b: 15.672 ± 0.003 Å
• c: 16.284 ± 0.003 Å
• α: 100.12 ± 0.03°
• β: 103.26 ± 0.03°
• γ: 111.69 ± 0.03°
• Cell volume: 2774.8 ± 1.4 ų
• Cell temperature: 110.15 ± 0.02 K
• Ambient diffraction temperature: 110.15 ± 0.02 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.22
• Weighted residual factors for all reflections included in the refinement: 0.2743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No