Information card for entry 4320684

Structure parameters

• Chemical name: rac-[ethylenebis(4,7-dimethyl-η^5^-1-indenyl)] bis(pentafluorophenoxo)zirconium
• Formula: C36 H24 F10 O2 Zr
• Calculated formula: C36 H24 F10 O2 Zr
• SMILES: [Zr]123456789(Oc%10c(c(c(c(c%10F)F)F)F)F)(Oc%10c(c(c(c(c%10F)F)F)F)F)[c]%10([cH]1[cH]2[c]13[c]4%10c(ccc1C)C)CC[c]15[cH]6[cH]7[c]28[c]91c(ccc2C)C
• Title of publication: Group 4 Dimethylmetallocenes: Improved Synthesis and Reactivity Studies
• Authors of publication: Davide Balboni; Isabella Camurati; Giansiro Prini; Luigi Resconi; Simona Galli; Pierluigi Mercandelli; Angelo Sironi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6588 - 6597
• a: 15.301 ± 0.004 Å
• b: 15.289 ± 0.006 Å
• c: 14.334 ± 0.005 Å
• α: 90°
• β: 114.52 ± 0.02°
• γ: 90°
• Cell volume: 3050.8 ± 1.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No