Information card for entry 4060392

Structure parameters

• Formula: C84 H38 B2 Cl4 F40 Zr2
• Calculated formula: C84 H38 B2 Cl4 F40 Zr2
• SMILES: [B-](c1c(F)c(F)c(c(F)c1F)F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(c(c(c1F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.C[c]12[cH]3[cH]4[Zr]56789%1013([c]1([cH]8[cH]7[cH]6[cH]51)C)([cH]2[cH]49)[Cl][Zr]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C)([c]1([cH]8[cH]7[cH]6[cH]51)C)[Cl]%10.c1(ccccc1)Cl.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(ccccc1)Cl
• Title of publication: Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane
• Authors of publication: Wu, Fan; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 2688 - 2697
• a: 11.684 ± 0.002 Å
• b: 13.503 ± 0.003 Å
• c: 13.712 ± 0.003 Å
• α: 85.334 ± 0.004°
• β: 68.088 ± 0.004°
• γ: 75.768 ± 0.004°
• Cell volume: 1945.3 ± 0.7 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No