Information card for entry 4061945

Structure parameters

• Common name: Methyl[N,N¡¯-(1,2-dimethylene-1,2-ethanediyl)bis(2,6-diisopropyla nilido)- k2N,N¡¯](pentamethylcyclopentadienyl)zirconium(IV)
• Formula: C117 H168 N6 Zr3
• Calculated formula: C117 H168 N6 Zr3
• SMILES: [Zr]12345(N(c8c(cccc8C(C)C)C(C)C)C(C(N1c1c(cccc1C(C)C)C(C)C)=C)=C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 19.3649 ± 0.0002 Å
• b: 17.986 ± 0.0003 Å
• c: 31.4958 ± 0.0004 Å
• α: 90°
• β: 97.6226 ± 0.0009°
• γ: 90°
• Cell volume: 10873 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No