Information card for entry 4067168

Structure parameters

• Formula: C24 H29 N3
• Calculated formula: C24 H29 N3
• SMILES: N(C(=C(/C(=N/c1ccccc1)C)C#N)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis of a [(π-Cyano-nacnac)Cp]zirconium Complex and Its Remote Activation for Ethylene Polymerization
• Authors of publication: Cabrera, Alan R.; Schneider, Yanika; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard; Rojas, Rene S.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 6104
• a: 12.3225 ± 0.0005 Å
• b: 12.9163 ± 0.0005 Å
• c: 13.6889 ± 0.0006 Å
• α: 90°
• β: 97.482 ± 0.002°
• γ: 90°
• Cell volume: 2160.19 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No