Information card for entry 1552543

Structure parameters

• Formula: C26.5 H33 Cl2 N3 V
• Calculated formula: C26.5 H33 Cl2 N3 V
• SMILES: [V](Cl)(Cl)(=NC(c1ccccc1)(c1ccccc1)c1ccccc1)([NH](C)C)[NH](C)C.Cc1ccccc1
• Title of publication: Copolymerization of Ethylene with Propylene and Higher α-Olefins Catalyzed by (Imido)vanadium(IV) Dichloride Complexes
• Authors of publication: Zanchin, Giorgia; Bertini, Fabio; Vendier, Laure; Ricci, Giovanni; Lorber, Christian; Leone, Giuseppe
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• a: 12.32 ± 0.005 Å
• b: 23.643 ± 0.005 Å
• c: 19.162 ± 0.005 Å
• α: 90°
• β: 108.331 ± 0.005°
• γ: 90°
• Cell volume: 5298 ± 3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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 all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1336
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No