Information card for entry 7111352

Structure parameters

• Formula: C23 H30 N5 O3 V
• Calculated formula: C23 H30 N5 O3 V
• SMILES: [V]12(=O)(n3c4ccccc4nc3C[N]1(Cc1[n]2c2ccccc2[nH]1)C)(OCCC)OCCC
• Title of publication: Bis(benzimidazole)amine vanadium catalysts for olefin polymerisation and co-polymerisation: thermally robust, single-site catalysts activated by simple alkylaluminium reagentsElectronic supplementary information (ESI) available: experimental procedures for 2 and 3 and polymerisation protocols. See http://www.rsc.org/suppdata/cc/b4/b407065h/
• Authors of publication: Tomov, Atanas K.; Gibson, Vernon C.; Zaher, Damien; Elsegood, Mark R. J.; Dale, Sophie H.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 17
• Pages of publication: 1956 - 1957
• a: 9.4522 ± 0.0005 Å
• b: 24.2311 ± 0.0013 Å
• c: 10.2669 ± 0.0006 Å
• α: 90°
• β: 92.921 ± 0.002°
• γ: 90°
• Cell volume: 2348.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No