Information card for entry 7015167

Structure parameters

• Formula: C17 H16 N4 O
• Calculated formula: C17 H16 N4 O
• SMILES: O=C(Nc1ccccc1c1nnn(c1)Cc1ccccc1)C
• Title of publication: New tetradentate N,N,N,N-chelating α-diimine ligands and their corresponding zinc and nickel complexes: synthesis, characterisation and testing as olefin polymerisation catalysts.
• Authors of publication: Li, Lidong; Gomes, Clara S. B.; Gomes, Pedro T.; Duarte, M. Teresa; Fan, Zhiqiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 13
• Pages of publication: 3365 - 3380
• a: 9.1248 ± 0.0013 Å
• b: 19.257 ± 0.002 Å
• c: 8.5252 ± 0.0013 Å
• α: 90°
• β: 100.611 ± 0.009°
• γ: 90°
• Cell volume: 1472.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No