Information card for entry 7015171

Structure parameters

• Formula: C40 H26 N8
• Calculated formula: C40 H26 N8
• SMILES: N(=C1C(=Nc2ccccc2c2nnn(c2)c2ccccc2)c2c3c1cccc3ccc2)c1ccccc1c1nnn(c1)c1ccccc1
• 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: 14.515 ± 0.0018 Å
• b: 11.79 ± 0.0014 Å
• c: 18.222 ± 0.002 Å
• α: 90°
• β: 101.602 ± 0.005°
• γ: 90°
• Cell volume: 3054.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.1021
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No