Information card for entry 7015170

Structure parameters

• Formula: C42 H30 N8
• Calculated formula: C42 H30 N8
• SMILES: N(=C1C(=Nc2ccccc2c2nnn(c2)Cc2ccccc2)c2c3c1cccc3ccc2)c1ccccc1c1nnn(c1)Cc1ccccc1
• 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: 9.264 ± 0.003 Å
• b: 11.425 ± 0.003 Å
• c: 16.053 ± 0.005 Å
• α: 79.809 ± 0.018°
• β: 82.01 ± 0.017°
• γ: 83.249 ± 0.019°
• Cell volume: 1648.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2017
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No