Information card for entry 2234034

Structure parameters

• Chemical name: Bis(4-methyl-<i>N</i>-{(2<i>Z</i>,4<i>E</i>)-4-[(4-methylphenyl)imino]pent-2- en-2-yl}anilinido)zinc
• Formula: C38 H42 N4 Zn
• Calculated formula: C38 H42 N4 Zn
• SMILES: [Zn]12([N](=C(C)C=C(C)N1c1ccc(cc1)C)c1ccc(cc1)C)N(C(=CC(C)=[N]2c1ccc(cc1)C)C)c1ccc(cc1)C
• Title of publication: Bis(4-methyl-<i>N</i>-{(2<i>Z</i>,4<i>E</i>)-4-[(4-methylphenyl)imino]pent-2-en-2-yl}anilinido)zinc
• Authors of publication: Vaughan, Benjamin A.; Wetherby, Anthony E.; Waterman, Rory
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m343
• a: 14.1266 ± 0.0013 Å
• b: 18.8197 ± 0.0017 Å
• c: 25.059 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6662.1 ± 1 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes