Information card for entry 4085532

Structure parameters

• Formula: C26 H20 Cl2 N2 Zn
• Calculated formula: C26 H20 Cl2 N2 Zn
• SMILES: [Zn]1(Cl)(Cl)[N](c2ccc(C)cc2)=C2C(=[N]1c1ccc(cc1)C)c1cccc3cccc2c13
• Title of publication: Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents
• Authors of publication: Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2422
• a: 17.6901 ± 0.0006 Å
• b: 11.7401 ± 0.0003 Å
• c: 23.2316 ± 0.001 Å
• α: 90°
• β: 104.191 ± 0.004°
• γ: 90°
• Cell volume: 4677.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No