Information card for entry 4085533

Structure parameters

• Formula: C28 H24 Cl2 N2 Zn
• Calculated formula: C28 H24 Cl2 N2 Zn
• SMILES: C12C(c3c4c1cccc4ccc3)=[N](c1cc(cc(c1)C)C)[Zn](Cl)(Cl)[N]=2c1cc(cc(c1)C)C
• 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: 11.4539 ± 0.0004 Å
• b: 13.9416 ± 0.0004 Å
• c: 17.0847 ± 0.0005 Å
• α: 70.205 ± 0.003°
• β: 75.906 ± 0.003°
• γ: 88.921 ± 0.003°
• Cell volume: 2483.64 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No