Information card for entry 4085534

Structure parameters

• Formula: C30 H28 Cl2 N2 Zn
• Calculated formula: C30 H28 Cl2 N2 Zn
• SMILES: C12C(c3c4c1cccc4ccc3)=[N](c1c(cc(cc1C)C)C)[Zn](Cl)(Cl)[N]=2c1c(cc(cc1C)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: 8.8029 ± 0.0005 Å
• b: 16.3249 ± 0.0009 Å
• c: 9.4998 ± 0.0005 Å
• α: 90°
• β: 99.664 ± 0.005°
• γ: 90°
• Cell volume: 1345.81 ± 0.13 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No