Information card for entry 7035290

Structure parameters

• Formula: C28 H24 Cl2 N2 O4 Zn
• Calculated formula: C28 H24 Cl2 N2 O4 Zn
• SMILES: C12C(c3c4c1cccc4ccc3)=[N](c1ccc(cc1)OC)[Zn](Cl)(Cl)[N]=2c1ccc(cc1)OC.C(=O)(C)O
• Title of publication: Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.
• Authors of publication: Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11984 - 11996
• a: 12.451 ± 0.0003 Å
• b: 11.7454 ± 0.0003 Å
• c: 17.4508 ± 0.0004 Å
• α: 90°
• β: 95.969 ± 0.002°
• γ: 90°
• Cell volume: 2538.2 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No