Information card for entry 7035292

Structure parameters

• Formula: C28 H24 Cl2 N2 O2 S2 Zn
• Calculated formula: C28 H24 Cl2 N2 O2 S2 Zn
• SMILES: C12C(c3c4c1cccc4ccc3)=[N](c1ccc(cc1)SC)[Zn]([N]=2c1ccc(cc1)SC)(Cl)Cl.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: 13.036 ± 0.003 Å
• b: 11.721 ± 0.0015 Å
• c: 17.716 ± 0.002 Å
• α: 90°
• β: 98.657 ± 0.016°
• γ: 90°
• Cell volume: 2676.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.3689
• Residual factor for significantly intense reflections: 0.1556
• Weighted residual factors for significantly intense reflections: 0.3454
• Weighted residual factors for all reflections included in the refinement: 0.3854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No