Information card for entry 7035291

Structure parameters

• Formula: C27 H22 Cl4 N2 O2 Zn
• Calculated formula: C27 H22 Cl4 N2 O2 Zn
• SMILES: C12C(c3c4c1cccc4ccc3)=[N](c1ccc(cc1)OC)[Zn]([N]=2c1ccc(cc1)OC)(Cl)Cl.C(Cl)Cl
• 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: 13.84 ± 0.005 Å
• b: 11.647 ± 0.004 Å
• c: 17.844 ± 0.006 Å
• α: 90°
• β: 111.446 ± 0.004°
• γ: 90°
• Cell volume: 2677.2 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No