Information card for entry 7035288

Structure parameters

• Formula: C32 H32 Cl2 N2 O2 Zn
• Calculated formula: C32 H32 Cl2 N2 O2 Zn
• SMILES: C12C(c3c4c1cccc4ccc3)=[N](c1ccc(cc1)OCCCC)[Zn](Cl)(Cl)[N]=2c1ccc(cc1)OCCCC
• 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: 18.3252 ± 0.0003 Å
• b: 11.6963 ± 0.0002 Å
• c: 26.74 ± 0.0004 Å
• α: 90°
• β: 97.067 ± 0.001°
• γ: 90°
• Cell volume: 5687.83 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No