Information card for entry 7035301

Structure parameters

• Formula: C52 H28 Cl4 F12 N4 Zn2
• Calculated formula: C52 H28 Cl4 F12 N4 Zn2
• 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: 11.9861 ± 0.0017 Å
• b: 14.427 ± 0.0017 Å
• c: 16.0295 ± 0.0014 Å
• α: 99.188 ± 0.009°
• β: 102.008 ± 0.011°
• γ: 114.266 ± 0.013°
• Cell volume: 2376.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1975
• Residual factor for significantly intense reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.2856
• Weighted residual factors for all reflections included in the refinement: 0.3387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No