Information card for entry 7035300

Structure parameters

• Formula: C27 H16 Cl4 F6 N2 O2 Zn
• Calculated formula: C27 H16 Cl4 F6 N2 O2 Zn
• SMILES: C12C(c3c4c1cccc4ccc3)=[N](c1ccc(cc1)OC(F)(F)F)[Zn](Cl)(Cl)[N]=2c1ccc(cc1)OC(F)(F)F.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: 11.8689 ± 0.0006 Å
• b: 14.1948 ± 0.0011 Å
• c: 17.6232 ± 0.0016 Å
• α: 107.262 ± 0.007°
• β: 92.978 ± 0.005°
• γ: 94.504 ± 0.005°
• Cell volume: 2817.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2289
• Weighted residual factors for all reflections included in the refinement: 0.2449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No