Information card for entry 4345003

Structure parameters

• Formula: C58 H42 N4 O2 Zn
• Calculated formula: C58 H42 N4 O2 Zn
• SMILES: c1(ccccc1)C(c1ccccc1)(c1ccccc1)/N=C/c1ccc2cccc3c2[n]1[Zn]1([n]2c(/C=N/C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc4cccc(c24)O1)O3
• Title of publication: Coordination-Directed Stacking and Aggregation-Induced Emission Enhancement of the Zn(II) Schiff Base Complex.
• Authors of publication: Wang, Dan; Li, Shu-Mu; Zheng, Jian-Quan; Kong, Duan-Yang; Zheng, Xiang-Jun; Fang, De-Cai; Jin, Lin-Pei
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 984 - 990
• a: 12.4104 ± 0.001 Å
• b: 14.5587 ± 0.0012 Å
• c: 15.0577 ± 0.0012 Å
• α: 112.147 ± 0.001°
• β: 93.025 ± 0.002°
• γ: 110.657 ± 0.002°
• Cell volume: 2303.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No