Information card for entry 7227493

Structure parameters

• Formula: C18 H14 Cl2 N4 Zn
• Calculated formula: C18 H14 Cl2 N4 Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3ccccc3Cc3[n]1c(n1c3cccc1)c1[n]2cccc1
• Title of publication: Formation and conversion of six temperature-dependent fluorescent ZnII-complexes containing two in situ formed N-rich heterocyclic ligands
• Authors of publication: Wei, Qin; Wei, Mei-Juan; Ou, Yan-Jun; Zhang, Ji-Yuan; Huang, Xia; Cai, Yue-Peng; Si, Li-Ping
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 6994
• a: 7.229 ± 0.003 Å
• b: 14.023 ± 0.006 Å
• c: 19.027 ± 0.007 Å
• α: 90°
• β: 95.403 ± 0.005°
• γ: 90°
• Cell volume: 1920.2 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No