Information card for entry 7227490

Structure parameters

• Formula: C36 H26 Cl4 N8 Zn2
• Calculated formula: C36 H26 Cl4 N8 Zn2
• SMILES: c1cccc2[n]1[Zn]1(Cl)([n]3c([C@@H]2[C@H]2c4cccc[n]4[Zn]4([n]5c2c2ccccn2c5c2[n]4cccc2)(Cl)Cl)c2ccccn2c3c2[n]1cccc2)Cl
• 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: 8.73 ± 0.002 Å
• b: 13.047 ± 0.004 Å
• c: 15.56 ± 0.004 Å
• α: 90°
• β: 96.344 ± 0.003°
• γ: 90°
• Cell volume: 1761.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No