Information card for entry 7227491

Structure parameters

• Formula: C36 H28 Cl4 N8 O Zn2
• Calculated formula: C36 H26 Cl4 N8 Zn2
• SMILES: [n]12c(cccc1)c1[n]3[Zn]2([n]2ccccc2[C@@H]([C@@H]2c4cccc[n]4[Zn]4([n]5c2c2ccccn2c5c2[n]4cccc2)(Cl)Cl)c3c2ccccn12)(Cl)Cl.[n]12c(cccc1)c1[n]3[Zn]2([n]2ccccc2[C@H]([C@H]2c4cccc[n]4[Zn]4([n]5c2c2ccccn2c5c2[n]4cccc2)(Cl)Cl)c3c2ccccn12)(Cl)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: 22.85 ± 0.03 Å
• b: 14.997 ± 0.018 Å
• c: 14.976 ± 0.019 Å
• α: 90°
• β: 127.339 ± 0.014°
• γ: 90°
• Cell volume: 4080 ± 9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No