Information card for entry 7227492

Structure parameters

• Formula: C36 H26 N20 Zn2
• Calculated formula: C36 H26 N20 Zn2
• SMILES: [Zn]12([n]3c(c4ccccn4c3[C@H]([C@H]3c4[n]5[Zn]([n]6c3cccc6)([n]3c(c5n5ccccc45)cccc3)(N=N#N)N=N#N)c3[n]1cccc3)c1[n]2cccc1)(N=N#N)N=N#N.[Zn]12([n]3c(c4ccccn4c3[C@@H]([C@@H]3c4[n]5[Zn]([n]6c3cccc6)([n]3c(c5n5ccccc45)cccc3)(N=N#N)N=N#N)c3[n]1cccc3)c1[n]2cccc1)(N=N#N)N=N#N
• 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: 8.884 ± 0.002 Å
• b: 19.73 ± 0.005 Å
• c: 21.404 ± 0.006 Å
• α: 90°
• β: 93.623 ± 0.004°
• γ: 90°
• Cell volume: 3744.2 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1211
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No