Information card for entry 7227488

Structure parameters

• Formula: C36 H26 N20 Zn2
• Calculated formula: C36 H26 N20 Zn2
• SMILES: c1cccc2[n]1[Zn]1([n]3c2c2ccccn2c3[C@@H]([C@H]2c3[n]4c(c5cccc[n]5[Zn]4([n]4c2cccc4)(N=N#N)N=N#N)c2ccccn32)c2[n]1cccc2)(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: 8.0218 ± 0.0008 Å
• b: 10.0798 ± 0.001 Å
• c: 11.6154 ± 0.0012 Å
• α: 83.984 ± 0.001°
• β: 83.174 ± 0.001°
• γ: 76.697 ± 0.001°
• Cell volume: 904.6 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No