Information card for entry 7209687

Structure parameters

• Formula: C28 H44 Cl8 N8 O4 Zn4
• Calculated formula: C28 H36 Cl8 N8 O4 Zn4
• SMILES: C1C[NH]2Cc3cc[n](cc3)[Zn]([n]3ccc(C[NH]4CC[NH](Cc5cc[n](cc5)[Zn]([n]5ccc(C[NH]1[Zn]2(Cl)Cl)cc5)(Cl)Cl)[Zn]4(Cl)Cl)cc3)(Cl)Cl.O.O.O.O
• Title of publication: Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties
• Authors of publication: Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 2714
• a: 9.377 ± 0.003 Å
• b: 11.834 ± 0.004 Å
• c: 12.956 ± 0.004 Å
• α: 64.086 ± 0.01°
• β: 79.02 ± 0.014°
• γ: 71.274 ± 0.012°
• Cell volume: 1222.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No