Information card for entry 7210241

Structure parameters

• Common name: Zn2(3-tzbd)4(phen)2
• Formula: C56 H36 N20 O4 Zn2
• Calculated formula: C56 H36 N20 O4 Zn2
• SMILES: c1(c2cc(ccc2)C=O)nnn(n1)[Zn]12(n3nc(c4cccc(c4)C=O)n[n]3[Zn]3(n4nnc(c5cccc(c5)C=O)n4)(n4nc(c5cccc(c5)C=O)n[n]24)[n]2cccc4c2c2c(cc4)ccc[n]32)[n]2cccc3c2c2c(cc3)ccc[n]12
• Title of publication: Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties
• Authors of publication: Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 35
• Pages of publication: 7038
• a: 9.5171 ± 0.0004 Å
• b: 11.409 Å
• c: 12.9728 ± 0.0001 Å
• α: 69.741 ± 0.01°
• β: 77.556 ± 0.012°
• γ: 80.174 ± 0.012°
• Cell volume: 1283.3 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No