Information card for entry 2223948

Structure parameters

• Chemical name: <i>cis</i>-Diaquabis(2,2',2''-tripyridylamine)zinc(II) bis(perchlorate)
• Formula: C30 H28 Cl2 N8 O10 Zn
• Calculated formula: C30 H28 Cl2 N8 O10 Zn
• SMILES: c12cccc[n]2[Zn]2([n]3c(N1c1ncccc1)cccc3)([OH2])([n]1c(cccc1)N(c1cccc[n]21)c1ncccc1)[OH2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: <i>cis</i>-Diaquabis(2,2',2''-tripyridylamine)zinc(II) bis(perchlorate)
• Authors of publication: Wang, Shi; Ding, Xuehua; He, Wenrui; Huang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1424
• a: 18.687 ± 0.003 Å
• b: 19.305 ± 0.004 Å
• c: 10.891 ± 0.0019 Å
• α: 90°
• β: 121.689 ± 0.003°
• γ: 90°
• Cell volume: 3343.2 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0882
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes