Information card for entry 7024844

Structure parameters

• Formula: C22 H30 Cl2 N8 O10 Zn
• Calculated formula: C22 H30 Cl2 N8 O10 Zn
• SMILES: [Zn]123([n]4c(cn(c5ccccc5)n4)C[N]3(CC[N]2(Cc2[n]1nn(c1ccccc1)c2)C)C)([OH2])[OH2].Cl(=O)(=O)(=O)[O-].[O-]Cl(=O)(=O)=O
• Title of publication: "Click" tetradentate ligands.
• Authors of publication: Hao, Erhong; Wang, Zhaoyun; Jiao, Lijuan; Wang, Shaowu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2660 - 2666
• a: 16.116 ± 0.0012 Å
• b: 11.5326 ± 0.0008 Å
• c: 18.0774 ± 0.0013 Å
• α: 90°
• β: 113.098 ± 0.001°
• γ: 90°
• Cell volume: 3090.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No