Information card for entry 7203730

Structure parameters

• Formula: C9 H19 Cl2 N2 Na O6 S Zn
• Calculated formula: C9 H19 Cl2 N2 Na O6 S Zn
• SMILES: [Zn]12(Cl)[Cl][Na]3(OS(=O)(=O)CC[NH]2CCc2[n]1cccc2)([OH2])([OH2])[OH2][Na]1(OS(=O)(=O)CC[NH]([Zn]2(Cl)[Cl]1)CCc1[n]2cccc1)([OH2])([OH2])[OH2]3
• Title of publication: Syntheses of water-soluble N-donor ligands for aqueous catalysis using green, Michael-type addition reactions
• Authors of publication: Liang, Hong-Chang; Das, Sanjib K.; Galvan, Juan R.; Sato, Suzanne M.; Zhang, Yonglian; Zakharov, Lev N.; Rheingold, Arnold L.
• Journal of publication: Green Chemistry
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 410
• a: 18.3353 ± 0.001 Å
• b: 7.6965 ± 0.0004 Å
• c: 12.7734 ± 0.0007 Å
• α: 90°
• β: 104.148 ± 0.001°
• γ: 90°
• Cell volume: 1747.88 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0348
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No