Information card for entry 8105595

Structure parameters

• Formula: C38 H48 N2 O26 S2 Zn
• Calculated formula: C38 H48 N2 O26 S2 Zn
• Title of publication: Synthesis and crystal structure of trans-tetraaqua-bis(3-(((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)ammonio)propanoato-κO)zinc(II) tetrahydrate, C38H48N2O26S2Zn
• Authors of publication: Chen, Hai-Lin; Pan, Li-Wei; Qin, Yong-Ling; Xie, Yan-Jun; Zhang, Peng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 217 - 219
• a: 15.7219 ± 0.0007 Å
• b: 8.0394 ± 0.0004 Å
• c: 17.1968 ± 0.0008 Å
• α: 90°
• β: 92.21 ± 0.004°
• γ: 90°
• Cell volume: 2171.97 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No