Information card for entry 8105048

Structure parameters

• Formula: C13 H15 N O8 S Zn
• Calculated formula: C13 H15 N O8 S Zn
• Title of publication: Crystal structure of bis[triaqua-(μ2-1,2-di(4-pyridyl)ethylene-κ2N:N′)-(4-sulfonatobenzoato-κ2O,O′)zinc(II)], C13H15NO8SZn
• Authors of publication: Li, Xiao-Ling; Xin, Ling-Yun; Yu, Yue-Yi; Yang, Qing-Qing; Liu, Meng-Ke
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 169 - 170
• a: 12.3456 ± 0.0003 Å
• b: 13.768 ± 0.0004 Å
• c: 19.9125 ± 0.0005 Å
• α: 90°
• β: 107.051 ± 0.002°
• γ: 90°
• Cell volume: 3235.84 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No