Information card for entry 8106169

Structure parameters

• Formula: C18 H18 N Na O11 S
• Calculated formula: C18 H18 N Na O11 S
• Title of publication: Synthesis and crystal structure poly[aqua(μ3-2-(((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)ammonio)acetate-κ4 O,O′:O′′:O′′′) sodium] monohydrate, C18H18NNaO11S
• Authors of publication: Chen, Hai-Lin; Lai, Hong-Fang; Qin, Yong-Ling; Guo, Yue-Ning; Chen, Ting; Huang, Xiao-Yuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 417 - 419
• a: 8.2627 ± 0.0012 Å
• b: 8.649 ± 0.0011 Å
• c: 14.1791 ± 0.0017 Å
• α: 82.883 ± 0.01°
• β: 76.954 ± 0.012°
• γ: 69.729 ± 0.012°
• Cell volume: 924.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No