Information card for entry 4318065

Structure parameters

• Formula: C9 H13 N O6 S
• Calculated formula: C9 H13 N O6 S
• SMILES: S(=O)(=O)([O-])c1ccc(C[C@H]([NH3+])C(=O)O)cc1.O
• Title of publication: Two Chiral Coordination Polymers: Preparation and X-ray Structures of Mono(4-sulfo-l-phenylalanine)(diaqua) Zinc(II) and Copper(II) Complexes
• Authors of publication: Yong-Rong Xie; Ren-Gen Xiong; Xiang Xue; Xue-Tai Chen; Ziling Xue; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3323 - 3326
• a: 6.5297 ± 0.0009 Å
• b: 7.6212 ± 0.0015 Å
• c: 11.6114 ± 0.0014 Å
• α: 90°
• β: 93.637 ± 0.01°
• γ: 90°
• Cell volume: 576.67 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No