Information card for entry 4318067

Structure parameters

• Formula: C9 H13 Cu N O7 S
• Calculated formula: C9 H9 Cu N O7 S
• 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: 6.2058 ± 0.0008 Å
• b: 11.4263 ± 0.0015 Å
• c: 17.959 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1273.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No