Information card for entry 8105402

Structure parameters

• Formula: C18 H20 Cu N4 O9 S
• Calculated formula: C18 H20 Cu N4 O9 S
• Title of publication: Crystal structure of aqua-(2,2′-bipyridine-κ2 N,N′)(((3-nitrophenyl)sulfonyl)glycine-κ2 N,O)copper(II) dihydrate, C18H20CuN4O9S
• Authors of publication: Chen, Xiao-Miao; Liu, Zheng-Jun; Zhao, Rong-Fei; Cheng, Jing-Song; Qin, Lan; Long, Zhang-Di
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1141 - 1143
• a: 16.4177 ± 0.0005 Å
• b: 17.9018 ± 0.0005 Å
• c: 7.458 ± 0.0002 Å
• α: 90°
• β: 90.49 ± 0.003°
• γ: 90°
• Cell volume: 2191.87 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No