Information card for entry 7220598

Structure parameters

• Formula: C9 H12 Cu0.5 N5 O6 S
• Calculated formula: C9 H12 Cu0.5 N5 O6 S
• Title of publication: Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand
• Authors of publication: Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 27
• Pages of publication: 5054
• a: 13.8786 ± 0.0008 Å
• b: 13.6808 ± 0.0006 Å
• c: 16.6792 ± 0.0011 Å
• α: 90°
• β: 112.229 ± 0.003°
• γ: 90°
• Cell volume: 2931.5 ± 0.3 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: 0.0456
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No