Information card for entry 7103722

Structure parameters

• Formula: C9 H7 Cu N O4.5 S0.5
• Calculated formula: C9 H5.5 Cu N O4.5 S0.5
• Authors of publication: Daofeng Sun; Rong Cao; Wenhua Bi; Daqiang Yuan; Qian Shi; Xing Li
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 10.9368 ± 0.001 Å
• b: 16.2104 ± 0.0016 Å
• c: 10.7803 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1911.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No