Information card for entry 7229261

Structure parameters

• Formula: C6 H10 Cu2 N8 S2
• Calculated formula: C6 H10 Cu2 N8 S2
• Title of publication: Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization
• Authors of publication: Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 10.8318 ± 0.0005 Å
• b: 6.4924 ± 0.0003 Å
• c: 17.1002 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1202.56 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No