Information card for entry 2218348

Structure parameters

• Chemical name: Di-μ-thiosemicarbazide-κ^4^S:S-bis[bis(thiosemicarbazide-κS)copper(I)] diiodide
• Formula: C6 H30 Cu2 I2 N18 S6
• Calculated formula: C6 H30 Cu2 I2 N18 S6
• SMILES: C(N)(NN)=[S][Cu]12([S](=C(N)NN)[Cu]2([S]=C(N)NN)([S]1=C(N)NN)[S]=C(N)NN)[S]=C(N)NN.[I-].[I-]
• Title of publication: Di-μ-thiosemicarbazide-κ^4^<i>S</i>:<i>S</i>-bis[bis(thiosemicarbazide-κ<i>S</i>)copper(I)] diiodide
• Authors of publication: Jia, Li; Ma, Shou-Xin; Li, Da-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m820
• a: 16.437 ± 0.004 Å
• b: 8.4174 ± 0.0015 Å
• c: 22.546 ± 0.004 Å
• α: 90°
• β: 105.385 ± 0.005°
• γ: 90°
• Cell volume: 3007.6 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes