Information card for entry 7105187

Structure parameters

• Formula: C10 H16 Cl Cu N4 S2
• Calculated formula: C10 H16 Cl Cu N4 S2
• SMILES: CN1C=CN(C)C1=[S][Cu]([S]=C1N(C)C=CN1C)Cl
• Title of publication: Bis(imidazoline-2-thione)-copper(I) catalyzed regioselective boron addition to internal alkynes.
• Authors of publication: Kim, Hye Ryung; Jung, Il Gu; Yoo, Kihyun; Jang, Kwonho; Lee, Eun Sun; Yun, Jaesook; Son, Seung Uk
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 758 - 760
• a: 10.437 ± 0.002 Å
• b: 9.403 ± 0.002 Å
• c: 16.115 ± 0.003 Å
• α: 90°
• β: 106.32 ± 0.014°
• γ: 90°
• Cell volume: 1517.7 ± 0.6 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: 0.062
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No