Information card for entry 2007188

Structure parameters

• Chemical name: Tris(N,N'-diethylthiourea)copper(I)Iodide
• Formula: C15 H36 Cu I N6 S3
• Calculated formula: C15 H36 Cu I N6 S3
• SMILES: I[Cu]([S]=C(NCC)NCC)([S]=C(NCC)NCC)[S]=C(NCC)NCC
• Title of publication: Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I)
• Authors of publication: Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 453 - 456
• a: 12.686 ± 0.001 Å
• b: 12.686 ± 0.001 Å
• c: 9.314 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1298.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for all reflections: 0.994
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No