Information card for entry 2007901

Structure parameters

• Chemical name: Tetracyclo-Tri-μ-(N-ethylthiourea)-tris(iodocopper(I)) Monohydrate
• Formula: C18 H50 Cu4 I4 N12 O S6
• Calculated formula: C18 H48 Cu4 I4 N12 O S6
• Title of publication: Hexakis(μ-<i>N</i>-ethylthiourea-<i>S</i>)tetrakis[iodocopper(I)] Monohydrate
• Authors of publication: Chaveng Pakawatchai; Yupa Thanyasirikul; Tapanee Saepae; Suwaluk Pansook; Hoong-Kun Fun; Kandasamy Chinnakali
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1750 - 1752
• a: 11.1794 ± 0.0009 Å
• b: 18.505 ± 0.002 Å
• c: 22.409 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4635.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.0783
• Goodness-of-fit parameter for all reflections: 0.794
• Goodness-of-fit parameter for significantly intense reflections: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No