Information card for entry 2206873

Structure parameters

• Chemical name: tetrakis(tert-butylisocyanide)copper(I) chloride monohydrate
• Formula: C20 H38 Cl Cu N4 O
• Calculated formula: C20 H38 Cl Cu N4 O
• Title of publication: Tetrakis(<i>tert</i>-butyl isocyanide)copper(I) chloride monohydrate
• Authors of publication: Imhof, Wolfgang; Halbauer, Kathi; Görls, Helmar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m1995 - m1997
• a: 22.3933 ± 0.0009 Å
• b: 5.6174 ± 0.0002 Å
• c: 22.3033 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2805.58 ± 0.18 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.1251
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes