Information card for entry 7102050

Structure parameters

• Common name: Cu11In6S22 cluster + 1.5 toluene
• Formula: C70.5 H147 Cu11 In6 S22
• Calculated formula: C70.5 H147 Cu11 In6 S22
• Title of publication: A photochemical route to discrete, ternary metal chalcogenide clusters.
• Authors of publication: Williams, Mark; Okasha, Rawda M; Nairn, Justin; Twamley, Brendan; Afifi, Tarek H; Shapiro, Pamela J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 30
• Pages of publication: 3177 - 3179
• a: 25.295 ± 0.005 Å
• b: 19.684 ± 0.004 Å
• c: 23.29 ± 0.005 Å
• α: 90°
• β: 100.149 ± 0.004°
• γ: 90°
• Cell volume: 11415 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No