Information card for entry 4346268

Structure parameters

• Formula: C48 H120 Cu12 P8 S6
• Calculated formula: C48 H120 Cu12 P8 S6
• Title of publication: Luminescence in phosphine-stabilized copper chalcogenide cluster molecules‒a comparative study.
• Authors of publication: Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9413 - 9422
• a: 12.0912 ± 0.0005 Å
• b: 12.598 ± 0.0005 Å
• c: 15.0529 ± 0.0006 Å
• α: 65.941 ± 0.003°
• β: 67.992 ± 0.003°
• γ: 87.291 ± 0.004°
• Cell volume: 1926.03 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No