Information card for entry 4346271

Structure parameters

• Formula: C120 H180 Cu24 P12 S12
• Calculated formula: C120 H180 Cu24 P12 S12
• 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: 14.807 ± 0.006 Å
• b: 16.715 ± 0.007 Å
• c: 18.188 ± 0.007 Å
• α: 114.897 ± 0.004°
• β: 91.888 ± 0.004°
• γ: 110.2 ± 0.004°
• Cell volume: 3747 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.8 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No