Information card for entry 4346267

Structure parameters

• Formula: C156 H144 Cu12 P8 Se6
• Calculated formula: C156 H144 Cu12 P8 Se6
• 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: 17.944 ± 0.004 Å
• b: 18.566 ± 0.004 Å
• c: 23.845 ± 0.005 Å
• α: 83.6 ± 0.03°
• β: 81.32 ± 0.03°
• γ: 71.96 ± 0.03°
• Cell volume: 7449 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0849
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No