Information card for entry 4346269

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: 12.335 ± 0.003 Å
• b: 12.251 ± 0.003 Å
• c: 15.14 ± 0.003 Å
• α: 65.81 ± 0.03°
• β: 65.57 ± 0.03°
• γ: 84.91 ± 0.03°
• Cell volume: 1891.1 ± 1 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: 0.0377
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No