Information card for entry 7716894

Structure parameters

• Formula: C78 H72 Cu9 O12 P3 S6
• Calculated formula: C78 H72 Cu9 O12 P3 S6
• Title of publication: Ligand effects in photoluminescence of copper nanoclusters.
• Authors of publication: Du, Peiling; Sachurilatu, ?; Jiang, Wenya; Wei, Jianyu; Li, Simin; Shen, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 36
• Pages of publication: 15190 - 15197
• a: 19.0435 ± 0.0001 Å
• b: 18.4876 ± 0.0001 Å
• c: 22.3002 ± 0.0002 Å
• α: 90°
• β: 100.88 ± 0.001°
• γ: 90°
• Cell volume: 7710.07 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No