Information card for entry 7718659

Structure parameters

• Formula: C202 H208 Cl5 Cu18 P4 S16
• Calculated formula: C202 H208 Cl5 Cu18 P4 S16
• Title of publication: A chloride-doped Cu₁₈ nanocluster: synthesis, bonding and nonlinear optical properties.
• Authors of publication: Gong, Xuekun; Zheng, Chan; Zuo, Dongjie; Li, Simin; Fang, Wei-Hui; Shen, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 9368 - 9375
• a: 27.4052 ± 0.0003 Å
• b: 27.2127 ± 0.0004 Å
• c: 27.7815 ± 0.0004 Å
• α: 90°
• β: 92.093 ± 0.001°
• γ: 90°
• Cell volume: 20704.8 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1468
• Residual factor for significantly intense reflections: 0.1101
• Weighted residual factors for significantly intense reflections: 0.3417
• Weighted residual factors for all reflections included in the refinement: 0.3924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No