Information card for entry 7709859

Structure parameters

• Formula: C88 H80 Cu4 N16 O8 P4 S4
• Calculated formula: C88 H80 Cu4 N16 O8 P4 S4
• Title of publication: Rational construction of a triphenylphosphine-modified tetra-nuclear Cu(i) coordinated cluster for enhanced chemodynamic therapy
• Authors of publication: You, Xin; Hong, Zhao-Guo; Shi, Sheng-Mei; Bian, He-Dong; Zhang, Yun-Liang; Zhang, Liang-Liang; Huang, Fu-Ping; Zhao, Shu-Lin; Liang, Hong
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 29.1737 ± 0.00017 Å
• b: 11.66423 ± 0.00005 Å
• c: 29.95363 ± 0.00018 Å
• α: 90°
• β: 115.64 ± 0.0007°
• γ: 90°
• Cell volume: 9189.17 ± 0.1 ų
• Cell temperature: 295.72 ± 0.11 K
• Ambient diffraction temperature: 295.72 ± 0.11 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No