Information card for entry 7251276

Structure parameters

• Formula: C60 H52 Ag6 Co2 I11 N13
• Calculated formula: C60 H52.0008 Ag6 Co2 I11 N13
• Title of publication: Two semiconductive haloargentates with metal-complex cations: Crystal structures, band gaps, photocurrent responses and theoretical investigations
• Authors of publication: Xie, Shu-Yue; Liu, Ming-Hui; Wang, Ning; Zhang, Xi-Meng; Wang, Shen-Hao; Yang, Yan; Li, Jun; Zhang, Bo
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 14.4809 ± 0.0013 Å
• b: 14.4809 ± 0.0013 Å
• c: 31.006 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5630.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No