Information card for entry 7714899

Structure parameters

• Formula: C126 H72 Ag6 N12 O56 Ti12
• Calculated formula: C114 H78 Ag6 N12 O54 Ti12
• Title of publication: Structure and optical limiting effects of heterometallic Ag₆@Ti₁₂ and Ag₈@Ti₁₂ oxo clusters regulated by alkynyl ligands.
• Authors of publication: Rong, Li-Jun; Ye, Yu-Ting; Lin, Xin; Sun, Xiaohui; Chen, Shumei; Zhang, Jian; Zhang, Lei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 1947 - 1950
• a: 27.7454 ± 0.0003 Å
• b: 27.7454 ± 0.0003 Å
• c: 42.2217 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 28148.1 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No