Information card for entry 7714898

Structure parameters

• Formula: C100 H78 Ag8 Cl2 N12 O56 Ti12
• Calculated formula: C100 H78 Ag8 Cl2 N12 O56 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: 16.3284 ± 0.0002 Å
• b: 30.6769 ± 0.0003 Å
• c: 15.5639 ± 0.0002 Å
• α: 90°
• β: 111.798 ± 0.001°
• γ: 90°
• Cell volume: 7238.6 ± 0.16 ų
• Cell temperature: 100 ± 0.4 K
• Ambient diffraction temperature: 100 ± 0.4 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.246
• Weighted residual factors for all reflections included in the refinement: 0.2533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No