Information card for entry 7023435

Structure parameters

• Formula: C128 H92 Ag6 Cl6 N12 S8
• Calculated formula: C128 H92 Ag6 Cl6 N12 S8
• Title of publication: Trigonal prismatic Cu(i) and Ag(i) pyrazolato nanocage hosts: encapsulation of S8 and hydrocarbon guests.
• Authors of publication: Duan, Peng-Cheng; Wang, Zhao-Yang; Chen, Jing-Huo; Yang, Guang; Raptis, Raphael G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 42
• Pages of publication: 14951 - 14954
• a: 17.177 ± 0.003 Å
• b: 17.497 ± 0.004 Å
• c: 24.759 ± 0.005 Å
• α: 89.38 ± 0.03°
• β: 71 ± 0.03°
• γ: 60.76 ± 0.03°
• Cell volume: 6039 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No