Information card for entry 4507259

Structure parameters

• Formula: C60 H54 Ag6 N12
• Calculated formula: C60 H54 Ag6 N12
• Title of publication: Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers
• Authors of publication: Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 264
• a: 14.082 ± 0.004 Å
• b: 15.035 ± 0.004 Å
• c: 16.149 ± 0.005 Å
• α: 115.984 ± 0.006°
• β: 100.687 ± 0.005°
• γ: 100.292 ± 0.006°
• Cell volume: 2886.5 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No