Information card for entry 4507258

Structure parameters

• Formula: C46.5 H36.5 Ag3 N6
• Calculated formula: C46.5 H33 Ag3 N6
• 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: 11.806 ± 0.007 Å
• b: 13.182 ± 0.008 Å
• c: 14.862 ± 0.009 Å
• α: 100.076 ± 0.007°
• β: 101.519 ± 0.007°
• γ: 107.103 ± 0.007°
• Cell volume: 2098 ± 2 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: 0.0441
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No