Information card for entry 4507263

Structure parameters

• Formula: C21 H30 Ag3 Br3 N6
• Calculated formula: C21 H30 Ag3 Br3 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: 11.144 ± 0.018 Å
• b: 11.983 ± 0.009 Å
• c: 13.076 ± 0.01 Å
• α: 113.598 ± 0.01°
• β: 100.645 ± 0.013°
• γ: 101.305 ± 0.013°
• Cell volume: 1500 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No