Information card for entry 4507260

Structure parameters

• Formula: C31 H31 Ag3 N6 O
• Calculated formula: C31 H31 Ag3 N6 O
• SMILES: [Ag]1n2c(C)cc(c3ccccc3)[n]2[Ag]n2c(C)cc(c3ccccc3)[n]2[Ag]n2c(C)cc(c3ccccc3)[n]12.CO
• 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: 7.617 ± 0.006 Å
• b: 14.224 ± 0.011 Å
• c: 15.311 ± 0.012 Å
• α: 108.204 ± 0.009°
• β: 102.225 ± 0.01°
• γ: 90.82 ± 0.01°
• Cell volume: 1534 ± 2 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: 0.0663
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No