Information card for entry 4507264

Structure parameters

• Formula: C27 H18 Ag3 Cl3 N6
• Calculated formula: C27 H18 Ag3 Cl3 N6
• SMILES: [Ag]1n2[n]([Ag]n3[n]([Ag]n4[n]1c(cc4)c1c(Cl)cccc1)c(cc3)c1c(Cl)cccc1)c(cc2)c1c(Cl)cccc1
• 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: 7.624 ± 0.006 Å
• b: 14.456 ± 0.012 Å
• c: 14.713 ± 0.012 Å
• α: 114.799 ± 0.008°
• β: 91.26 ± 0.01°
• γ: 94.63 ± 0.01°
• Cell volume: 1464 ± 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: 0.1013
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No