Information card for entry 7017148

Structure parameters

• Common name: (tetrakisacetonitrile-bis(mu-1,2,4-triazolo(1,5- a)pyrimidine)disilver(i)) bis(perchlorate)
• Chemical name: [tetrakisacetonitrile-bis(μ-1,2,4-triazolo[1,5-a]pyrimidine)disilver(I)] bis(perchlorate)
• Formula: C18 H20 Ag2 Cl2 N12 O8
• Calculated formula: C18 H20 Ag2 Cl2 N12 O8
• SMILES: [Ag]1([n]2cccn3nc[n](c23)[Ag]([n]2cccn3nc[n]1c23)([N]#CC)[N]#CC)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Dinuclear silver(i) complexes for the design of metal-ligand networks based on triazolopyrimidines.
• Authors of publication: Caballero, Ana B.; Maclaren, Jana K.; Rodríguez-Diéguez, Antonio; Vidal, Isaac; Dobado, Jose A.; Salas, Juan M.; Janiak, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11845 - 11855
• a: 6.3253 ± 0.0001 Å
• b: 10.7545 ± 0.0002 Å
• c: 11.5478 ± 0.0008 Å
• α: 110.093 ± 0.008°
• β: 100.489 ± 0.007°
• γ: 90.426 ± 0.006°
• Cell volume: 723.32 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No