Information card for entry 4323124

Structure parameters

• Common name: [24 Pyrimidinium Crown-6] dinitrate tetra-dicyanoaurate
• Formula: C44 H52 Au4 N28 O8
• Calculated formula: C44 H48 Au4 N28 O8
• Title of publication: The Structures of [24-Pyrimidinium crown-6][Au(CN)2]4(NO3)2.2H2O, [24-Pyrimidinium crown-6][Au(CN)2]6.5H2O, and [16-Pyrimidinium crown-4][Au(CN)2]4.6.5 H2O, in Which Aurophilic Interactions Produce Trimers, Tetramers, and Chains of Au(CN)2- Ions
• Authors of publication: Roger E. Cramer; David W. Smith; William VanDoorne
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5895 - 5901
• a: 10.644 ± 0.013 Å
• b: 10.733 ± 0.012 Å
• c: 13.579 ± 0.014 Å
• α: 71.72 ± 0.01°
• β: 82.01°
• γ: 83.9 ± 0.01°
• Cell volume: 1455 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections: 0.1589
• Weighted residual factors for significantly intense reflections: 0.148
• Goodness-of-fit parameter for all reflections: 0.98
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No