Information card for entry 2236813

Structure parameters

• Chemical name: Bis(μ-4,6-dimethylpyrimidine-2-thiolato)-κ^3^<i>N</i>,<i>S</i>:<i>S</i>; κ^3^<i>S</i>:<i>N</i>,<i>S</i>-bis[(triphenylphosphane-κ<i>P</i>)silver(I)]
• Formula: C48 H44 Ag2 N4 P2 S2
• Calculated formula: C48 H44 Ag2 N4 P2 S2
• SMILES: c12[n](c(cc(C)n1)C)[Ag]13([P](c4ccccc4)(c4ccccc4)c4ccccc4)[S]4c5[n](c(cc(C)n5)C)[Ag]34([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S]21
• Title of publication: Bis(μ-4,6-dimethylpyrimidine-2-thiolato)-κ^3^<i>N</i>,<i>S</i>:<i>S</i>;κ^3^<i>S</i>:<i>N</i>,<i>S</i>-bis[(triphenylphosphane-κ<i>P</i>)silver(I)]
• Authors of publication: Wattanakanjana, Yupa; Pakawatchai, Chaveng; Kowittheeraphong, Sukanya; Nimthong, Ruthairat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1572 - m1573
• a: 11.705 ± 0.0005 Å
• b: 15.3084 ± 0.0007 Å
• c: 12.5331 ± 0.0006 Å
• α: 90°
• β: 97.483 ± 0.001°
• γ: 90°
• Cell volume: 2226.62 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes