Information card for entry 2239020

Structure parameters

• Chemical name: [1<i>H</i>-1,2,4-Triazole-5(4<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)(nitrato-κ<i>O</i>)silver(I) methanol monosolvate
• Formula: C39 H37 Ag N4 O4 P2 S
• Calculated formula: C39 H37 Ag N4 O4 P2 S
• SMILES: [Ag]([S]=C1NC=NN1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)ON(=O)=O.OC
• Title of publication: [1<i>H</i>-1,2,4-Triazole-5(4<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)(nitrato-κ<i>O</i>)silver(I) methanol monosolvate
• Authors of publication: Wattanakanjana, Yupa; Palamae, Sureeporn; Ratthiwan, Jenejira; Nimthong, Ruthairat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: m61 - m62
• a: 13.2712 ± 0.0014 Å
• b: 14.3999 ± 0.0015 Å
• c: 20.198 ± 0.002 Å
• α: 90°
• β: 107.934 ± 0.002°
• γ: 90°
• Cell volume: 3672.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes