Information card for entry 2237545

Structure parameters

• Chemical name: Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethylidene]thiosemicabazidato-κ<i>S</i>}bis(triphenylphosphane-κ<i>P</i>)silver(I)
• Formula: C45 H43 Ag Cl N5 P2 S
• Calculated formula: C45 H43 Ag Cl N5 P2 S
• SMILES: [Ag](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]=C(N/N=C(C)/c1nccnc1)NCC
• Title of publication: Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethylidene]thiosemicabazidato-κ<i>S</i>}bis(triphenylphosphane-κ<i>P</i>)silver(I)
• Authors of publication: Venkatraman, Ramaiyer; Ruddock, Kleopatra D.; Das, Himangshu S.; Hossain, Md. Alamgir; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: m137 - m138
• a: 12.064 ± 0.0005 Å
• b: 31.81 ± 0.002 Å
• c: 21.9207 ± 0.0015 Å
• α: 90°
• β: 98.029 ± 0.005°
• γ: 90°
• Cell volume: 8329.7 ± 0.9 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes