Information card for entry 2242169

Structure parameters

• Chemical name: Chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]\ bis(triphenylphosphane-κ<i>P</i>)silver(I)
• Formula: C43 H37 Ag Cl N3 O2 P2 S
• Calculated formula: C43 H37 Ag Cl N3 O2 P2 S
• SMILES: C(N)(Nc1ccc(cc1)N(=O)=O)=[S][Ag](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)silver(I)
• Authors of publication: Nimthong-Roldán, Arunpatcha; Sripa, Paramee; Wattanakanjana, Yupa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 829 - 831
• a: 11.8581 ± 0.0002 Å
• b: 28.5087 ± 0.0004 Å
• c: 12.0272 ± 0.0002 Å
• α: 90°
• β: 104.934 ± 0.0017°
• γ: 90°
• Cell volume: 3928.57 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0272
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes