Information card for entry 2239577

Structure parameters

• Chemical name: (<i>N</i>,<i>N</i>'-Diethylthiourea-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I) acetate methanol monosolvate
• Formula: C62 H64 Ag N2 O3 P3 S
• Calculated formula: C62 H64 Ag N2 O3 P3 S
• SMILES: [Ag]([S]=C(NCC)NCC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O=C([O-])C.OC
• Title of publication: (<i>N</i>,<i>N</i>'-Diethylthiourea-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I) acetate methanol monosolvate
• Authors of publication: Wattanakanjana, Yupa; Nimthong, Arunpatcha; Kamrod, Chanakan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: m216 - m217
• a: 12.95 ± 0.003 Å
• b: 21.903 ± 0.006 Å
• c: 19.915 ± 0.005 Å
• α: 90°
• β: 103.201 ± 0.004°
• γ: 90°
• Cell volume: 5499 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes