Information card for entry 2239557

Structure parameters

• Chemical name: {Dimethyl [(phenylsulfonyl)amido]phosphato-κ^2^<i>O</i>,<i>O</i>'}bis(triphenylphosphane-κ<i>P</i>)copper(I)
• Formula: C44 H41 Cu N O5 P3 S
• Calculated formula: C44 H41 Cu N O5 P3 S
• SMILES: c1(ccccc1)S1(=NP(=[O][Cu](O1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(OC)OC)=O
• Title of publication: {Dimethyl [(phenylsulfonyl)amido]phosphato-κ^2^<i>O</i>,<i>O</i>'}bis(triphenylphosphane-κ<i>P</i>)copper(I)
• Authors of publication: Moroz, Olesia V.; Trush, Viktor A.; Sliva, Tatiana Yu.; Znovjyak, Kateryna O.; Amirkhanov, Vladimir M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: m209 - m210
• a: 12.8657 ± 0.0012 Å
• b: 26.281 ± 0.003 Å
• c: 13.971 ± 0.003 Å
• α: 90°
• β: 121.875 ± 0.01°
• γ: 90°
• Cell volume: 4011.6 ± 1.1 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: 0.1895
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes