Information card for entry 2215274

Structure parameters

• Chemical name: (Pyrimidine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)bis(triphenylphosphine- κ<i>P</i>)copper(I)
• Formula: C40 H33 Cu N2 P2 S
• Calculated formula: C40 H33 Cu N2 P2 S
• SMILES: [Cu]1(Sc2[n]1cccn2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (Pyrimidine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)bis(triphenylphosphine-κ<i>P</i>)copper(I)
• Authors of publication: Ruan, Cheng-Xiang; Shi, Wen-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2412 - m2412
• a: 9.3092 ± 0.0006 Å
• b: 11.0636 ± 0.0007 Å
• c: 18.8384 ± 0.0012 Å
• α: 93.181 ± 0.001°
• β: 91.912 ± 0.002°
• γ: 113.81 ± 0.002°
• Cell volume: 1769.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes