Information card for entry 2208712

Structure parameters

• Chemical name: Di-μ-pyridine-2-thiolato-bis[chloro(triphenylphosphine)copper(I)]
• Formula: C46 H40 Cl2 Cu2 N2 P2 S2
• Calculated formula: C46 H40 Cl2 Cu2 N2 P2 S2
• SMILES: [P]([Cu]1([S](=c2cccc[nH]2)[Cu]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([S]1=c1cccc[nH]1)Cl)Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Di-μ-pyridine-2-thiolato-bis[chloro(triphenylphosphine)copper(I)]
• Authors of publication: Marjani, Katayoun; Davies, Sian C.; Durrant, Marcus C.; Hughes, David L.; Khodamorad, Nejat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m744 - m746
• a: 9.7076 ± 0.0006 Å
• b: 9.7875 ± 0.0013 Å
• c: 26.348 ± 0.003 Å
• α: 96.918 ± 0.011°
• β: 91.942 ± 0.007°
• γ: 119.488 ± 0.008°
• Cell volume: 2150.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No