Information card for entry 2240230

Structure parameters

• Chemical name: Di-μ-iodido-bis[(dimethyl sulfoxide-κ<i>O</i>)(triphenylphosphane-κ<i>P</i>)copper(I)]
• Formula: C40 H42 Cu2 I2 O2 P2 S2
• Calculated formula: C40 H42 Cu2 I2 O2 P2 S2
• SMILES: S(C)(C)=[O][Cu]1([I][Cu]([I]1)([O]=S(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of di-μ-iodido-bis[(dimethyl sulfoxide-κ<i>O</i>)(triphenylphosphane-κ<i>P</i>)copper(I)]
• Authors of publication: Kinghat, Rodolphe; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 547 - 549
• a: 8.6099 ± 0.0002 Å
• b: 9.3435 ± 0.0002 Å
• c: 14.5279 ± 0.0004 Å
• α: 91.016 ± 0.001°
• β: 104.049 ± 0.001°
• γ: 116.004 ± 0.001°
• Cell volume: 1008.6 ± 0.04 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 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: 0.0558
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes