Information card for entry 2241003

Structure parameters

• Chemical name: Bis[μ-1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>:<i>P</i>']bis[(<i>N</i>,<i>N</i>'-diethylthiourea-κ<i>S</i>)iodidocopper(I)]
• Formula: C62 H72 Cu2 I2 N4 P4 S2
• Calculated formula: C62 H72 Cu2 I2 N4 P4 S2
• SMILES: C(NCC)(NCC)=[S][Cu]1(I)[P](c2ccccc2)(c2ccccc2)CC[P](c2ccccc2)(c2ccccc2)[Cu](I)([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)[S]=C(NCC)NCC
• Title of publication: Crystal structure of bis[μ-1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>:<i>P</i>']bis[(<i>N</i>,<i>N</i>'-diethylthiourea-κ<i>S</i>)iodidocopper(I)]
• Authors of publication: Khongsichan, Ladawan; Nimthong-Roldán, Arunpatcha; Pakawatchai, Chaveng; Wongnawa, Sumpun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: m154 - m155
• a: 12.215 ± 0.0008 Å
• b: 15.1836 ± 0.0009 Å
• c: 17.1801 ± 0.001 Å
• α: 90°
• β: 96.414 ± 0.002°
• γ: 90°
• Cell volume: 3166.4 ± 0.3 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: 0.0248
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes