Information card for entry 2019859

Structure parameters

• Chemical name: [1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>'](<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)(thiocyanato-κ<i>N</i>)copper(I)
• Formula: C31 H34 Cu N3 P2 S2
• Calculated formula: C31 H34 Cu N3 P2 S2
• Title of publication: Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ2P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I)
• Authors of publication: Wattanakanjana, Yupa; Nimthong-Roldán, Arunpatcha; Ratthiwan, Janejira
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: m61
• a: 9.9727 ± 0.0015 Å
• b: 31.971 ± 0.005 Å
• c: 10.2162 ± 0.0015 Å
• α: 90°
• β: 110.022 ± 0.002°
• γ: 90°
• Cell volume: 3060.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes