Information card for entry 2222708

Structure parameters

• Chemical name: Bromidobis(<i>N</i>,<i>N</i>'-diphenylthiourea-κ<i>S</i>)copper(I) monohydrate
• Formula: C26 H26 Br Cu N4 O S2
• Calculated formula: C26 H26 Br Cu N4 O S2
• SMILES: Br[Cu]([S]=C(Nc1ccccc1)Nc1ccccc1)[S]=C(Nc1ccccc1)Nc1ccccc1.O
• Title of publication: Bromidobis(<i>N</i>,<i>N</i>'-diphenylthiourea-κ<i>S</i>)copper(I) monohydrate
• Authors of publication: Mufakkar, Muhammad; Tahir, M. Nawaz; Ahmad, Saeed; Shaheen, Muhammad Ashraf; Waheed, Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m892 - m893
• a: 9.6195 ± 0.0005 Å
• b: 12.1937 ± 0.0006 Å
• c: 12.7969 ± 0.0006 Å
• α: 89.345 ± 0.002°
• β: 73.154 ± 0.001°
• γ: 69.225 ± 0.002°
• Cell volume: 1336.2 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes