Information card for entry 2229937

Structure parameters

• Common name: <i>cis</i>-Bis[<i>N</i>'-(4-bromobenzoyl)-<i>N</i>,<i>N</i>- dimethylthioureato-κ^2^<i>O</i>,<i>S</i>]copper(II)
• Chemical name: <i>cis</i>-Bis(<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-4-bromobenzoylthioureato)copper(II)
• Formula: C20 H20 Br2 Cu N4 O2 S2
• Calculated formula: C20 H20 Br2 Cu N4 O2 S2
• SMILES: [Cu]12([S]=C(N=C(O1)c1ccc(Br)cc1)N(C)C)[S]=C(N=C(O2)c1ccc(Br)cc1)N(C)C
• Title of publication: <i>cis</i>-Bis[<i>N</i>'-(4-bromobenzoyl)-<i>N</i>,<i>N</i>-dimethylthioureato-κ^2^<i>O</i>,<i>S</i>]copper(II)
• Authors of publication: Binzet, Gün; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m648 - m649
• a: 9.178 ± 0.0011 Å
• b: 11.0028 ± 0.0013 Å
• c: 23.241 ± 0.003 Å
• α: 94.857 ± 0.002°
• β: 96.144 ± 0.003°
• γ: 95.095 ± 0.002°
• Cell volume: 2313.7 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes