Information card for entry 2229934

Structure parameters

• Chemical name: <i>cis</i>-Bis[1,1-dibenzyl-3-(furan-2-ylcarbonyl)thioureato- κ^2^<i>O</i>,<i>S</i>]copper(II)
• Formula: C40 H34 Cu N4 O4 S2
• Calculated formula: C40 H34 Cu N4 O4 S2
• SMILES: [Cu]12(OC(=NC(=[S]1)N(Cc1ccccc1)Cc1ccccc1)c1occc1)[S]=C(N=C(O2)c1occc1)N(Cc1ccccc1)Cc1ccccc1
• Title of publication: <i>cis</i>-Bis[1,1-dibenzyl-3-(furan-2-ylcarbonyl)thioureato-κ^2^<i>O</i>,<i>S</i>]copper(II)
• Authors of publication: Pérez, Hiram; da Silva, Cecilia C. P.; Plutín, Ana M.; de Simone, Carlos A.; Ellena, Javier
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m621
• a: 18.839 ± 0.0003 Å
• b: 10.873 ± 0.0002 Å
• c: 19.62 ± 0.0003 Å
• α: 90°
• β: 114.748 ± 0.001°
• γ: 90°
• Cell volume: 3649.79 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.057
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes