Information card for entry 2241453

Structure parameters

• Chemical name: Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>'](piperazine-κ<i>N</i>)cadmium
• Formula: C16 H34 Cd N4 O2 S4
• Calculated formula: C16 H34 Cd N4 O2 S4
• SMILES: [Cd]12([S]=C(S1)N(CCO)C(C)C)([S]=C(S2)N(CCO)C(C)C)[NH]1CCNCC1
• Title of publication: Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>'](piperazine-κ<i>N</i>)cadmium: crystal structure and Hirshfeld surface analysis
• Authors of publication: Safbri, Siti Artikah M.; Halim, Siti Nadiah Abdul; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 158 - 163
• a: 15.341 ± 0.003 Å
• b: 16.9915 ± 0.0007 Å
• c: 9.0308 ± 0.0008 Å
• α: 90°
• β: 100.62 ± 0.016°
• γ: 90°
• Cell volume: 2313.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes