Information card for entry 2236347

Structure parameters

• Chemical name: (2-Ethyl-2-oxazoline-κ<i>N</i>)bis(<i>N</i>-ethyl-<i>N</i>- phenyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium
• Formula: C23 H29 Cd N3 O S4
• Calculated formula: C23 H29 Cd N3 O S4
• SMILES: [Cd]12([S]=C(S1)N(c1ccccc1)CC)([S]=C(S2)N(c1ccccc1)CC)[N]1CCOC=1CC
• Title of publication: (2-Ethyl-2-oxazoline-κ<i>N</i>)bis(<i>N</i>-ethyl-<i>N</i>-phenyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium
• Authors of publication: Onwudiwe, Damian C.; Strydom, Christien A.; Hosten, Eric C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1309
• a: 10.3119 ± 0.0002 Å
• b: 11.4395 ± 0.0002 Å
• c: 12.2432 ± 0.0003 Å
• α: 84.756 ± 0.001°
• β: 77.395 ± 0.001°
• γ: 70.29 ± 0.001°
• Cell volume: 1326.61 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes