Information card for entry 2236502

Structure parameters

• Chemical name: (Acetato-κ<i>O</i>)(acetato-κ<i>O</i>,<i>O</i>')bis(1,3-diazinane-2-thione- κ<i>S</i>)cadmium(II)
• Formula: C12 H22 Cd N4 O4 S2
• Calculated formula: C12 H22 Cd N4 O4 S2
• SMILES: [Cd]12([S]=C3NCCCN3)([S]=C3NCCCN3)([O]=C(O1)C)OC(=[O]2)C
• Title of publication: (Acetato-κ<i>O</i>)(acetato-κ<i>O</i>,<i>O</i>')bis(1,3-diazinane-2-thione-κ<i>S</i>)cadmium(II)
• Authors of publication: Mahmood, Rashid; Ghulam Hussain, Saima; Fettouhi, Mohammed; Isab, Anvarhusein A.; Ahmad, Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1352 - m1353
• a: 8.693 ± 0.0017 Å
• b: 10.175 ± 0.002 Å
• c: 12.203 ± 0.002 Å
• α: 97.452 ± 0.004°
• β: 100.683 ± 0.004°
• γ: 111.61 ± 0.003°
• Cell volume: 962.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes