Information card for entry 2208069

Structure parameters

• Chemical name: bis[1,3-dimethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one]diiodocadmium(II)
• Formula: C12 H24 Cd I2 N4 O2
• Calculated formula: C12 H24 Cd I2 N4 O2
• SMILES: I[Cd](I)([O]=C1N(C)CCCN1C)[O]=C1N(C)CCCN1C
• Title of publication: Bis[1,3-dimethyl-3,4,5,6-tetrahydropyrimidin-2(1<i>H</i>)-one-κ<i>O</i>]diiodocadmium(II)
• Authors of publication: Lundberg, Daniel; Eriksson, Lars
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m400 - m401
• a: 14.4849 ± 0.0003 Å
• b: 15.8909 ± 0.0001 Å
• c: 8.4871 ± 0.0002 Å
• α: 90°
• β: 90.522 ± 0.002°
• γ: 90°
• Cell volume: 1953.46 ± 0.06 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: 0.05
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No