Information card for entry 2013537

Structure parameters

• Common name: Dichlorobis(imidazolidin-2-one-κO)zinc(II)
• Chemical name: Zinc(II) dichloro bis(2-imidazolidinone)
• Formula: C6 H12 Cl2 N4 O2 Zn
• Calculated formula: C6 H12 Cl2 N4 O2 Zn
• SMILES: [Zn](Cl)(Cl)([O]=C1NCCN1)[O]=C1NCCN1
• Title of publication: Dichlorobis(imidazolidin-2-one-κ<i>O</i>)zinc(II) at 150K
• Authors of publication: Larry R. Falvello; Eva M. Miqueleiz; Tatiana Soler; Milagros Tomás
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m442 - m445
• a: 8.4717 ± 0.0006 Å
• b: 17.0289 ± 0.001 Å
• c: 8.5571 ± 0.0007 Å
• α: 90°
• β: 112.784 ± 0.006°
• γ: 90°
• Cell volume: 1138.15 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0387
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes