Information card for entry 2212327

Structure parameters

• Chemical name: Bis[2-amino-1-methyl-1H-imidazol-4(5H)-one-κN^3^]dithiocyanatozinc(II)
• Formula: C10 H14 N8 O2 S2 Zn
• Calculated formula: C10 H14 N8 O2 S2 Zn
• SMILES: C1(=O)CN(C(=[N]1[Zn]([N]1C(=O)CN(C=1N)C)(N=C=S)N=C=S)N)C
• Title of publication: Bis[2-amino-1-methyl-1<i>H</i>-imidazol-4(5<i>H</i>)-one-κ<i>N</i>^3^]dithiocyanatozinc(II)
• Authors of publication: Li-Juan Ye; Zhong-Lu You
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m523 - m525
• a: 14.958 ± 0.001 Å
• b: 11.628 ± 0.002 Å
• c: 12.794 ± 0.002 Å
• α: 90°
• β: 122.248 ± 0.001°
• γ: 90°
• Cell volume: 1882 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes