Information card for entry 2211770

Structure parameters

• Chemical name: (N,N-Diethylethane-1,2-diamine)dithiocyanatozinc(II)
• Formula: C8 H16 N4 S2 Zn
• Calculated formula: C8 H16 N4 S2 Zn
• SMILES: [Zn]1([N](CC[NH2]1)(CC)CC)(N=C=S)N=C=S
• Title of publication: (<i>N</i>,<i>N</i>-Diethylethane-1,2-diamine)dithiocyanatozinc(II)
• Authors of publication: Zhe Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m132 - m134
• a: 9.451 ± 0.001 Å
• b: 10.574 ± 0.001 Å
• c: 13.716 ± 0.002 Å
• α: 90°
• β: 100.869 ± 0.002°
• γ: 90°
• Cell volume: 1346.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes