Information card for entry 2216013

Structure parameters

• Chemical name: Bis[N-aminocarbonyl-N'-(3-pyridylmethylene-κN)hydrazine]diaquabis(thiocyanato- κN)zinc(II)
• Formula: C16 H20 N10 O4 S2 Zn
• Calculated formula: C16 H20 N10 O4 S2 Zn
• SMILES: c1(ccc[n](c1)[Zn](N=C=S)([OH2])([n]1cccc(c1)/C=N/NC(=O)N)(N=C=S)[OH2])/C=N/NC(=O)N
• Title of publication: Bis[<i>N</i>-aminocarbonyl-<i>N</i>'-(3-pyridylmethylene-κ<i>N</i>)hydrazine]diaquabis(thiocyanato-κ<i>N</i>)zinc(II)
• Authors of publication: Ji-Hua Deng; Gui-Quan Guo; Di-Chang Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2696 - m2697
• a: 6.661 ± 0.001 Å
• b: 9.251 ± 0.002 Å
• c: 10.328 ± 0.002 Å
• α: 65.765 ± 0.002°
• β: 82.438 ± 0.002°
• γ: 74.637 ± 0.002°
• Cell volume: 559.41 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes