Information card for entry 2227240

Structure parameters

• Chemical name: Bis(pyridine-2-carbaldehyde thiosemicarbazone)zinc(II) dinitrate dihydrate
• Formula: C14 H20 N10 O8 S2 Zn
• Calculated formula: C14 H20 N10 O8 S2 Zn
• SMILES: [Zn]1234([S]=C(N[N]2=Cc2cccc[n]12)N)[S]=C(N[N]4=Cc1cccc[n]31)N.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Bis(pyridine-2-carbaldehyde thiosemicarbazone)zinc(II) dinitrate dihydrate
• Authors of publication: Cheng, Lin; Zhang, Li-Min; Wang, Jian-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1340
• a: 21.4623 ± 0.0014 Å
• b: 16.6324 ± 0.0012 Å
• c: 13.2764 ± 0.001 Å
• α: 90°
• β: 102.876 ± 0.002°
• γ: 90°
• Cell volume: 4620.1 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1111
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes