Information card for entry 2218037

Structure parameters

• Chemical name: Bis[2-acetyl-3-methylpyrazine (2-hydroxybenzoyl)hydrazonato]zinc(II) monohydrate
• Formula: C28 H28 N8 O5 Zn
• Calculated formula: C28 H28 N8 O5 Zn
• SMILES: [Zn]1234([N](N=C(O3)c3c(O)cccc3)=C(C)c3[n]1ccnc3C)[N](N=C(O4)c1c(O)cccc1)=C(C)c1[n]2ccnc1C.O
• Title of publication: Bis[2-acetyl-3-methylpyrazine (2-hydroxybenzoyl)hydrazonato]zinc(II) monohydrate
• Authors of publication: Tai, Xi-Shi; Feng, Yi-Min; Zhang, Hua-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m656
• a: 9.3794 ± 0.001 Å
• b: 22.814 ± 0.002 Å
• c: 13.9407 ± 0.0014 Å
• α: 90°
• β: 106.402 ± 0.002°
• γ: 90°
• Cell volume: 2861.7 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes