Information card for entry 7000310

Structure parameters

• Formula: C12 H21 Cl2 N7 S2 Zn
• Calculated formula: C12 H21 Cl2 N7 S2 Zn
• SMILES: [Zn]123(Cl)[S]=C(NC)N[N]2=C2C(=[N]3NC(=[S]1)NC)CCCC2.[Cl-].N#CC
• Title of publication: Synthetic, structural and kinetic studies on the binding of cyclohexane-1,2-bis(4-methyl-3-thiosemicarbazone) to divalent metal ions (Co, Ni, Cu, Zn or Cd)
• Authors of publication: Al-Karawi, Ahmed Jasim M.; Clegg, William; Harrington, Ross W.; Henderson, Richard A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 3
• Pages of publication: 564 - 570
• a: 11.9205 ± 0.0011 Å
• b: 7.8966 ± 0.0007 Å
• c: 20.2112 ± 0.0018 Å
• α: 90°
• β: 100.084 ± 0.0019°
• γ: 90°
• Cell volume: 1873.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0977
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No