Information card for entry 7000311

Structure parameters

• Formula: C12 H21 Cd N9 O6 S2
• Calculated formula: C12 H21 Cd N9 O6 S2
• 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: 10.0365 ± 0.0011 Å
• b: 8.8416 ± 0.0009 Å
• c: 24.652 ± 0.003 Å
• α: 90°
• β: 101.241 ± 0.0017°
• γ: 90°
• Cell volume: 2145.6 ± 0.4 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: 0.0363
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No