Information card for entry 7035014

Structure parameters

• Formula: C10 H16 I2 N4 S2 Zn
• Calculated formula: C10 H16 I2 N4 S2 Zn
• SMILES: c1([n](ccn1C)[Zn]([n]1c(n(cc1)C)SC)(I)I)SC
• Title of publication: Zinc(ii)-methimazole complexes: synthesis and reactivity.
• Authors of publication: Isaia, Francesco; Aragoni, Maria Carla; Arca, Massimiliano; Bettoschi, Alexandre; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Lippolis, Vito; Pivetta, Tiziana; Valletta, Elisa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9805 - 9814
• a: 8.9185 ± 0.0011 Å
• b: 9.1511 ± 0.0011 Å
• c: 11.8137 ± 0.0015 Å
• α: 88.66 ± 0.02°
• β: 86.89 ± 0.02°
• γ: 71.16 ± 0.02°
• Cell volume: 911.1 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No