Information card for entry 2233645

Structure parameters

• Chemical name: Bis(2-amino-1,3-benzothiazole-κ<i>N</i>^3^)dichloridozinc(II) ethanol hemisolvate
• Formula: C15 H15 Cl2 N4 O0.5 S2 Zn
• Calculated formula: C14 H12 Cl2 N4 S2 Zn
• SMILES: [Zn](Cl)(Cl)([n]1c2ccccc2sc1N)[n]1c2ccccc2sc1N
• Title of publication: Bis(2-amino-1,3-benzothiazole-κ<i>N</i>^3^)dichloridozinc(II) ethanol hemisolvate
• Authors of publication: Kim, Young-Inn; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m178 - m179
• a: 21.0129 ± 0.001 Å
• b: 11.6013 ± 0.0005 Å
• c: 16.6025 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4047.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes