Information card for entry 2203301

Structure parameters

• Chemical name: trans-Bis(2-amino-1,3-benzothiazole-κN^3^)dichlorocopper(II)
• Formula: C14 H12 Cl2 Cu N4 S2
• Calculated formula: C14 H12 Cl2 Cu N4 S2
• SMILES: [Cu](Cl)(Cl)([n]1c2c(sc1N)cccc2)[n]1c2c(sc1N)cccc2
• Title of publication: <i>trans</i>-Bis(2-amino-1,3-benzothiazole-κ<i>N</i>^3^)dichlorocopper(II)
• Authors of publication: Maniukiewicz, Waldemar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m340 - m341
• a: 6.443 ± 0.001 Å
• b: 13.032 ± 0.003 Å
• c: 9.987 ± 0.002 Å
• α: 90°
• β: 106.85 ± 0.02°
• γ: 90°
• Cell volume: 802.6 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes