Information card for entry 2202048

Structure parameters

• Chemical name: Diacetatobis(2-aminobenzothiazolato)zinc(II)
• Formula: C18 H18 N4 O4 S2 Zn
• Calculated formula: C18 H18 N4 O4 S2 Zn
• SMILES: [Zn](OC(=O)C)(OC(=O)C)([n]1c(sc2ccccc12)N)[n]1c(sc2ccccc12)N
• Title of publication: Diacetatobis(2-aminobenzothiazole)zinc(II)
• Authors of publication: Anwar Usman; Hoong-Kun Fun; Suchada Chantrapromma; Ming Zhang; Zhen-Feng Chen; Yuan-Zhi Tang; Shao-Ming Shi; Hong Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: m41 - m43
• a: 8.5471 ± 0.0007 Å
• b: 27.547 ± 0.002 Å
• c: 9.0485 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2130.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No