Information card for entry 2228207

Structure parameters

• Chemical name: <i>catena</i>-Poly[lead(II)-bis(μ-2-amino-1,3-benzothiazole-6-carboxylato)]
• Formula: C16 H10 N4 O4 Pb S2
• Calculated formula: C16 H10 N4 O4 Pb S2
• SMILES: C1(=[O][Pb]2(O1)[O]=C(c1cc3c(cc1)nc(N)s3)O2)c1cc2c(cc1)nc(N)s2
• Title of publication: <i>catena</i>-Poly[lead(II)-bis(μ-2-amino-1,3-benzothiazole-6-carboxylato)]
• Authors of publication: Zhang, Ke-Ke; Fang, Xin; Yu, Hai-Yang; Ke, Hua; Wang, Jun-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1700 - m1701
• a: 10.909 ± 0.002 Å
• b: 4.8271 ± 0.001 Å
• c: 15.98 ± 0.003 Å
• α: 90°
• β: 100.02 ± 0.03°
• γ: 90°
• Cell volume: 828.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes