Information card for entry 2234627

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(2-amino-1,3-benzothiazole-6-carboxylato- κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium]- μ-2-amino-1,3-benzothiazole-6-carboxylato-κ^3^<i>N</i>^1^:<i>O</i>,<i>O</i>']
• Formula: C26 H18 Cd N6 O4 S2
• Calculated formula: C26 H18 Cd N6 O4 S2
• SMILES: [Cd]123([O]=C(O1)c1ccc4nc(sc4c1)N)([n]1ccccc1c1[n]2cccc1)([n]1c2ccc(cc2sc1N)C(=O)[O-])[O]=C(O3)c1ccc2[n]([Cd]34([O]=C(O3)c3ccc5nc(sc5c3)N)[n]3ccccc3c3[n]4cccc3)c(sc2c1)N
• Title of publication: <i>catena</i>-Poly[[(2-amino-1,3-benzothiazole-6-carboxylato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium]-μ-2-amino-1,3-benzothiazole-6-carboxylato-κ^3^<i>N</i>^1^:<i>O</i>,<i>O</i>']
• Authors of publication: Gao, Dan; Fang, Xin; Zhang, Ke-Ke; Cai, Li-Mao; Wang, Jun-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m641 - m642
• a: 9.977 ± 0.002 Å
• b: 11.715 ± 0.002 Å
• c: 11.734 ± 0.002 Å
• α: 65.28 ± 0.03°
• β: 77.52 ± 0.03°
• γ: 77.15 ± 0.03°
• Cell volume: 1202.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes