Information card for entry 2220414

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(1,10-phenanthroline)cadmium(II)]-μ-2-(1,3-benzimidazol- 2-ylsulfanyl)acetato-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^3^]
• Formula: C21 H14 Cd N4 O2 S
• Calculated formula: C21 H14 Cd N4 O2 S
• SMILES: [Cd]12(n3c4ccccc4nc3SCC(=O)[O-])([n]3cccc4ccc5ccc[n]1c5c34)OC(=O)CSc1n([Cd]3[n]4cccc5ccc6ccc[n]3c6c45)c3ccccc3[n]21
• Title of publication: <i>catena</i>-Poly[[(1,10-phenanthroline)cadmium(II)]-μ-2-(1,3-benzimidazol-2-ylsulfanyl)acetato-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^3^]
• Authors of publication: Cheng, Lin; Sun, Yan-Yan; Zhang, Ya-Wen; Wang, Jian-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m34
• a: 9.2195 ± 0.001 Å
• b: 8.2577 ± 0.0009 Å
• c: 25.62 ± 0.003 Å
• α: 90°
• β: 103.215 ± 0.004°
• γ: 90°
• Cell volume: 1898.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes