Information card for entry 2020479

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua{4-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)phenyl]pyridine}cadmium(II)]-μ-5-hydroxybenzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] monohydrate]
• Formula: C36 H30 Cd N6 O7
• Calculated formula: C36 H30 Cd N6 O7
• SMILES: [Cd]1([OH2])([n]2ccn(c2)c2ccc(c3ccncc3)cc2)([n]2ccn(c2)c2ccc(c3ccncc3)cc2)[O]=C(O1)c1cc(O)cc(c1)C(=O)O[Cd]1([OH2])([n]2ccn(c2)c2ccc(c3ccncc3)cc2)([n]2ccn(c2)c2ccc(c3ccncc3)cc2)[O]=C(O1)c1cc(O)cc(c1)C(=O)[O-].O.O
• Title of publication: A new one-dimensional cadmium(II) coordination polymer incorporating 4-[4-(1<i>H</i>-imidazol-1-yl)phenyl]pyridine and 5-hydroxybenzene-1,3-dicarboxylate ligands
• Authors of publication: Zhang, Zhi-Liang; Liu, Jia-Cheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 389 - 392
• a: 9.9863 ± 0.0004 Å
• b: 10.3722 ± 0.0005 Å
• c: 15.7502 ± 0.0007 Å
• α: 91.755 ± 0.004°
• β: 99.029 ± 0.005°
• γ: 95.042 ± 0.003°
• Cell volume: 1603.32 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes