Information card for entry 2232123

Structure parameters

• Chemical name: Poly[[(2,2'-bipyridine)(μ~3~-7-oxabicyclo[2.2.1]heptane-2,3- dicarboxylato)cadmium] monohydrate]
• Formula: C18 H18 Cd N2 O6
• Calculated formula: C18 H18 Cd N2 O6
• SMILES: [Cd]12345([n]6ccccc6c6[n]1cccc6)[O](C(=[O]2)[C@@H]1[C@H]2O[C@H](CC2)[C@H]1C(=O)[O-])[Cd]12([n]6ccccc6c6[n]1cccc6)[O]3C(=[O]2)[C@H]1[C@@H]2O[C@@H](CC2)[C@@H]1C1=[O][Cd]236(O1)([O]1[Cd]7([n]8ccccc8c8[n]7cccc8)([O]=C1[C@@H]1[C@H]7O[C@H](CC7)[C@H]1C(=[O]4)O5)[O]3C(=[O]6)[C@H]1[C@@H]3O[C@@H](CC3)[C@@H]1C(=O)[O-])[n]1ccccc1c1[n]2cccc1.O.O.O.O
• Title of publication: Poly[[(2,2'-bipyridine)(<i>{μ</i>}~3~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cadmium] monohydrate]
• Authors of publication: Zhang, Ling-Ling; Li, Shi-Kun; Feng, Jie; Lin, Qiu-Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1390 - m1391
• a: 8.2599 ± 0.0001 Å
• b: 10.595 ± 0.0002 Å
• c: 11.1097 ± 0.0002 Å
• α: 111.784 ± 0.001°
• β: 94.066 ± 0.001°
• γ: 102.749 ± 0.001°
• Cell volume: 867.94 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0242
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No