Information card for entry 2216073

Structure parameters

• Chemical name: Poly[[(1,10-phenanthroline)cadmium(II)]- μ~3~-2-(4-carboxylatophenoxy)propionato]
• Formula: C22 H16 Cd N2 O5
• Calculated formula: C22 H16 Cd N2 O5
• SMILES: [Cd]12345([O](C(=[O]1)[C@H](Oc1ccc(cc1)C(=O)[O-])C)[Cd]16([O]3C(=[O]1)[C@@H](Oc1ccc(cc1)C1=[O][Cd]378(O1)([O]1[Cd]9([O]=C1[C@H](Oc1ccc(cc1)C(=[O]4)O5)C)([n]1cccc4ccc5ccc[n]9c5c14)[O]3C(=[O]7)[C@@H](Oc1ccc(cc1)C(=O)[O-])C)[n]1cccc3ccc4ccc[n]8c4c13)C)[n]1cccc3ccc4ccc[n]6c4c13)[n]1cccc3ccc4ccc[n]2c4c13
• Title of publication: Poly[[(1,10-phenanthroline)cadmium(II)]-μ~3~-2-(4-carboxylatophenoxy)propionato]
• Authors of publication: Li-Li Kong; Shan Gao; Li-Hua Huo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2759 - m2759
• a: 21.214 ± 0.004 Å
• b: 10.506 ± 0.002 Å
• c: 19.775 ± 0.004 Å
• α: 90°
• β: 120.02 ± 0.03°
• γ: 90°
• Cell volume: 3816.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes