Information card for entry 2232347

Structure parameters

• Chemical name: Poly[(μ~3~-biphenyl-3,3'-dicarboxylato)(1,10-phenanthroline)cadmium]
• Formula: C26 H16 Cd N2 O4
• Calculated formula: C26 H16 Cd N2 O4
• SMILES: [Cd]1234([n]5cccc6c5c5[n]1cccc5cc6)([O]=C(O2)c1cc(ccc1)c1cc(ccc1)C(=[O]1)[O]2[Cd]567([n]8cccc9c8c8[n]5cccc8cc9)([O]=C(O6)c5cc(ccc5)c5cc(ccc5)C(=[O]5)[O]46)[O]=C([O]7[Cd]412[n]1cccc2c1c1[n]4cccc1cc2)c1cc(ccc1)c1cc(ccc1)C(=O)[O-])[O]=C([O]3[Cd]156[n]2cccc3c2c2[n]1cccc2cc3)c1cc(c2cc(C(=O)[O-])ccc2)ccc1
• Title of publication: Poly[(μ~3~-biphenyl-3,3'-dicarboxylato)(1,10-phenanthroline)cadmium]
• Authors of publication: Qiu, Yu-E
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1557
• a: 26.1947 ± 0.0017 Å
• b: 9.7258 ± 0.0005 Å
• c: 21.2247 ± 0.0014 Å
• α: 90°
• β: 127.411 ± 0.001°
• γ: 90°
• Cell volume: 4295 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes