Information card for entry 2216497

Structure parameters

• Chemical name: catena-Poly[[(4,7-diphenyl-1,10-phenanthroline)cadmate(II)]- μ-4,4'-oxydibenzoato]
• Formula: C38 H24 Cd N2 O5
• Calculated formula: C38 H24 Cd N2 O5
• SMILES: [Cd]1234([n]5ccc(c6c5c5c(c(cc[n]15)c1ccccc1)cc6)c1ccccc1)[O]=C(O2)c1ccc(cc1)Oc1ccc(cc1)C(=O)O[Cd]12([n]5ccc(c6c5c5c(c(cc[n]15)c1ccccc1)cc6)c1ccccc1)[O]=C(O2)c1ccc(cc1)Oc1ccc(cc1)C(=[O]4)O[Cd]124([n]5ccc(c6c5c5c(c(cc[n]15)c1ccccc1)cc6)c1ccccc1)[O]=C(O3)c1ccc(cc1)Oc1ccc(cc1)C1=[O][Cd]3([n]5ccc(c6c5c5c(c(cc[n]35)c3ccccc3)cc6)c3ccccc3)(O1)OC(=O)c1ccc(cc1)Oc1ccc(C(=[O]2)O4)cc1
• Title of publication: <i>catena</i>-Poly[[(4,7-diphenyl-1,10-phenanthroline)cadmium(II)]-μ-4,4'-oxydibenzoato]
• Authors of publication: Mao-Liang Xu; Rui Zhou; Ge-Yang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3135 - m3135
• a: 10.727 ± 0.002 Å
• b: 10.96 ± 0.002 Å
• c: 13.375 ± 0.003 Å
• α: 92.85 ± 0.03°
• β: 108.06 ± 0.03°
• γ: 96.34 ± 0.03°
• Cell volume: 1480 ± 0.6 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: 0.0341
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes