Information card for entry 2212779

Structure parameters

• Chemical name: catena-Poly[[1,10-phenanthroline-κ^2^N,N')cadmium(II)]- μ-3,5-dimethylbenzoato-κ^2^O:O']
• Formula: C30 H26 Cd N2 O4
• Calculated formula: C30 H26 Cd N2 O4
• SMILES: [Cd]12(OC(=O)c3cc(cc(c3)C)C)(OC(=O)c3cc(cc(c3)C)C)([n]3cccc4ccc5ccc[n]1c5c34)[O]=C(c1cc(cc(c1)C)C)O[Cd]1([O]=C(O2)c2cc(cc(c2)C)C)[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: <i>catena</i>-Poly[[1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-3,5-dimethylbenzoato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Man-Sheng Chen; Chun-Hua Zhang; Dai-Zhi Kuang; Yong-Lan Feng; Yi-Fang Deng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m965 - m967
• a: 7.703 ± 0.004 Å
• b: 11.452 ± 0.006 Å
• c: 15.37 ± 0.009 Å
• α: 78.182 ± 0.009°
• β: 77.17 ± 0.009°
• γ: 89.784 ± 0.009°
• Cell volume: 1292.8 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.09
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes