Information card for entry 2216078

Structure parameters

• Chemical name: 2,2'-[m-Phenylenebis(methyleneimino)]dipyridinium dichloridobis(4-formylbenzoato-κ^2^<i>O</i>,<i>O</i>')cadmate(II) dihydrate
• Formula: C34 H34 Cd Cl2 N4 O8
• Calculated formula: C34 H34 Cd Cl2 N4 O8
• SMILES: C1(c2ccc(cc2)C=O)=[O][Cd]2(O1)(Cl)([O]=C(c1ccc(cc1)C=O)O2)Cl.c1[nH+]c(NCc2cc(CNc3[nH+]cccc3)ccc2)ccc1.O.O
• Title of publication: 2,2'-[<i>m</i>-Phenylenebis(methyleneimino)]dipyridinium dichloridobis(4-formylbenzoato-κ^2^<i>O</i>,<i>O</i>')cadmate(II) dihydrate
• Authors of publication: Zhao-Peng Deng; Shan Gao; Li-Hua Huo; Hui Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2834 - m2834
• a: 7.7856 ± 0.0016 Å
• b: 11.956 ± 0.002 Å
• c: 18.509 ± 0.004 Å
• α: 90°
• β: 94.84 ± 0.03°
• γ: 90°
• Cell volume: 1716.8 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes