Information card for entry 2230567

Structure parameters

• Chemical name: Bis(2-propyl-1<i>H</i>-imidazol-3-ium) bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cadmate(II)
• Formula: C26 H28 Cd N6 O8
• Calculated formula: C26 H28 Cd N6 O8
• SMILES: c12cccc3[n]1[Cd]14([n]5c(cccc5C(=O)O1)C(=O)O4)(OC3=O)OC2=O.c1([nH]cc[nH+]1)CCC.c1([nH]cc[nH+]1)CCC
• Title of publication: Bis(2-propyl-1<i>H</i>-imidazol-3-ium) bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cadmate(II)
• Authors of publication: Dong, Gui-Ying; Liu, Tong-Fei; He, Cui-Hong; Deng, Xiao-Chen; Shi, Xiao-Ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m1007
• a: 19.928 ± 0.004 Å
• b: 9.5038 ± 0.0019 Å
• c: 15.073 ± 0.003 Å
• α: 90°
• β: 109.9 ± 0.03°
• γ: 90°
• Cell volume: 2684.2 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0352
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes