Information card for entry 2204407

Structure parameters

• Chemical name: Bis(ethylenediammonium) tris(pyridine-2,6-dicarboxylato-κ^3^O,O',N)cadmium(II) hexahydrate
• Formula: C25 H41 Cd N7 O18
• Calculated formula: C25 H41 Cd N7 O18
• SMILES: [n]12[Cd]34567(OC(=O)c8cccc(C(=O)O5)[n]38)([n]3c(C(=O)O4)cccc3C(=O)O6)OC(=O)c1cccc2C(O7)=O.[NH3+]CC[NH3+].O.O.O.[NH3+]CC[NH3+].O.O.O
• Title of publication: Bis(ethylenediammonium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O,O</i>',<i>N</i>)cadmium(II) hexahydrate
• Authors of publication: Fu, Ai-Yun; Wang, Da-Qi; Liu, Ai-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1372 - m1373
• a: 16.25 ± 0.003 Å
• b: 10.0614 ± 0.0015 Å
• c: 20.021 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3273.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes