Information card for entry 2014852

Structure parameters

• Chemical name: catena-Poly[[[bis(4-aminopyridine-κN)aquacadmium(II)]-μ-1,4- phenylenediacetato-κ^4^O,O':O'',O'''] dihydrate]
• Formula: C20 H26 Cd N4 O7
• Calculated formula: C20 H26 Cd N4 O7
• SMILES: [Cd]1([OH2])([n]2ccc(N)cc2)([n]2ccc(N)cc2)[O]=C(O1)Cc1ccc(cc1)CC1=[O][Cd]2(O1)([OH2])([n]1ccc(N)cc1)([n]1ccc(N)cc1)OC(=[O]2)Cc1ccc(cc1)CC(=O)[O-].O.O.O.O
• Title of publication: A new chain-like cadmium(II) coordination polymer containing chains of water molecules
• Authors of publication: Lin, Xiue; Wang, Yan-Qin; Cao, Rong; Li, Feng; Bi, Wen-Hua; Wang, Yu-Ling; Li, Xiao-Ju
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m292 - m294
• a: 18.1668 ± 0.0012 Å
• b: 13.6273 ± 0.001 Å
• c: 9.2692 ± 0.0007 Å
• α: 90°
• β: 102.998 ± 0.003°
• γ: 90°
• Cell volume: 2235.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes