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Information card for entry 2014852
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Coordinates | 2014852.cif |
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Structure factors | 2014852.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[[bis(4-aminopyridine-κN)aquacadmium(II)]-μ-1,4- phenylenediacetato-κ^4^O,O':O'',O'''] dihydrate] |
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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 Å3 |
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 |
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