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Information card for entry 2206030
Preview
Coordinates | 2206030.cif |
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Structure factors | 2206030.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[[diaqua(6-carboxypyridine-2-carboxylato- κ^3^N,O,O')samarium(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^N,O,O':O''] tetrahydrate] |
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Formula | C14 H19 N2 O14 Sm |
Calculated formula | C14 H19 N2 O14 Sm |
SMILES | [Sm]1234([n]5c(cccc5C(=[O]1)O)C(=O)O2)([n]1c(cccc1C(=O)O3)C(=O)O4)([OH2])([OH2])[O]=C1c2cccc3C(=O)O[Sm]45([n]6c(cccc6C(=[O]4)O)C(=O)O5)([n]23)(O1)([OH2])[OH2].O.O.O.O.O.O.O.O |
Title of publication | <i>catena</i>-Poly[[[diaqua(6-carboxypyridine-2-carboxylato-κ^3^<i>N,O,O</i>')samarium(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>N,O,O</i>':<i>O</i>''] tetrahydrate] |
Authors of publication | Liu, San-Hui; Li, Yi-Zhi; Meng, Qing-Jin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 6 |
Pages of publication | m1111 - m1113 |
a | 13.973 ± 0.003 Å |
b | 11.203 ± 0.002 Å |
c | 12.83 ± 0.003 Å |
α | 90° |
β | 102.367 ± 0.004° |
γ | 90° |
Cell volume | 1961.8 ± 0.7 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 | 0.0842 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.149 |
Weighted residual factors for all reflections included in the refinement | 0.156 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2206030.html
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