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Information card for entry 2015165
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Coordinates | 2015165.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | catena-Poly[μ-hexanedioato-1κO^1^:2κO^6^-bis[[[aqua(5-carboxypentanoato- κO]-di-μ-4,4'-bipyridine-1κN:1'κN';2κN:2'κN']copper(II)]] |
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Formula | C19 H23 Cu N2 O7 |
Calculated formula | C19 H23 Cu N2 O7 |
SMILES | [Cu]1(OC(=O)CCCCC(=O)O)([OH2])OC(=O)CCCCC(=O)O[Cu](OC(=O)CCCCC(=O)O)([OH2])[n]2ccc(cc2)c2cc[n](cc2)[Cu]([n]2ccc(cc2)c2ccncc2)(OC(=O)CCCCC(=O)O)([OH2])OC(=O)CCCCC(=O)O[Cu]([n]2ccc(cc2)c2cc[n]1cc2)([n]1ccc(cc1)c1ccncc1)(OC(=O)CCCCC(=O)O)[OH2] |
Title of publication | <i>catena</i>-Poly[[μ-hexanedioato-1κ<i>O</i>^1^:2κ<i>O</i>^6^-bis[aqua(5-carboxypentanoato-κ<i>O</i>)copper(II)]]-di-μ-4,4'-bipyridine-1κ<i>N</i>:1'κ<i>N</i>';2κ<i>N</i>:2'κ<i>N</i>'] |
Authors of publication | Jian-Li Lin; Yue-Qing Zheng |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 12 |
Pages of publication | m501 - m503 |
a | 10.885 ± 0.002 Å |
b | 16.216 ± 0.003 Å |
c | 11.108 ± 0.002 Å |
α | 90° |
β | 96.04 ± 0.03° |
γ | 90° |
Cell volume | 1949.8 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0423 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0969 |
Weighted residual factors for all reflections included in the refinement | 0.101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2015165.html
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