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Information card for entry 1549164
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Coordinates | 1549164.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Catena(Bis(hydrogen dimethylmalonato-O,O')(mu-1,2-bis(4-pyridine)ethylene)- zinc(II)) |
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Formula | C22 H24 N2 O8 Zn |
Calculated formula | C22 H24 N2 O8 Zn |
SMILES | [Zn](OC(=O)C(C(=O)O)(C)C)(OC(=O)C(C(=O)O)(C)C)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Zn](OC(=O)C(C(=O)O)(C)C)(OC(=O)C(C(=O)O)(C)C)[n]1ccc(cc1)/C=C/c1ccncc1 |
Title of publication | Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers |
Authors of publication | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. |
Journal of publication | IUCrJ |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 3 |
a | 18.0211 ± 0.0008 Å |
b | 5.8795 ± 0.0002 Å |
c | 21.7192 ± 0.0012 Å |
α | 90° |
β | 113.89 ± 0.001° |
γ | 90° |
Cell volume | 2104.1 ± 0.17 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0298 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for significantly intense reflections | 0.0679 |
Weighted residual factors for all reflections included in the refinement | 0.0689 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
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/1549164.html
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