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Information card for entry 1561404
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1561404.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H38 Co N8 O14 S2 |
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Calculated formula | C36 H38 Co N8 O14 S2 |
SMILES | c1cc(c2nnc(c3ccncc3)o2)cc[n]1[Co]([n]1ccc(cc1)c1nnc(c2ccncc2)o1)([OH2])([OH2])([OH2])[OH2].[O-]S(=O)(=O)c1ccccc1.O.O=S(=O)([O-])c1ccccc1.O |
Title of publication | Novel bipyridinyl oxadiazole-based metal coordination complexes: High efficient and green synthesis of 3,4-dihydropyrimidin-2(1H)-ones through the Biginelli reactions |
Authors of publication | Wang, Jin-Hua; Zhang, E.; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng |
Journal of publication | Journal of Solid State Chemistry |
Year of publication | 2016 |
Journal volume | 241 |
Pages of publication | 86 - 98 |
a | 10.796 ± 0.005 Å |
b | 7.74 ± 0.005 Å |
c | 25.054 ± 0.005 Å |
α | 90° |
β | 98.129 ± 0.005° |
γ | 90° |
Cell volume | 2072.5 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0688 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.1311 |
Weighted residual factors for all reflections included in the refinement | 0.1556 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
Diffraction radiation wavelength | 0.71069 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/1561404.html
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Users of the data should acknowledge the original authors of the
structural data.