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Information card for entry 7230094
Preview
Coordinates | 7230094.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | SuperNova |
---|---|
Formula | C62 H42 Cu6 N14 O12 |
Calculated formula | C62 H42 Cu6 N14 O12 |
SMILES | [Cu]12([O]=C3N4[Cu]5([O]=C(N24)c2c(O1)cccc2)[O]=C1c2ccccc2O[Cu]2(N1N5C(=[O]2)c1nc(C2N4[Cu]5([O]=C6c7ccccc7O[Cu]7(N6N5C(=[O]7)c5nc3ccc5)[n]3ccccc3)[O]=C3N4[Cu]([O]=2)(Oc2ccccc32)[n]2ccccc2)ccc1)[n]1ccccc1)[n]1ccccc1 |
Title of publication | A family of 3d metal clusters based on N‒N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior |
Authors of publication | Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei |
Journal of publication | RSC Advances |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 12 |
Pages of publication | 6218 |
a | 11.969 ± 0.0006 Å |
b | 14.4468 ± 0.0006 Å |
c | 17.6248 ± 0.0009 Å |
α | 89.892 ± 0.004° |
β | 73.514 ± 0.004° |
γ | 82.879 ± 0.004° |
Cell volume | 2898 ± 0.2 Å3 |
Cell temperature | 150.15 K |
Ambient diffraction temperature | 150.15 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.0768 |
Weighted residual factors for all reflections included in the refinement | 0.0809 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.7107 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/7230094.html
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Users of the data should acknowledge the original authors of the
structural data.