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Information card for entry 7230095
Preview
Coordinates | 7230095.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | SuperNova |
---|---|
Formula | C69 H57 Cu6 N15 O17 |
Calculated formula | C69 H57 Cu6 N15 O17 |
SMILES | [Cu]12([O]=C3N4[Cu]5([O]=C(N24)c2c(O1)c(OC)ccc2)[O]=C1N2[Cu](Oc4c1cccc4OC)([O]=C(N52)c1nc(C2N4[Cu]5([O]=C6c7cccc(OC)c7O[Cu]7(N6N5C(=[O]7)c5nc3ccc5)[n]3ccccc3)[O]=C3N4[Cu]([O]=2)(Oc2c(OC)cccc32)[n]2ccccc2)ccc1)[n]1ccccc1)[n]1ccccc1.O=CN(C)C |
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 | 14.6309 ± 0.0005 Å |
b | 35.9987 ± 0.001 Å |
c | 14.3693 ± 0.0004 Å |
α | 90° |
β | 90.793 ± 0.002° |
γ | 90° |
Cell volume | 7567.5 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0976 |
Residual factor for significantly intense reflections | 0.0616 |
Weighted residual factors for significantly intense reflections | 0.1469 |
Weighted residual factors for all reflections included in the refinement | 0.1597 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/7230095.html
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