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Information card for entry 7229048
Preview
Coordinates | 7229048.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H112 Co6 N6 O24 |
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Calculated formula | C54 H112 Co6 N6 O24 |
SMILES | [NH]1(CC[O]23[Co]4567[O]=C(O[Co]8912[NH](CC[O]79)CC[O]8[Co]123[NH](CCO)CC[O]52[Co]235([O]=C(C(C)(C)C)O1)[O]16CC[NH](CCO)[Co]61([O]=C(C(C)(C)C)O4)[O]12CC[NH](CCO)[Co]241([NH](CC[O]34)CC[O]62)[O]=C(O5)C(C)(C)C)C(C)(C)C)CCO.C(=O)(C(C)(C)C)[O-].C(=O)(C(C)(C)C)[O-] |
Title of publication | Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters |
Authors of publication | Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 17.5789 ± 0.001 Å |
b | 9.5632 ± 0.0003 Å |
c | 23.9684 ± 0.0008 Å |
α | 90° |
β | 101.608 ± 0.003° |
γ | 90° |
Cell volume | 3946.9 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1195 |
Residual factor for significantly intense reflections | 0.074 |
Weighted residual factors for significantly intense reflections | 0.1823 |
Weighted residual factors for all reflections included in the refinement | 0.2061 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/7229048.html
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Users of the data should acknowledge the original authors of the
structural data.