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Information card for entry 4315785
Preview
Coordinates | 4315785.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H56 B20 Co N S4 |
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Calculated formula | C20 H56 B20 Co N S4 |
SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]268[BH]9%11%14[BH]%15%1712)[C]14%13%16[C]37%10%12S[Co]2(S1)S[C]1345[BH]678[BH]9%101[BH]1%113[BH]3%124[BH]4%13%14[BH]%1513[BH]19%11[BH]36%10[BH]74([BH]%13%1513)[C]58%12%14S2.C(CCC)[N+](CCCC)(CCCC)CCCC |
Title of publication | Ligand-to-Metal Ratio Controlled Assembly of Cobalt Complexes Containing ortho-Carborane Thiolato and Butyl Thiolato Ligands |
Authors of publication | Yuguang Li; Qibai Jiang; Yizhi Li; Xujie Shen; Hong Yan; Vladimir I. Bregadze |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 5584 - 5590 |
a | 16.616 ± 0.005 Å |
b | 21.607 ± 0.006 Å |
c | 22.366 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8030 ± 4 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0994 |
Residual factor for significantly intense reflections | 0.0558 |
Weighted residual factors for significantly intense reflections | 0.1011 |
Weighted residual factors for all reflections included in the refinement | 0.1099 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/4315785.html
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Users of the data should acknowledge the original authors of the
structural data.