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Information card for entry 4315786
Preview
Coordinates | 4315786.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H40 B20 Co2 S4 |
---|---|
Calculated formula | C18 H40 B20 Co2 S4 |
SMILES | [Co]123456([S]([Co]789%10([S]2CCCC)(S[C]2%11%12%13[BH]%14%15%16[BH]%17%182[BH]2%19%11[BH]%11%20%12[BH]%12%21%22[BH]%23%14([BH]%14%15%17[BH]%15%182[BH]%19%11%12[BH]%21%23%14%15)[CH]%13%16%20%22)[cH]2[cH]7[cH]8[cH]9[cH]%102)[C]2789[BH]%10%11%12[BH]%13%14%15[BH]%16%17%18[BH]%192([BH]2%207[BH]78%10[BH]8%11%13[BH]%10%14%16[BH]%17%192[BH]%2078%10)[C]9%12%15%18S1)[cH]1[cH]3[cH]4[cH]5[cH]61 |
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 | 9.937 ± 0.005 Å |
b | 10.918 ± 0.006 Å |
c | 15.988 ± 0.008 Å |
α | 80.302 ± 0.007° |
β | 85.016 ± 0.007° |
γ | 88.648 ± 0.007° |
Cell volume | 1703.2 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1312 |
Residual factor for significantly intense reflections | 0.0702 |
Weighted residual factors for significantly intense reflections | 0.1499 |
Weighted residual factors for all reflections included in the refinement | 0.1881 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4315786.html
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Users of the data should acknowledge the original authors of the
structural data.