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Information card for entry 7014547
Preview
Coordinates | 7014547.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H33 B10 Co O4 S2 |
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Calculated formula | C26 H33 B10 Co O4 S2 |
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%12[S]2C(=CC(=C[Co]34562([c]2([c]6([c]5([c]4([c]32C)C)C)C)C)S1)C(=O)c1ccco1)C(=O)c1ccco1 |
Title of publication | Reactivity of the 16e Cp*Co half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards alkynes. |
Authors of publication | Ye, Hong-De; Ding, Guan-Yu; Xie, Ming-Shi; Li, Yi-Zhi; Yan, Hong |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 10 |
Pages of publication | 2306 - 2313 |
a | 12.139 ± 0.004 Å |
b | 17.654 ± 0.006 Å |
c | 22.922 ± 0.008 Å |
α | 83.022 ± 0.005° |
β | 77.764 ± 0.004° |
γ | 84.995 ± 0.005° |
Cell volume | 4755 ± 3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0851 |
Residual factor for significantly intense reflections | 0.0561 |
Weighted residual factors for significantly intense reflections | 0.1277 |
Weighted residual factors for all reflections included in the refinement | 0.1334 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
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/7014547.html
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Users of the data should acknowledge the original authors of the
structural data.