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Information card for entry 7014546
Preview
Coordinates | 7014546.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H35 B10 Cl2 Co O4 S2 |
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Calculated formula | C27 H35 B10 Cl2 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(C(=O)c3ccco3)[Co]34562([c]2([c]3([c]4([c]5([c]62C)C)C)C)C)S1)C(=O)c1ccco1.C(Cl)Cl |
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 | 10.6371 ± 0.0018 Å |
b | 24.112 ± 0.004 Å |
c | 13.67 ± 0.002 Å |
α | 90° |
β | 98.048 ± 0.003° |
γ | 90° |
Cell volume | 3471.6 ± 1 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0952 |
Residual factor for significantly intense reflections | 0.0621 |
Weighted residual factors for significantly intense reflections | 0.132 |
Weighted residual factors for all reflections included in the refinement | 0.1401 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/7014546.html
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Users of the data should acknowledge the original authors of the
structural data.