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Information card for entry 4065068
Preview
Coordinates | 4065068.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H25 B10 Co Fe S2 |
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Calculated formula | C19 H25 B10 Co Fe S2 |
SMILES | [Co]1234567(S[C]89%10%11[BH]%12%13%14[BH]%15%168[BH]8%179[BH]9%18%10[BH]%10%19%20[BH]%21%12([BH]%12%13%15[BH]%13%168[BH]%179%10[BH]%19%21%12%13)[C]%11%14%18%20C2C3(S1)[c]12[cH]3[cH]8[cH]9[Fe]%10%11%12%13138([cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]4[cH]5[cH]6[cH]71 |
Title of publication | Reactivity of the 16-Electron CpCo versus Cp*Co Half-Sandwich Complex Containing ano-Carborane-1,2-dithiolate Ligand toward Ethynylferrocene |
Authors of publication | Bai, Wenjuan; Liu, Guifeng; Guoyiqibayi, Gulnisa; Yan, Hong |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 19 |
Pages of publication | 5188 |
a | 39.227 ± 0.003 Å |
b | 6.4461 ± 0.0006 Å |
c | 20.789 ± 0.0018 Å |
α | 90° |
β | 115.16 ± 0.001° |
γ | 90° |
Cell volume | 4758 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0528 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.1224 |
Weighted residual factors for all reflections included in the refinement | 0.1278 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/4065068.html
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Users of the data should acknowledge the original authors of the
structural data.