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Information card for entry 4065066
Preview
Coordinates | 4065066.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H36 B9 Co Fe2 S2 |
---|---|
Calculated formula | C31 H36 B9 Co Fe2 S2 |
SMILES | [Co]123456([S]7[C]89%10[C]%11%12([S]1C(=C)[c]1%13[Fe]%14%15%16%17%18%19%20([cH]1[cH]%14[cH]%15[cH]%13%16)[cH]1[cH]%18[cH]%19[cH]%20[cH]%171)[B]1%138(CC27[c]27[cH]8[Fe]%14%15%16%17%18%192([cH]7[cH]%14[cH]8%15)[cH]2[cH]%16[cH]%17[cH]%18[cH]%192)[BH]279[BH]8%10[BH]9%102[BH]217[BH]1%11%13[BH]7%11%12[BH]89([H]7)[BH]%1021%11)[cH]1[cH]4[cH]6[cH]5[cH]31 |
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 | 11.3572 ± 0.0011 Å |
b | 23.482 ± 0.002 Å |
c | 11.8573 ± 0.0011 Å |
α | 90° |
β | 93.543 ± 0.002° |
γ | 90° |
Cell volume | 3156.2 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0983 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.0716 |
Weighted residual factors for all reflections included in the refinement | 0.0842 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
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/4065066.html
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Users of the data should acknowledge the original authors of the
structural data.