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Information card for entry 4065069
Preview
Coordinates | 4065069.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H47 B10 Cl2 Co Fe2 S2 |
---|---|
Calculated formula | C37 H47 B10 Cl2 Co Fe2 S2 |
SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%158[BH]8%16%11[BH]%111([BH]125[BH]69%14[BH]%158%111)[C]14%13%16[C]37%10%12S[Co]23456(C(=CC=C([c]78[cH]9[cH]%10[cH]%11[cH]7[Fe]7%12%13%1489%10%11[cH]8[cH]7[cH]%12[cH]%13[cH]%148)[S]16)[c]16[cH]7[cH]8[cH]9[cH]1[Fe]1%10%11%126789[cH]6[cH]1[cH]%10[cH]%11[CH]%126)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.C(Cl)Cl |
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 | 11.4377 ± 0.0013 Å |
b | 20.149 ± 0.002 Å |
c | 17.84 ± 0.002 Å |
α | 90° |
β | 93.293 ± 0.002° |
γ | 90° |
Cell volume | 4104.6 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0616 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.1172 |
Weighted residual factors for all reflections included in the refinement | 0.1236 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4065069.html
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Users of the data should acknowledge the original authors of the
structural data.