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Information card for entry 4082268
Preview
Coordinates | 4082268.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H21 B10 Co S2 |
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Calculated formula | C15 H21 B10 Co S2 |
SMILES | [Co]123456([S]7[C]89%10%11[B]%12%13%14([BH]%15%168[BH]8%179[BH]9%18%10[BH]%10%19%17[BH]%17%168[BH]8%13%15[BH]%13%15%12[BH]9%10([BH]%19%178%13)[C]%11%14%18%15S1)CC27c1ccccc1)[cH]1[cH]3[cH]4[cH]5[cH]61 |
Title of publication | Reactivity of CpCo 16eHalf-Sandwich Complexes Containing a Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolate Ligand toward Phenylacetylene |
Authors of publication | Xu, Bao-Hua; Wu, De-Hong; Li, Yi-Zhi; Yan, Hong |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 17 |
Pages of publication | 4344 |
a | 11.962 ± 0.003 Å |
b | 13.029 ± 0.003 Å |
c | 15.174 ± 0.004 Å |
α | 115.007 ± 0.003° |
β | 103.298 ± 0.005° |
γ | 98.994 ± 0.004° |
Cell volume | 1997.7 ± 0.9 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0902 |
Residual factor for significantly intense reflections | 0.0676 |
Weighted residual factors for significantly intense reflections | 0.1529 |
Weighted residual factors for all reflections included in the refinement | 0.1589 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
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/4082268.html
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Users of the data should acknowledge the original authors of the
structural data.