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Information card for entry 4076332
Preview
Coordinates | 4076332.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H25 B18 Co O |
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Calculated formula | C6 H25 B18 Co O |
SMILES | [Co]123456789[CH]%10%11%12[CH]%13%141[BH]1%15%16[BH]%17%11%13[BH]%11%13%15[BH]%15%18%19[BH]2%10([B]24%15([BH]3%141[BH]%16%13%192)[O](C[B]1239[BH]497[CH]7%105[CH]5%136[BH]6%14%10[BH]%1047[BH]429[BH]26%10[BH]6%13%14[BH]815[BH]3426)C)[BH]%12%17%11%18 |
Title of publication | The Zwitterion [8,8′-μ-CH2O(CH3)-(1,2-C2B9H10)2-3,3′-Co]0as a Versatile Building Block To Introduce Cobalt Bis(Dicarbollide) Ion into Organic Molecules |
Authors of publication | Plešek, Jaromír; Grüner, Bohumír; Šícha, Václav; Bőhmer, Volker; Císařová, Ivana |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 5 |
Pages of publication | 1703 |
a | 15.0183 ± 0.0001 Å |
b | 10.4278 ± 0.0001 Å |
c | 35.8282 ± 0.0003 Å |
α | 90° |
β | 101.38 ± 0.0005° |
γ | 90° |
Cell volume | 5500.68 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0493 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0807 |
Weighted residual factors for all reflections included in the refinement | 0.0861 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.7107 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/4076332.html
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Users of the data should acknowledge the original authors of the
structural data.