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Information card for entry 2101541
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2101541.cif |
---|---|
Original IUCr paper | HTML |
Formula | C10 H17 K N O6.5 S2 |
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Calculated formula | C10 H17 K N O6.5 S2 |
SMILES | [K+].S(=O)(=O)([O-])c1c(S(=O)(=O)[O-])cccc1.O.[N+](C)(C)(C)C |
Title of publication | Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents? |
Authors of publication | Nagel, N.; Eller, P.; Bock, H. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 1996 |
Journal volume | 52 |
Journal issue | 3 |
Pages of publication | 562 - 568 |
a | 10.891 ± 0.002 Å |
b | 6.657 ± 0.002 Å |
c | 21.212 ± 0.003 Å |
α | 90° |
β | 101.64 ± 0.02° |
γ | 90° |
Cell volume | 1506.3 ± 0.6 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0449 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for all reflections | 0.1057 |
Weighted residual factors for significantly intense reflections | 0.0931 |
Goodness-of-fit parameter for all reflections | 1.047 |
Goodness-of-fit parameter for significantly intense reflections | 1.109 |
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/2101541.html
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Users of the data should acknowledge the original authors of the
structural data.