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Information card for entry 7117169
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7117169.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2-phenylbenzimidazolium Sulfate Ethanol Solvate |
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Formula | C28 H28 N4 O5 S |
Calculated formula | C28 H28 N4 O5 S |
Title of publication | Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure |
Authors of publication | Cristina Mottillo; Tomislav Friscic |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 8924 |
a | 16.62 ± 0.004 Å |
b | 8.218 ± 0.002 Å |
c | 19.159 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2616.8 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1497 |
Residual factor for significantly intense reflections | 0.1023 |
Weighted residual factors for significantly intense reflections | 0.2031 |
Weighted residual factors for all reflections included in the refinement | 0.2235 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7117169.html
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Users of the data should acknowledge the original authors of the
structural data.