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Information card for entry 7225332
Preview
| Coordinates | 7225332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H103 N17 O35 S3 |
|---|---|
| Calculated formula | C60 H80 N16 O34 S3 |
| Title of publication | Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors |
| Authors of publication | Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 26 |
| Pages of publication | 5036 |
| a | 15.3493 ± 0.0011 Å |
| b | 15.4384 ± 0.0013 Å |
| c | 21.013 ± 0.0016 Å |
| α | 84.839 ± 0.006° |
| β | 75.566 ± 0.005° |
| γ | 61.549 ± 0.005° |
| Cell volume | 4237.4 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1012 |
| Residual factor for significantly intense reflections | 0.0749 |
| Weighted residual factors for significantly intense reflections | 0.2137 |
| Weighted residual factors for all reflections included in the refinement | 0.2383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.895 |
| 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/7225332.html
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Users of the data should acknowledge the original authors of the
structural data.