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Information card for entry 7226969
Preview
| Coordinates | 7226969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C152 H142 N16 O47 S8 |
|---|---|
| Calculated formula | C152 H112 N16 O47 S8 |
| Title of publication | Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state |
| Authors of publication | Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 46 |
| Pages of publication | 8858 |
| a | 18 ± 0.0009 Å |
| b | 18.933 ± 0.001 Å |
| c | 28.187 ± 0.002 Å |
| α | 76.131 ± 0.002° |
| β | 71.402 ± 0.003° |
| γ | 86.574 ± 0.003° |
| Cell volume | 8837.5 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.3207 |
| Residual factor for significantly intense reflections | 0.22 |
| Weighted residual factors for significantly intense reflections | 0.4847 |
| Weighted residual factors for all reflections included in the refinement | 0.5243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.678 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190065 (current) | 2017-01-09 | cif/ Updating files of 7226969, 7226970, 7226971 Original log message: Adding full bibliography for 7226969--7226971.cif. |
7226969.cif |
| 187710 | 2016-11-01 | cif/ Adding structures of 7226969, 7226970, 7226971 via cif-deposit CGI script. |
7226969.cif |
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Users of the data should acknowledge the original authors of the
structural data.