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Information card for entry 7211895
Preview
| Coordinates | 7211895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H46 O12 Rb2 S8 |
|---|---|
| Calculated formula | C52 H46 O12 Rb2 S8 |
| Title of publication | Thiacalix[4]arene‒rubidium assembly: supramolecular architecture based on alkali metal coordination and cation‒π interactions |
| Authors of publication | Yamada, Manabu; Shimakawa, Yoshifumi; Kondo, Yoshihiko; Hamada, Fumio |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 4 |
| Pages of publication | 1311 |
| a | 9.8707 ± 0.0004 Å |
| b | 12.7458 ± 0.0007 Å |
| c | 21.8848 ± 0.0012 Å |
| α | 88.967 ± 0.002° |
| β | 85.654 ± 0.0018° |
| γ | 80.553 ± 0.0019° |
| Cell volume | 2708.1 ± 0.2 Å3 |
| Cell temperature | 100.1 K |
| Ambient diffraction temperature | 100.1 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 significantly intense reflections | 0.0281 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7211895.cif |
| 92461 | 2014-01-12 | cif/ Adding structures of 7211895 via cif-deposit CGI script. |
7211895.cif |
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Users of the data should acknowledge the original authors of the
structural data.