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Information card for entry 7017823
Preview
| Coordinates | 7017823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene)_ 5 terephthalate dianion_ 2 yttrium(iii)_8 H2O_31 H2O |
|---|---|
| Formula | C78 H132 N10 O59 Y2 |
| Calculated formula | C78 H54 N10 O36 Y2 |
| SMILES | C1n2c[n+](cc2)c2cccc(n2)n2c[n+](cc2)Cc2ccc(cc2)Cn2c[n+](cc2)c2cccc(n2)n2c[n+](cc2)Cc2ccc1cc2.O([Y]1(OC(=O)c2ccc(cc2)C(=O)[O-])(OC(=[O]1)c1ccc(C2=[O][Y](OC(=O)c3ccc(cc3)C(=O)[O-])(OC(=O)c3ccc(cc3)C(=O)[O-])(O2)([OH2])([OH2])([OH2])[OH2])cc1)([OH2])([OH2])([OH2])[OH2])C(=O)c1ccc(cc1)C(=O)[O-].O.O.O.O.O.O.O.O |
| Title of publication | Multi component self-assembly: supramolecular organic frameworks containing metal-rotaxane subunits (RSOFs). |
| Authors of publication | Gong, Han-Yuan; Rambo, Brett M.; Nelson, Cory A.; Cho, Won; Lynch, Vincent M.; Zhu, Xiaoyang; Oh, Moonhyun; Sessler, Jonathan L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 4 |
| Pages of publication | 1134 - 1137 |
| a | 11.288 ± 0.005 Å |
| b | 17.608 ± 0.007 Å |
| c | 24.405 ± 0.01 Å |
| α | 90° |
| β | 98.315 ± 0.005° |
| γ | 90° |
| Cell volume | 4800 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1355 |
| Residual factor for significantly intense reflections | 0.0917 |
| Weighted residual factors for significantly intense reflections | 0.2404 |
| Weighted residual factors for all reflections included in the refinement | 0.2647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179882 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/78. |
7017823.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017823.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017823.cif |
| 33431 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7017821, 7017822, 7017823, 7017824, 7017825 via cif-deposit CGI script. |
7017823.cif |
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