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Information card for entry 4516284
Preview
| Coordinates | 4516284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C134 H204 O42 Sn12 |
|---|---|
| Calculated formula | C134 H204 O42 Sn12 |
| SMILES | c1(c2c3cc4c1OCOc1c(c5OC(C(=O)[O-])Oc6c(c7OCOc8c(c(OCO2)c([C@H]3C)cc8[C@H](c7cc6[C@H](c5cc1[C@H]4C)C)C)C)C)C)C.C([Sn]1234[OH][Sn]567(CCCC)[O]8[Sn]9%10(CCCC)[O]%11[Sn]%12%13(CCCC)[O]%14[Sn]%15(CCCC)([O]%12[Sn](CCCC)([OH]5)([O]16)([OH]2)[O]9%13)[O]1[Sn]25%14(CCCC)[OH][Sn]69%11(CCCC)[O]%10[Sn]%108(CCCC)[O]7[Sn]78(CCCC)[O]3[Sn]1(CCCC)([O]4%15)[O]8[Sn](CCCC)([OH]2)([O]56)([OH]9)[O]%107)CCC.C(C)O.c1(c2c3cc4c1OCOc1c(c5OC(Oc6c(c7OCOc8c(c(OCO2)c([C@@H]3C)cc8[C@@H](c7cc6[C@@H](c5cc1[C@@H]4C)C)C)C)C)C(=O)[O-])C)C.C(C)O |
| Title of publication | Molecular Dumbbell, Sandwich, and Paddle-Wheel Assembled with Methylresorcin[4]arene Cavitands and Organooxotin Clusters |
| Authors of publication | Dong, Yun-Bo; Shi, Hua-Yu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 1546 |
| a | 20.9661 ± 0.0012 Å |
| b | 15.8372 ± 0.0009 Å |
| c | 23.0081 ± 0.0015 Å |
| α | 90° |
| β | 98.435 ± 0.006° |
| γ | 90° |
| Cell volume | 7557.1 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.157 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231222 (current) | 2019-11-22 | cif/ Adding structures of 4516282, 4516283, 4516284, 4516285 via cif-deposit CGI script. |
4516284.cif |
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Users of the data should acknowledge the original authors of the
structural data.