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Information card for entry 7228007
Preview
| Coordinates | 7228007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2[Gd(dipic)3] 2[CoEn3] * 13(H2O) |
|---|---|
| Formula | C27 H46 Co Gd N9 O18.5 |
| Calculated formula | C27 H46 Co Gd N9 O18.5 |
| SMILES | [Gd]123456([n]7c(cccc7C(=O)O2)C(=O)O1)([n]1c(cccc1C(=O)O4)C(=O)O3)[n]1c(cccc1C(=O)O6)C(=O)O5.[Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.O.O.O.O.O.O.O |
| Title of publication | Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions |
| Authors of publication | Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 17 |
| Pages of publication | 2372 |
| a | 10.4992 ± 0.0004 Å |
| b | 21.4101 ± 0.0009 Å |
| c | 16.8664 ± 0.0007 Å |
| α | 90° |
| β | 95.879 ± 0.001° |
| γ | 90° |
| Cell volume | 3771.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for significantly intense reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203412 (current) | 2017-11-21 | cif/7 Fixing Z values and formulae accordingly. |
7228007.cif |
| 196378 | 2017-05-06 | cif/ Updating files of 7228006, 7228007, 7228008, 7228009, 7228010, 7228011 Original log message: Adding full bibliography for 7228006--7228011.cif. |
7228007.cif |
| 195227 | 2017-04-06 | cif/ Adding structures of 7228006, 7228007, 7228008, 7228009, 7228010, 7228011 via cif-deposit CGI script. |
7228007.cif |
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Users of the data should acknowledge the original authors of the
structural data.