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Information card for entry 1550069
Preview
| Coordinates | 1550069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C87 H127 Co N4 O9 P3 Si2 Y |
|---|---|
| Calculated formula | C87 H127 Co N4 O9 P3 Si2 Y |
| SMILES | [Y]12345(O[P]([Co]6789([P](O1)(OCC)OCC)([P](O2)(OCC)OCC)[cH]1[cH]9[cH]8[cH]7[cH]61)(OCC)OCC)n1c2=C(c6[n]5c(=C(c5n4c(C(=c4[n]3c(C(=c1cc2)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)cc4)C#C[Si](C(C)C)(C(C)C)C(C)C)cc5)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)cc6)C#C[Si](C(C)C)(C(C)C)C(C)C |
| Title of publication | Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. |
| Authors of publication | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 45 |
| Pages of publication | 8474 - 8481 |
| a | 18.266 ± 0.0003 Å |
| b | 14.9061 ± 0.0002 Å |
| c | 33.9132 ± 0.0005 Å |
| α | 90° |
| β | 104.455 ± 0.001° |
| γ | 90° |
| Cell volume | 8941.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0438 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.105 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228842 (current) | 2019-11-17 | cif/ Updating files of 1550065, 1550066, 1550067, 1550068, 1550069, 1550070, 1550071, 1550072, 1550073, 1550074, 1550075, 1550076, 1550077 Original log message: Adding full bibliography for 1550065--1550077.cif. |
1550069.cif |
| 211553 | 2018-10-20 | cif/ Adding structures of 1550065, 1550066, 1550067, 1550068, 1550069, 1550070, 1550071, 1550072, 1550073, 1550074, 1550075, 1550076, 1550077 via cif-deposit CGI script. |
1550069.cif |
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Users of the data should acknowledge the original authors of the
structural data.