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Information card for entry 7055044
Preview
| Coordinates | 7055044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H92 Fe2 I2 N4 O2 Pr2 Si4 |
|---|---|
| Calculated formula | C52 H92 Fe2 I2 N4 O2 Pr2 Si4 |
| SMILES | C1CCC[O]1[Pr]123([I][Pr]45([I]2)(N([c]26[cH]7[cH]8[cH]9[cH]2[Fe]2%10%11%1256789[c]5([cH]%12[cH]%11[cH]%10[cH]25)N4[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[O]2CCCC2)N([c]24[cH]5[cH]6[cH]7[cH]2[Fe]289%1014567[c]1([cH]2[cH]8[cH]9[cH]%101)N3[Si](C)(C)C(C)(C)C)[Si](C)(C(C)(C)C)C |
| Title of publication | In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions |
| Authors of publication | Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L. |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 10 |
| Pages of publication | 7696 |
| a | 14.879 ± 0.004 Å |
| b | 13.738 ± 0.004 Å |
| c | 15.468 ± 0.004 Å |
| α | 90° |
| β | 91.074 ± 0.003° |
| γ | 90° |
| Cell volume | 3161.2 ± 1.5 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0299 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0493 |
| Weighted residual factors for all reflections included in the refinement | 0.052 |
| 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 |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7055044.cif |
| 162070 | 2015-10-09 | cif/ Updating files of 7055043, 7055044, 7055045, 7055046, 7055047, 7055048, 7055049, 7055050 Original log message: Adding full bibliography for 7055043--7055050.cif. |
7055044.cif |
| 153298 | 2015-08-08 | cif/ Adding structures of 7055043, 7055044, 7055045, 7055046, 7055047, 7055048, 7055049, 7055050 via cif-deposit CGI script. |
7055044.cif |
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Users of the data should acknowledge the original authors of the
structural data.