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Information card for entry 4309471
Preview
| Coordinates | 4309471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H69 N6 Nd O6 P6 |
|---|---|
| Calculated formula | C78 H69 N6 Nd O6 P6 |
| SMILES | [Nd]123([O]=P(N=P(O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(N=P(O2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(N=P(O3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC.N#CC.N#CC |
| Title of publication | Long-Lived Near-Infrared Luminescent Lanthanide Complexes of Imidodiphosphinate "Shell" Ligands |
| Authors of publication | Andrew P. Bassett; Rik Van Deun; Peter Nockemann; Peter B. Glover; Benson M. Kariuki; Kristof Van Hecke; Luc Van Meervelt; Zoe Pikramenou |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 6140 - 6142 |
| a | 11.16 ± 0.003 Å |
| b | 13.796 ± 0.004 Å |
| c | 23.585 ± 0.007 Å |
| α | 89.024 ± 0.014° |
| β | 86.135 ± 0.012° |
| γ | 85.359 ± 0.012° |
| Cell volume | 3610.8 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0985 |
| Residual factor for significantly intense reflections | 0.0946 |
| Weighted residual factors for significantly intense reflections | 0.225 |
| Weighted residual factors for all reflections included in the refinement | 0.2295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179132 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/94. |
4309471.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309471.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309471.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309471.cif |
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