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Information card for entry 4334260
Preview
| Coordinates | 4334260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Pr(CyMe4-BTBP)2(NO3)](NO3)2.4EtOH.H2O |
|---|---|
| Formula | C72 H102 N19 O14 Pr |
| Calculated formula | C72 H100 N19 O14 Pr |
| SMILES | [Pr]1234567(ON(=[O]1)=O)([n]1nc8c(nc1c1[n]2c(ccc1)c1[n]3c(ccc1)c1[n]4nc2c(n1)C(CCC2(C)C)(C)C)C(CCC8(C)C)(C)C)[n]1nc2c(nc1c1[n]5c(ccc1)c1[n]6c(ccc1)c1[n]7nc3c(n1)C(CCC3(C)C)(C)C)C(CCC2(C)C)(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].OCC.OCC.OCC.OCC.O |
| Title of publication | Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants |
| Authors of publication | Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 3429 - 3444 |
| a | 24.279 ± 0.0007 Å |
| b | 16.5467 ± 0.0004 Å |
| c | 19.4601 ± 0.0005 Å |
| α | 90° |
| β | 90.355 ± 0.003° |
| γ | 90° |
| Cell volume | 7817.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0942 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179445 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/42. |
4334260.cif |
| 100077 | 2014-02-04 | cif/ Adding structures of 4334260 via cif-deposit CGI script. |
4334260.cif |
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