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Information card for entry 4304141
Preview
| Coordinates | 4304141.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H84 N3 P6 S6 U |
|---|---|
| Calculated formula | C36 H84 N3 P6 S6 U |
| SMILES | [U]123([S]=P(N=P(S1)(C(C)C)C(C)C)(C(C)C)C(C)C)([S]=P(N=P(S2)(C(C)C)C(C)C)(C(C)C)C(C)C)[S]=P(N=P(S3)(C(C)C)C(C)C)(C(C)C)C(C)C |
| Title of publication | Experimental and Theoretical Comparison of Actinide and Lanthanide Bonding in M[N(EPR2)2]3 Complexes (M = U, Pu, La, Ce; E = S, Se, Te; R = Ph,iPr, H) |
| Authors of publication | Andrew J. Gaunt; Sean D. Reilly; Alejandro E. Enriquez; Brian L. Scott; James A. Ibers; Perumal Sekar; Kieran I. M. Ingram; Nikolas Kaltsoyannis; Mary P. Neu |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 29 - 41 |
| a | 12.974 ± 0.003 Å |
| b | 13.333 ± 0.003 Å |
| c | 18.787 ± 0.004 Å |
| α | 91.189 ± 0.004° |
| β | 108.914 ± 0.004° |
| γ | 117.146 ± 0.004° |
| Cell volume | 2680.2 ± 1 Å3 |
| Cell temperature | 141 ± 2 K |
| Ambient diffraction temperature | 141 ± 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 | 0.0934 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1447 |
| Weighted residual factors for all reflections included in the refinement | 0.1552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.868 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179079 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/41. |
4304141.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304141.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304141.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304141.cif |
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