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Information card for entry 4121634
Preview
| Coordinates | 4121634.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H150 K2 N10 Si6 U2 |
|---|---|
| Calculated formula | C66 H150 K2 N10 Si6 U2 |
| SMILES | [U]123(N([Si](C(C)C)(C(C)C)C(C)C)CC[N]3(CCN1[Si](C(C)C)(C(C)C)C(C)C)CCN2[Si](C(C)C)(C(C)C)C(C)C)=[NH]1[K][NH]([K]1)=[U]123N([Si](C(C)C)(C(C)C)C(C)C)CC[N]3(CCN1[Si](C(C)C)(C(C)C)C(C)C)CCN2[Si](C(C)C)(C(C)C)C(C)C |
| Title of publication | Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride. |
| Authors of publication | King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 15 |
| Pages of publication | 5619 |
| a | 13.81027 ± 0.00012 Å |
| b | 23.1784 ± 0.0002 Å |
| c | 26.5707 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8505.28 ± 0.12 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0308 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179018 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/16. |
4121634.cif |
| 110329 | 2014-04-18 | cif/ Updating files of 4121632, 4121633, 4121634, 4121635, 4121636, 4121637 Original log message: Adding full bibliography for 4121632--4121637.cif. |
4121634.cif |
| 109136 | 2014-04-09 | cif/ Adding structures of 4121632, 4121633, 4121634, 4121635, 4121636, 4121637 via cif-deposit CGI script. |
4121634.cif |
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