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Information card for entry 4073421
Preview
| Coordinates | 4073421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H93 N9 U |
|---|---|
| Calculated formula | C51 H93 N9 U |
| SMILES | [U]12345678(C#N)(C#N)(C#N)(C#N)(C#N)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC |
| Title of publication | Bent and Linear Uranium(IV) Metallocenes with Terminal and Bridging Cyanide Ligands |
| Authors of publication | Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 18 |
| Pages of publication | 4585 - 4591 |
| a | 38.6077 ± 0.0008 Å |
| b | 12.1228 ± 0.0004 Å |
| c | 38.4765 ± 0.0014 Å |
| α | 90° |
| β | 118.949 ± 0.002° |
| γ | 90° |
| Cell volume | 15758.2 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0656 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1316 |
| Weighted residual factors for all reflections included in the refinement | 0.1406 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178623 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/34. |
4073421.cif |
| 132295 | 2015-02-22 | cif/4/07/ (antanas@koala.ibt.lt) Updating bibliography for CIFs 4073419, 4073420, 4073421, 4073422. |
4073421.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4073421.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073421.cif |
| 46327 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073419, 4073420, 4073421, 4073422 via cif-deposit CGI script. |
4073421.cif |
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Users of the data should acknowledge the original authors of the
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