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Information card for entry 4072151
Preview
| Coordinates | 4072151.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H30 I2 U |
|---|---|
| Calculated formula | C20 H30 I2 U |
| SMILES | [U]12345678(I)(I)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C |
| Title of publication | A Mild Protocol To Generate Uranium(IV) Mixed-Ligand Metallocene Complexes using Copper(I) Iodide |
| Authors of publication | Graves, Christopher R.; Schelter, Eric J.; Cantat, Thibault; Scott, Brian L.; Kiplinger, Jaqueline L. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5371 |
| a | 8.5406 ± 0.0016 Å |
| b | 16.293 ± 0.003 Å |
| c | 15.827 ± 0.003 Å |
| α | 90° |
| β | 98.717 ± 0.002° |
| γ | 90° |
| Cell volume | 2176.9 ± 0.7 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0708 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1289 |
| Weighted residual factors for all reflections included in the refinement | 0.1401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.194 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072151.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072151.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072151.cif |
| 44265 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072151, 4072152, 4072153, 4072154, 4072155 via cif-deposit CGI script. |
4072151.cif |
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Users of the data should acknowledge the original authors of the
structural data.