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Information card for entry 4073488
Preview
| Coordinates | 4073488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | UCI-KAM-5 |
|---|---|
| Formula | C27 H38 Se U |
| Calculated formula | C27 H38 Se U |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[U]16782345([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)(C)[Se]c1ccccc1)C)C)C)C |
| Title of publication | Formation of (C5Me5)2U(EPh)Me, (C5Me5)2U(EPh)2, and (C5Me5)2U(η2-TeC6H4) from (C5Me5)2UMe2and PhEEPh (E = S, Se, Te) |
| Authors of publication | Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.; DiPasquale, Antonio G.; Heroux, Katie J.; Rheingold, Arnold L. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 17 |
| Pages of publication | 4287 |
| a | 8.909 ± 0.0015 Å |
| b | 17.166 ± 0.003 Å |
| c | 16.484 ± 0.003 Å |
| α | 90° |
| β | 100.332 ± 0.002° |
| γ | 90° |
| Cell volume | 2480.1 ± 0.8 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0423 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0757 |
| Weighted residual factors for all reflections included in the refinement | 0.0794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204147 (current) | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
4073488.cif |
| 178623 | 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. |
4073488.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073488.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073488.cif |
| 46369 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073488 via cif-deposit CGI script. |
4073488.cif |
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Users of the data should acknowledge the original authors of the
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