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Information card for entry 4311883
Preview
| Coordinates | 4311883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H128 N18 O21 U4 |
|---|---|
| Calculated formula | C62 H126 N18 O21 U4 |
| SMILES | [U]123([N](=C=O)[U]4([N](=C=O)[U]5([N](=C=O)[U](=O)(=O)([O]15)(N=C=O)(N=C=O)[N]2=C=O)(=O)(=O)([O]34)N=C=O)(=O)(=O)(N=C=O)N=C=O)(=O)(=O)N=C=O.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC.N#CC.O |
| Title of publication | First Structurally Characterized Actinide Isocyanates |
| Authors of publication | Margaret-Jane Crawford; Peter Mayer; Heinrich Nöth; Max Suter |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 6860 - 6862 |
| a | 17.2787 ± 0.0002 Å |
| b | 15.561 ± 0.0001 Å |
| c | 32.7619 ± 0.0004 Å |
| α | 90° |
| β | 94.0849 ± 0.0005° |
| γ | 90° |
| Cell volume | 8786.44 ± 0.16 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1041 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179157 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/18. |
4311883.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311883.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311883.cif |
| 3385 | 2010-11-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4311883 via cif-deposit CGI script. |
4311883.cif |
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Users of the data should acknowledge the original authors of the
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