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Information card for entry 4114204
Preview
| Coordinates | 4114204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H22 I2 O6 U |
|---|---|
| Calculated formula | C8 H22 I0.685 N0.315 O4.945 U0.5 |
| Title of publication | Synthesis and Structure of UO2I2(OH2)2.4Et2O: First Structurally Characterized U(VI)-I Bond and Lightest Missing Member of the UO2X2 (X = Halide) Series |
| Authors of publication | Margaret-Jane Crawford; Arkady Ellern; Heinrich Nöth; Max Suter |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 11778 - 11779 |
| a | 8.8306 ± 0.0011 Å |
| b | 9.2307 ± 0.0011 Å |
| c | 10.8926 ± 0.0014 Å |
| α | 68.412 ± 0.002° |
| β | 67.056 ± 0.002° |
| γ | 75.297 ± 0.002° |
| Cell volume | 753.94 ± 0.16 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0846 |
| Weighted residual factors for all reflections included in the refinement | 0.0873 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4114204.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4114204.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114204.cif |
| 67489 | 2012-09-27 | cif/ Adding structures of 4114204 via cif-deposit CGI script. |
4114204.cif |
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Users of the data should acknowledge the original authors of the
structural data.