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Information card for entry 4124292
Preview
| Coordinates | 4124292.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H46 N3 O2 U |
|---|---|
| Calculated formula | C37 H46 N3 O2 U |
| SMILES | [U]123456(=O)(=O)([N](=C(C)c7[n]1c(ccc7)C(=[N]2c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C |
| Title of publication | Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals. |
| Authors of publication | Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 34 |
| Pages of publication | 11115 - 11125 |
| a | 12.1266 ± 0.0008 Å |
| b | 22.268 ± 0.0015 Å |
| c | 14.529 ± 0.0008 Å |
| α | 90° |
| β | 104.098 ± 0.004° |
| γ | 90° |
| Cell volume | 3805.2 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 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 | 0.071 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.179 |
| Weighted residual factors for all reflections included in the refinement | 0.186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CU-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
4124292.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4124292.cif |
| 154653 | 2015-09-06 | cif/ Updating files of 4124290, 4124291, 4124292 Original log message: Adding full bibliography for 4124290--4124292.cif. |
4124292.cif |
| 153629 | 2015-08-25 | cif/ Adding structures of 4124292 via cif-deposit CGI script. |
4124292.cif |
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