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Information card for entry 4122212
Preview
| Coordinates | 4122212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H40 B N2 U |
|---|---|
| Calculated formula | C32 H40 B N2 U |
| SMILES | c12ccc3C(C)(C)[c]45[cH]6[cH]7[cH]8[c]9%10[cH]4[U]4%11%12%13%14%15%165678%10([c]5([cH]4[cH]%15[cH]%11[c]%12([cH]%135)C1(C)C)C(c1ccc(C9(C)C)n%141)(C)C)(n23)[H][BH2][H]%16 |
| Title of publication | New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2]. |
| Authors of publication | Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 29 |
| Pages of publication | 10218 - 10221 |
| a | 10.186 ± 0.005 Å |
| b | 11.735 ± 0.005 Å |
| c | 13.03 ± 0.005 Å |
| α | 79.413 ± 0.005° |
| β | 72.025 ± 0.005° |
| γ | 75.355 ± 0.005° |
| Cell volume | 1423.9 ± 1.1 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 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 | 0.0341 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.0983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296059 (current) | 2024-11-22 | Marked attached hydrogen atoms and updated the '_chemical_formula_moiety', '_chemical_formula_sum' data item values accordingly in entries 4122212, 4122213 after consulting the original publication. |
4122212.cif |
| 179024 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/22. |
4122212.cif |
| 121275 | 2014-08-05 | cif/ Updating files of 4122212, 4122213, 4122214, 4122215 Original log message: Adding full bibliography for 4122212--4122215.cif. |
4122212.cif |
| 119919 | 2014-07-10 | cif/ Adding structures of 4122212, 4122213, 4122214, 4122215 via cif-deposit CGI script. |
4122212.cif |
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