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Information card for entry 1513688
Preview
| Coordinates | 1513688.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C236 H314 N4 O22 S8 U4 |
|---|---|
| Calculated formula | C236 H314 N4 O22 S8 U4 |
| SMILES | [U]123456([S]7[S]3[U]3789%10([S]1[S]28)Oc1c(C[N]3(Cc2c(O%10)c(cc(c2)C)C23CC7CC(CC(C2)C7)C3)Cc2c(O9)c(cc(c2)C)C23CC7CC(CC(C2)C7)C3)cc(cc1C12CC3CC(CC(C1)C3)C2)C)Oc1c(C[N]4(Cc2c(O5)c(cc(c2)C)C23CC4CC(CC(C2)C4)C3)Cc2c(O6)c(cc(c2)C)C23CC4CC(CC(C2)C4)C3)cc(cc1C12CC3CC(CC(C1)C3)C2)C.[U]123456(S[S]1[U]1789([S]3[S]28)Oc2c(C[N]1(Cc1c(O9)c(cc(c1)C)C13CC8CC(CC(C1)C8)C3)Cc1c(O7)c(cc(c1)C)C13CC7CC(CC(C1)C7)C3)cc(cc2C12CC3CC(CC(C1)C3)C2)C)Oc1c(C[N]4(Cc2c(O5)c(cc(c2)C)C23CC4CC(CC(C2)C4)C3)Cc2c(O6)c(cc(c2)C)C23CC4CC(CC(C2)C4)C3)cc(cc1C12CC3CC(CC(C1)C3)C2)C.COCCOC.COCCOC.COCCOC.COCCOC.COCCOC |
| Title of publication | Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes |
| Authors of publication | Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten |
| Journal of publication | Chemical Science |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 3 |
| Pages of publication | 942 |
| a | 20.544 ± 0.0003 Å |
| b | 22.5155 ± 0.0003 Å |
| c | 24.1171 ± 0.0003 Å |
| α | 88.407 ± 0.001° |
| β | 84.055 ± 0.001° |
| γ | 75.504 ± 0.001° |
| Cell volume | 10742.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.217 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1513688.cif |
| 105107 | 2014-03-11 | cif/ Adding structures of 1513685, 1513686, 1513687, 1513688 via cif-deposit CGI script. |
1513688.cif |
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Users of the data should acknowledge the original authors of the
structural data.