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Information card for entry 1513685
Preview
| Coordinates | 1513685.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H162 N2 O12 Se2 U2 |
|---|---|
| Calculated formula | C120 H162 N2 O12 Se2 U2 |
| SMILES | [U]12345([Se]6[U]789([Se]16)(Oc1c(C[N]9(Cc6c(O7)c(cc(c6)C)C67CC9CC(CC(C6)C9)C7)Cc6c(O8)c(cc(c6)C)C67CC8CC(CC(C6)C8)C7)cc(cc1C16CC7CC(CC(C1)C7)C6)C)[O](CC[O]4C)C)Oc1c(C[N]5(Cc4c(O2)c(cc(c4)C)C24CC5CC(CC(C2)C5)C4)Cc2c(O3)c(cc(c2)C)C23CC4CC(CC(C2)C4)C3)cc(cc1C12CC3CC(CC(C1)C3)C2)C.O(C)CCOC.O(CCOC)C |
| 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 | 14.6186 ± 0.0001 Å |
| b | 14.8584 ± 0.0001 Å |
| c | 27.0913 ± 0.0003 Å |
| α | 90.0175 ± 0.0005° |
| β | 93.0811 ± 0.0005° |
| γ | 116.842 ± 0.0004° |
| Cell volume | 5240.86 ± 0.08 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 | 0.0457 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0571 |
| Weighted residual factors for all reflections included in the refinement | 0.0616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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. |
1513685.cif |
| 105107 | 2014-03-11 | cif/ Adding structures of 1513685, 1513686, 1513687, 1513688 via cif-deposit CGI script. |
1513685.cif |
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Users of the data should acknowledge the original authors of the
structural data.