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Information card for entry 4326415
Preview
| Coordinates | 4326415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H52 O38 Th6 |
|---|---|
| Calculated formula | C24 H48 O38 Th6 |
| SMILES | C1(=[O][Th]234567([OH2])[O]8[Th]9%10%11%12%13([OH2])([O]4[Th]4%14%15%16([OH2])([O]%17[Th]%18%19%20([O]9[Th]9%218([OH2])([O]3[Th]%17([OH2])([O]%18%21)([O]7%14)([O]=C(O6)C)(OC(C)=[O]%20)([O]=C(C)O9)OC(C)=[O]%15)([O]=C(C)O%12)(OC(=[O]%19)C)[O]=C(C)O5)([OH2])([O]%134)(OC(C)=[O]%16)OC(=[O]%10)C)([O]=C(O%11)C)O1)OC(=[O]2)C)C |
| Title of publication | Thorium(IV) Molecular Clusters with a Hexanuclear Th Core |
| Authors of publication | Karah E. Knope; Richard E. Wilson; Monica Vasiliu; David A. Dixon; L. Soderholm |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 9696 - 9704 |
| a | 16.7506 ± 0.0019 Å |
| b | 16.7506 ± 0.0019 Å |
| c | 19.078 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4635.8 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0656 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0766 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179367 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/64. |
4326415.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326415.cif |
| 48586 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4326415 via cif-deposit CGI script. |
4326415.cif |
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