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Information card for entry 4072659
Preview
| Coordinates | 4072659.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H92 N2 O Si2 Th |
|---|---|
| Calculated formula | C62 H92 N2 O Si2 Th |
| SMILES | [Th]12([O]3c4c(N1c1c(cccc1C(C)C)C(C)C)cc(cc4C(c1cc(cc(N2c2c(cccc2C(C)C)C(C)C)c31)C(C)(C)C)(C)C)C(C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C.c1(ccccc1)C |
| Title of publication | Extremely Stable Thorium(IV) Dialkyl Complexes Supported by Rigid Tridentate 4,5-Bis(anilido)xanthene and 2,6-Bis(anilidomethyl)pyridine Ligands |
| Authors of publication | Cruz, Carlos A.; Emslie, David J. H.; Harrington, Laura E.; Britten, James F.; Robertson, Craig M. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 3 |
| Pages of publication | 692 |
| a | 16.6445 ± 0.0005 Å |
| b | 22.5599 ± 0.0007 Å |
| c | 16.8509 ± 0.0005 Å |
| α | 90° |
| β | 107.928 ± 0.002° |
| γ | 90° |
| Cell volume | 6020.2 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1171 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178615 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/26. |
4072659.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072659.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072659.cif |
| 45937 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072659 via cif-deposit CGI script. |
4072659.cif |
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Users of the data should acknowledge the original authors of the
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