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Information card for entry 4315259
Preview
| Coordinates | 4315259.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [TcOCl3(OH2)(THF)].2THF |
|---|---|
| Chemical name | Aquatrichlorooxotetrahydofurantechnetium(V) tetrahydrofurane solvate |
| Formula | C12 H26 Cl3 O5 Tc |
| Calculated formula | C12 H26 Cl3 O5 Tc |
| SMILES | [Tc](Cl)(Cl)(Cl)(=O)([OH2])[O]1CCCC1.O1CCCC1.O1CCCC1 |
| Title of publication | Synthesis, Characterization, and Structures of R3EOTcO3 Complexes (E = C, Si, Ge, Sn, Pb) and Related Compounds |
| Authors of publication | Elisabeth Oehlke; Roger Alberto; Ulrich Abram |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 3525 - 3530 |
| a | 8.294 ± 0.001 Å |
| b | 10.725 ± 0.001 Å |
| c | 11.911 ± 0.002 Å |
| α | 104.19 ± 0.01° |
| β | 109.4 ± 0.01° |
| γ | 97.4 ± 0.01° |
| Cell volume | 942.9 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.075 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179232 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/52. |
4315259.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4315259.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315259.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315259.cif |
| 8402 | 2011-02-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4315259 via cif-deposit CGI script. |
4315259.cif |
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