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Information card for entry 4338923
Preview
| Coordinates | 4338923.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | H34 O18 Re6 S8 |
|---|---|
| Calculated formula | O18 Re6 S8 |
| SMILES | [Re]1234567([OH2])[Re]89%10%11%12%13([OH2])[Re]%14%15%16%171([OH2])([Re]1%18%19%203(O)([Re]3%2128([OH2])([Re]9%141(O)([S]%183)([S]%12%15)([S]%17%20)[S]%13%21)([S]5%11)[S]7%19)[S]6%16)[S]4%10.O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | A family of octahedral rhenium cluster complexes [Re6Q8(H2O)n(OH)6-n]n-4 (Q=S, Se; n=0-6): structural and pH-dependent spectroscopic studies. |
| Authors of publication | Brylev, Konstantin A.; Mironov, Yuri V.; Yarovoi, Spartak S.; Naumov, Nikolai G.; Fedorov, Vladimir E.; Kim, Sung-Jin; Kitamura, Noboru; Kuwahara, Yusuke; Yamada, Konatsu; Ishizaka, Shoji; Sasaki, Yoichi |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 18 |
| Pages of publication | 7414 - 7422 |
| a | 14.9959 ± 0.0013 Å |
| b | 14.9959 ± 0.0013 Å |
| c | 10.9403 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2130.6 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor for all reflections | 0.0236 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for significantly intense reflections | 0.0547 |
| Weighted residual factors for all reflections included in the refinement | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.285 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179492 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/89. |
4338923.cif |
| 117010 | 2014-06-14 | cif/ Adding structures of 4338922, 4338923, 4338924, 4338925 via cif-deposit CGI script. |
4338923.cif |
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Users of the data should acknowledge the original authors of the
structural data.