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Information card for entry 2239990
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| Coordinates | 2239990.cif |
|---|---|
| Structure factors | 2239990.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[chloridorhenium(III)](<i>Re</i>—<i>Re</i>) |
|---|---|
| Formula | C16 H28 Cl2 O8 Re2 |
| Calculated formula | C16 H28 Cl2 O8 Re2 |
| SMILES | C1(CCC)=[O][Re]234(Cl)[O]=C(CCC)O[Re]4(O1)([O]=C(CCC)O2)([O]=C(CCC)O3)Cl |
| Title of publication | Crystal structure of tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[chloridorhenium(III)](<i>Re</i>—<i>Re</i>) |
| Authors of publication | Thomson, Michael P.; O'Rourke, Natasha F.; Wang, Ruiyao; Aquino, Manuel A. S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | m349 - m350 |
| a | 6.7292 ± 0.0004 Å |
| b | 12.0367 ± 0.0008 Å |
| c | 14.6737 ± 0.0009 Å |
| α | 90° |
| β | 99.262 ± 0.001° |
| γ | 90° |
| Cell volume | 1173.04 ± 0.13 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.022 |
| Residual factor for significantly intense reflections | 0.0192 |
| Weighted residual factors for significantly intense reflections | 0.0474 |
| Weighted residual factors for all reflections included in the refinement | 0.0486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181899 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/99. |
2239990.cif 2239990.hkl |
| 181318 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/99. |
2239990.cif 2239990.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239990.cif 2239990.hkl |
| 123952 | 2014-09-18 | cif/ hkl/ Adding structures of 2239990 via cif-deposit CGI script. |
2239990.cif 2239990.hkl |
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Users of the data should acknowledge the original authors of the
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