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Information card for entry 2233887
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| Coordinates | 2233887.cif |
|---|---|
| Structure factors | 2233887.hkl |
| Original IUCr paper | HTML |
| Chemical name | {μ-5-[1,3-Bis(2,4,6-trimethylphenyl)-3<i>H</i>-imidazolium-2-yl]- 2-(2-oxoethenyl-1κ<i>C</i>^1^)furan-3-yl-2κ<i>C</i>^3^}-μ-hydrido- bis(tetracarbonylrhenium) tetrahydrofuran 0.67-solvate |
|---|---|
| Formula | C37.66 H31.33 N2 O10.67 Re2 |
| Calculated formula | C37.664 H31.328 N2 O10.666 Re2 |
| Title of publication | {μ-5-[1,3-Bis(2,4,6-trimethylphenyl)-3<i>H</i>-imidazolium-2-yl]-2-(2-oxoethenyl-1κ<i>C</i>^1^)furan-3-yl-2κ<i>C</i>^3^}-μ-hydrido-bis(tetracarbonylrhenium) tetrahydrofuran 0.67-solvate |
| Authors of publication | Landman, Marilé; van der Westhuizen, Belinda; Bezuidenhout, Daniela I.; Liles, David C. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m308 - m309 |
| a | 12.7058 ± 0.0007 Å |
| b | 13.8293 ± 0.0008 Å |
| c | 13.9679 ± 0.0008 Å |
| α | 60.76 ± 0.001° |
| β | 77.68 ± 0.001° |
| γ | 89.564 ± 0.001° |
| Cell volume | 2078.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0523 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1239 |
| Weighted residual factors for all reflections included in the refinement | 0.1368 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (current) | 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 2/23/38. |
2233887.cif 2233887.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. |
2233887.cif 2233887.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233887.cif 2233887.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233887.cif 2233887.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233887.cif 2233887.hkl |
| 51139 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233887 via cif-deposit CGI script. |
2233887.cif |
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Users of the data should acknowledge the original authors of the
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