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Information card for entry 2227838
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| Coordinates | 2227838.cif |
|---|---|
| Structure factors | 2227838.hkl |
| Original IUCr paper | HTML |
| Common name | (COD)(N,N'-diethylthiourea)rhodium(I)chloride |
|---|---|
| Chemical name | Chlorido(η^4^-cycloocta-1,5-diene)(<i>N</i>,<i>N</i>'- diethylthiourea-κ<i>S</i>)rhodium(I) |
| Formula | C13 H24 Cl N2 Rh S |
| Calculated formula | C13 H24 Cl N2 Rh S |
| SMILES | C(=[S][Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl)(NCC)NCC |
| Title of publication | Chlorido(<i>{η</i>}^4^-cycloocta-1,5-diene)(<i>N</i>,<i>N</i>'-diethylthiourea-κ<i>S</i>)rhodium(I) |
| Authors of publication | Brancatelli, Giovanna; Drommi, Dario; Bruno, Giuseppe; Faraone, Felice |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m1368 |
| a | 7.295 ± 0.005 Å |
| b | 8.705 ± 0.005 Å |
| c | 12.602 ± 0.005 Å |
| α | 101.727 ± 0.005° |
| β | 102.058 ± 0.005° |
| γ | 94.765 ± 0.005° |
| Cell volume | 759.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0171 |
| Residual factor for significantly intense reflections | 0.016 |
| Weighted residual factors for all reflections included in the refinement | 0.0418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181199 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/78. |
2227838.cif 2227838.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227838.cif 2227838.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227838.cif 2227838.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. | 2227838.cif 2227838.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227838.cif 2227838.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227838.cif 2227838.hkl |
| 4875 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227838 via cif-deposit CGI script. |
2227838.cif |
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Users of the data should acknowledge the original authors of the
structural data.