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Information card for entry 2236010
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| Coordinates | 2236010.cif |
|---|---|
| Structure factors | 2236010.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>'-diphenylthioureato- κ^2^<i>S</i>,<i>O</i>)(η^4^-cycloocta-1,5-diene)rhodium(I) |
|---|---|
| Formula | C28 H27 N2 O Rh S |
| Calculated formula | C28 H27 N2 O Rh S |
| SMILES | [Rh]1234([CH]5=[CH]1CC[CH]2=[CH]3CC5)OC(=NC(=[S]4)N(c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | (<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>'-diphenylthioureato-κ^2^<i>S</i>,<i>O</i>)(η^4^-cycloocta-1,5-diene)rhodium(I) |
| Authors of publication | Warsink, Stefan; Roodt, Andreas |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1053 - m1054 |
| a | 9.8028 ± 0.0004 Å |
| b | 11.2293 ± 0.0005 Å |
| c | 11.5316 ± 0.0005 Å |
| α | 90.408 ± 0.002° |
| β | 91.684 ± 0.002° |
| γ | 112.183 ± 0.0018° |
| Cell volume | 1174.69 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0331 |
| Residual factor for significantly intense reflections | 0.0276 |
| Weighted residual factors for all reflections included in the refinement | 0.07 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181282 (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 2/23/60. |
2236010.cif 2236010.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2236010.cif 2236010.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236010.cif 2236010.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. | 2236010.cif 2236010.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2236010.cif 2236010.hkl |
| 66098 | 2012-09-06 | cif/ Adding structures of 2236010 via cif-deposit CGI script. |
2236010.cif |
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Users of the data should acknowledge the original authors of the
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