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Information card for entry 2236159
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| Coordinates | 2236159.cif |
|---|---|
| Structure factors | 2236159.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ~2~-<i>m</i>-Xylylenebis(salicylaldiminato)- bis(η^4^-1,5-cyclooctadiene)dirhodium(I) dichloromethane solvate |
|---|---|
| Formula | C39 H44 Cl2 N2 O2 Rh2 |
| Calculated formula | C39 H44 Cl2 N2 O2 Rh2 |
| SMILES | [CH]12=[CH]3CC[CH]4=[CH](CC1)[Rh]1234[N](Cc2cccc(c2)C[N]2=Cc3ccccc3O[Rh]3452[CH]2=[CH]3CC[CH]4=[CH]5CC2)=Cc2c(cccc2)O1.C(Cl)Cl |
| Title of publication | μ~2~-<i>m</i>-Xylylenebis(salicylaldiminato)-bis(η^4^-1,5-cyclooctadiene)dirhodium(I) dichloromethane solvate |
| Authors of publication | Gregory, Stacie; Laxman, Ravi K.; Fronczek, Frank R.; Maverick, Andrew W.; Watkins, Steven F. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m1316 - m1317 |
| a | 16.0829 ± 0.0004 Å |
| b | 18.8607 ± 0.0004 Å |
| c | 11.2352 ± 0.0002 Å |
| α | 90° |
| β | 99.081 ± 0.001° |
| γ | 90° |
| Cell volume | 3365.31 ± 0.13 Å3 |
| Cell temperature | 90 ± 0.5 K |
| Ambient diffraction temperature | 90 ± 0.5 K |
| Cell measurement pressure | 101.3 kPa |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for all reflections included in the refinement | 0.0765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181283 (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 2/23/61. |
2236159.cif 2236159.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. |
2236159.cif 2236159.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236159.cif 2236159.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. | 2236159.cif 2236159.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236159.cif 2236159.hkl |
| 69704 | 2012-12-21 | cif/ Adding structures of 2236159 via cif-deposit CGI script. |
2236159.cif |
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Users of the data should acknowledge the original authors of the
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