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Information card for entry 2241617
Preview
| Coordinates | 2241617.cif |
|---|---|
| Structure factors | 2241617.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>OC</i>-6-42)-Ethanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III) |
|---|---|
| Formula | C31 H33 N4 O4 Rh |
| Calculated formula | C31 H33 N4 O4 Rh |
| SMILES | [Rh]12([OH]CC)(N3C(=O)NC(=O)C(C)=C3)([n]3ccccc3c3ccccc13)[n]1ccccc1c1ccccc21.OCC |
| Title of publication | Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand |
| Authors of publication | Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 543 - 547 |
| a | 11.1082 ± 0.0005 Å |
| b | 15.5556 ± 0.0006 Å |
| c | 32.6747 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5646 ± 0.4 Å3 |
| Cell temperature | 192 ± 2 K |
| Ambient diffraction temperature | 192 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0322 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0741 |
| Weighted residual factors for all reflections included in the refinement | 0.0757 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181917 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241617.cif 2241617.hkl |
| 179691 | 2016-03-25 | cif/ hkl/ Adding structures of 2241615, 2241616, 2241617 via cif-deposit CGI script. |
2241617.cif 2241617.hkl |
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Users of the data should acknowledge the original authors of the
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