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Information card for entry 4085691
Preview
| Coordinates | 4085691.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [T-4-R]-chlorido(methyl 4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-gulopyranoside)-pentamethyl-pentahapto-cyclopentadienylrhodium(III) tetrafluoridoborate acetone |
|---|---|
| Formula | C27 H41 B Cl F4 N2 O5 Rh |
| Calculated formula | C27 H41 B Cl F4 N2 O5 Rh |
| SMILES | [Rh]12345(Cl)([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[NH2][C@H]1[C@@H](OC)O[C@H]2[C@H](O[C@H](OC2)c2ccccc2)[C@H]1[NH2]5.[B](F)(F)(F)[F-].O=C(C)C |
| Title of publication | Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes |
| Authors of publication | Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 8 |
| Pages of publication | 1507 |
| a | 8.5697 ± 0.0004 Å |
| b | 15.5205 ± 0.0007 Å |
| c | 23.1856 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3083.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0673 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1152 |
| Weighted residual factors for all reflections included in the refinement | 0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4085691.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4085691.cif |
| 138301 | 2015-06-05 | cif/ Updating files of 4085684, 4085685, 4085686, 4085687, 4085688, 4085689, 4085690, 4085691, 4085692 Original log message: Adding full bibliography for 4085684--4085692.cif. |
4085691.cif |
| 136329 | 2015-05-13 | cif/ Adding structures of 4085684, 4085685, 4085686, 4085687, 4085688, 4085689, 4085690, 4085691, 4085692 via cif-deposit CGI script. |
4085691.cif |
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Users of the data should acknowledge the original authors of the
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