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Information card for entry 4305731
Preview
| Coordinates | 4305731.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H22 B N2 O4 Rh |
|---|---|
| Calculated formula | C26 H22 B N2 O4 Rh |
| SMILES | [Rh]123456([n]7c(C=[N]1c1c(cccc1C)C)cccc7)[c]17[cH]2[cH]3[cH]4[cH]5[c]67O[B]2(O1)Oc1ccccc1O2 |
| Title of publication | Synthesis, Characterization, and Reactivity of Rhodium(I) Acetylacetonato Complexes Containing Pyridinecarboxaldimine Ligands |
| Authors of publication | Diane A. Kanas; Stephen J. Geier; Christopher M. Vogels; Andreas Decken; Stephen A. Westcott |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 8727 - 8735 |
| a | 11.245 ± 0.004 Å |
| b | 15.187 ± 0.006 Å |
| c | 13.529 ± 0.005 Å |
| α | 90° |
| β | 94.561 ± 0.006° |
| γ | 90° |
| Cell volume | 2303.1 ± 1.5 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 K |
| 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 all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4305731.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4305731.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305731.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305731.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305731.cif |
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