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Information card for entry 4339187
Preview
| Coordinates | 4339187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | AW06 |
|---|---|
| Chemical name | AW06 |
| Formula | C18 H11 F12 N3 O4 Ru |
| Calculated formula | C18 H11 F12 N3 O4 Ru |
| SMILES | [Ru]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)[n]1ccccc1C1=[N]3CCN1 |
| Title of publication | Synthesis and characterization of ruthenium bis(beta-diketonato) pyridine-imidazole complexes for hydrogen atom transfer. |
| Authors of publication | Wu, Adam; Masland, Joshua; Swartz, Rodney D.; Kaminsky, Werner; Mayer, James M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 26 |
| Pages of publication | 11190 - 11201 |
| a | 9.8715 ± 0.0001 Å |
| b | 19.7664 ± 0.0003 Å |
| c | 23.8995 ± 0.0004 Å |
| α | 90° |
| β | 90.4656 ± 0.0005° |
| γ | 90° |
| Cell volume | 4663.21 ± 0.12 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 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 | 0.1102 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1535 |
| Weighted residual factors for all reflections included in the refinement | 0.1736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4339187.cif |
| 179494 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/91. |
4339187.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. |
4339187.cif |
| 117189 | 2014-06-14 | cif/ Adding structures of 4339187 via cif-deposit CGI script. |
4339187.cif |
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Users of the data should acknowledge the original authors of the
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