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Information card for entry 4337911
Preview
| Coordinates | 4337911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H60 N O1.5 P4 Ru |
|---|---|
| Calculated formula | C57 H53 N P4 Ru |
| SMILES | [RuH2]12([P](CN(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis, Characterization, and Reactivity of Ruthenium Hydride Complexes of N-Centered Triphosphine Ligands. |
| Authors of publication | Phanopoulos, Andreas; Brown, Neil J.; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 3742 |
| a | 12.22 ± 0.0002 Å |
| b | 20.1647 ± 0.0003 Å |
| c | 22.2859 ± 0.0003 Å |
| α | 90° |
| β | 102.413 ± 0.0017° |
| γ | 90° |
| Cell volume | 5363.15 ± 0.14 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.0489 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4337911.cif |
| 110325 | 2014-04-18 | cod/cif/ (saulius@koala.ibt.lt) Appending periods (".") to author initials in the recently added bibliographies (using 'cif_reformat_pubmed_author_names'). |
4337911.cif |
| 109921 | 2014-04-17 | cif/ Updating files of 4337910, 4337911, 4337912, 4337913, 4337914, 4337915 Original log message: Adding full bibliography for 4337910--4337915.cif. |
4337911.cif |
| 108486 | 2014-04-02 | cif/ Adding structures of 4337910, 4337911, 4337912, 4337913, 4337914, 4337915 via cif-deposit CGI script. |
4337911.cif |
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Users of the data should acknowledge the original authors of the
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