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Information card for entry 4337912
Preview
| Coordinates | 4337912.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H36 N O2 P3 Ru |
|---|---|
| Calculated formula | C41 H36 N O2 P3 Ru |
| SMILES | [Ru]12([P](CN(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O] |
| 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 | 10.16076 ± 0.0001 Å |
| b | 19.30931 ± 0.00018 Å |
| c | 18.25882 ± 0.00019 Å |
| α | 90° |
| β | 101.221 ± 0.0009° |
| γ | 90° |
| Cell volume | 3513.86 ± 0.06 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.0744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179482 (current) | 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 4/33/79. |
4337912.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'). |
4337912.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. |
4337912.cif |
| 108486 | 2014-04-02 | cif/ Adding structures of 4337910, 4337911, 4337912, 4337913, 4337914, 4337915 via cif-deposit CGI script. |
4337912.cif |
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Users of the data should acknowledge the original authors of the
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