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Information card for entry 4337866
Preview
| Coordinates | 4337866.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H28.5 F12 N7.5 P2 Ru |
|---|---|
| Calculated formula | C25 H28.5 F12 N7.5 P2 Ru |
| SMILES | [Ru]123([n]4ccccc4C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC |
| Title of publication | Ruthenium Tris(2-pyridylmethyl)amine as an Effective Photocaging Group for Nitriles. |
| Authors of publication | Sharma, Rajgopal; Knoll, Jessica D.; Martin, Philip D.; Podgorski, Izabela; Turro, Claudia; Kodanko, Jeremy J. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 3272 |
| a | 12.1129 ± 0.0008 Å |
| b | 12.2928 ± 0.0008 Å |
| c | 21.849 ± 0.0015 Å |
| α | 94.436 ± 0.003° |
| β | 97 ± 0.003° |
| γ | 91.324 ± 0.003° |
| Cell volume | 3217.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0771 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1853 |
| Weighted residual factors for all reflections included in the refinement | 0.1952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.413 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190287 (current) | 2017-01-09 | cif/4: Fixing Z values and formulae |
4337866.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4337866.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'). |
4337866.cif |
| 109909 | 2014-04-17 | cif/ Updating files of 4337866 Original log message: Adding full bibliography for 4337866.cif. |
4337866.cif |
| 108456 | 2014-04-02 | cif/ Adding structures of 4337866 via cif-deposit CGI script. |
4337866.cif |
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