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Information card for entry 4085628
Preview
| Coordinates | 4085628.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H78 F6 N7 O2 Os P3 |
|---|---|
| Calculated formula | C64 H62 F6 N7 Os P3 |
| SMILES | [Os]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(N3C(=Nc4[n]1ccc(c4)C(C)(C)C)c1c(C3=Nc3[n]2ccc(c3)C(C)(C)C)cc(c(c1)C)C)[N]#N.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Bis(pyridylimino)isoindolato (BPI) Osmium Complexes: Structural Chemistry and Reactivity |
| Authors of publication | Müller, Astrid L.; Wadepohl, Hubert; Gade, Lutz H. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 12 |
| Pages of publication | 2810 |
| a | 11.2862 ± 0.0004 Å |
| b | 13.6767 ± 0.0004 Å |
| c | 21.7263 ± 0.0007 Å |
| α | 80.26 ± 0.003° |
| β | 87.686 ± 0.003° |
| γ | 81.116 ± 0.003° |
| Cell volume | 3265.28 ± 0.19 Å3 |
| Cell temperature | 110 ± 1 K |
| Ambient diffraction temperature | 110 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.083 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1398 |
| Weighted residual factors for all reflections included in the refinement | 0.1514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178745 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/56. |
4085628.cif |
| 140201 | 2015-07-05 | cif/ Updating files of 4085628, 4085629, 4085630, 4085631 Original log message: Adding full bibliography for 4085628--4085631.cif. |
4085628.cif |
| 134220 | 2015-03-21 | cif/ Adding structures of 4085628, 4085629, 4085630, 4085631 via cif-deposit CGI script. |
4085628.cif |
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Users of the data should acknowledge the original authors of the
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