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Information card for entry 4067747
Preview
| Coordinates | 4067747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H43 N3 O5 Ru |
|---|---|
| Calculated formula | C50 H43 N3 O5 Ru |
| SMILES | [Ru]12([O]=C(C=C2Nc2ccccc2)c2ccc(cc2)C)(OC(=CC=[N]1c1ccccc1)c1ccc(cc1)C)(C#[O])C#[O].O=C(\C=C/Nc1ccccc1)c1ccc(cc1)C |
| Title of publication | Isolation and Characterization of New Mono- and Polynuclear Complexes Formed in the Thermal Reaction of Ru3(CO)12with 1-(4-Tolyl)-3-phenylaminoprop-2-en-1-one |
| Authors of publication | Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel’tser, Nikolay A.; Petrovskii, Pavel V.; Peregudov, Alexander S.; Kreindlin, Arkadii Z.; Antipin, Mikhail Yu. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 4 |
| Pages of publication | 1012 |
| a | 10.256 ± 0.006 Å |
| b | 27.132 ± 0.015 Å |
| c | 15.157 ± 0.009 Å |
| α | 90° |
| β | 91.619 ± 0.008° |
| γ | 90° |
| Cell volume | 4216 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.2104 |
| Residual factor for significantly intense reflections | 0.0749 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.1537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.834 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178568 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/77. |
4067747.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067747.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067747.cif |
| 34282 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067745, 4067746, 4067747, 4067748, 4067749, 4067750 via cif-deposit CGI script. |
4067747.cif |
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