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Information card for entry 4071972
Preview
| Coordinates | 4071972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C77 H78 B Cl3 N6 P2 Ru |
|---|---|
| Calculated formula | C77 H78 B Cl3 N6 P2 Ru |
| SMILES | [Ru]12(Cl)([P](CCn3nc(cc3C)C)(c3ccccc3)c3ccccc3)([P](CCn3[n]1c(cc3C)C)(c1ccccc1)c1ccccc1)[NH2]N(C=2Cc1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl |
| Title of publication | Formation of Metallacyclobutene Complexes via the Addition of Hydrazines to Ruthenium Vinylidene Complexes |
| Authors of publication | Dabb, Serin L.; Messerle, Barbara A.; Wagler, Jörg |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 18 |
| Pages of publication | 4657 |
| a | 12.4426 ± 0.0002 Å |
| b | 13.8014 ± 0.0002 Å |
| c | 20.2734 ± 0.0003 Å |
| α | 97.111 ± 0.001° |
| β | 100.399 ± 0.001° |
| γ | 91.925 ± 0.001° |
| Cell volume | 3392.35 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0444 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4071972.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071972.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071972.cif |
| 44152 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071972 via cif-deposit CGI script. |
4071972.cif |
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Users of the data should acknowledge the original authors of the
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