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Information card for entry 4064498
Preview
| Coordinates | 4064498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H21 Br N4 O6 Ru2 |
|---|---|
| Calculated formula | C30 H21 Br N4 O6 Ru2 |
| SMILES | [Ru]123([Ru](Br)(C#[O])([n]4cccc5cc(c6ccccc6)c([n]1c45)N1C=3N(Cc3ccccc3)C=C1)([O]=C(O2)C)C#[O])(C#[O])C#[O] |
| Title of publication | Site-Directed Anchoring of an N-Heterocyclic Carbene on a Dimetal Platform: Evaluation of a Pair of Diruthenium(I) Catalysts for Carbene-Transfer Reactions from Ethyl Diazoacetate |
| Authors of publication | Saha, Biswajit; Ghatak, Tapas; Sinha, Arup; Rahaman, S. M. Wahidur; Bera, Jitendra K. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 7 |
| Pages of publication | 2051 |
| a | 26.344 ± 0.007 Å |
| b | 19.94 ± 0.006 Å |
| c | 13.903 ± 0.004 Å |
| α | 90° |
| β | 121.345 ± 0.004° |
| γ | 90° |
| Cell volume | 6237 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178538 (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 4/06/44. |
4064498.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064498.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064498.cif |
| 32928 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064497, 4064498 via cif-deposit CGI script. |
4064498.cif |
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