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Information card for entry 4064497
Preview
| Coordinates | 4064497.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 Br2 N8 O4 Ru2 |
|---|---|
| Calculated formula | C36 H36 Br2 N8 O4 Ru2 |
| SMILES | C(#[O])[Ru]1(C#[O])(Br)([n]2c3nc(C)cc(C)c3ccc2N2C=CN(C=12)C(C)C)[Ru]1(C#[O])(C#[O])([n]2c3nc(C)cc(C)c3ccc2N2C=CN(C=12)C(C)C)Br |
| 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 | 13.619 ± 0.003 Å |
| b | 10.35 ± 0.003 Å |
| c | 13.132 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1851 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0741 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1462 |
| Weighted residual factors for all reflections included in the refinement | 0.1615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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. |
4064497.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064497.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064497.cif |
| 32928 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064497, 4064498 via cif-deposit CGI script. |
4064497.cif |
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