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Information card for entry 4067991
Preview
| Coordinates | 4067991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H10 Cl2 N2 O11 Ru4 |
|---|---|
| Calculated formula | C24 H10 Cl2 N2 O11 Ru4 |
| SMILES | [c]123[c]45[c]67[cH]8[cH]9[cH]1[Ru]35789(C#[O])(C#[O])[Ru]135(C#[O])(C#[O])C(=O)[Ru]73(C(=O)[Ru]257(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[N]41c1c(cccc1)N6.C(Cl)Cl |
| Title of publication | Reaction of [Ru3(CO)12] with Phenazine: Synthesis of C-Metalated Derivatives That Formally Arise from a C‒H Oxidative Addition or a Long-Distance C-to-N Prototropy |
| Authors of publication | Cabeza, Javier A.; García-Álvarez, Pablo; Pruneda, Vanessa |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 3 |
| Pages of publication | 941 |
| a | 10.0952 ± 0.0004 Å |
| b | 11.9576 ± 0.0007 Å |
| c | 12.6553 ± 0.0007 Å |
| α | 103.652 ± 0.005° |
| β | 110.86 ± 0.004° |
| γ | 90.282 ± 0.004° |
| Cell volume | 1380.54 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0558 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1243 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178570 (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 4/06/79. |
4067991.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067991.cif |
| 38049 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4067990, 4067991, 4067992 via cif-deposit CGI script. |
4067991.cif |
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