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Information card for entry 4078661
Preview
| Coordinates | 4078661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 Cl4 N2 O4 Ru2 S2 |
|---|---|
| Calculated formula | C26 H28 Cl4 N2 O4 Ru2 S2 |
| SMILES | C[S]1[Ru]234567([cH]8[cH]4[cH]7[cH]6[cH]3[cH]28)[NH](c2ccccc12)[Ru]123467([cH]8[cH]1[cH]3[cH]4[cH]6[cH]78)[NH]5c1ccccc1[S]2C.O.O.[Cl-].[Cl-].O.O.[Cl-].[Cl-] |
| Title of publication | Comparative Study onortho-C‒H vsortho-C‒X (X = C, Cl, S) Bond Activation inortho-Caromatic‒N Bond Fusion in Substituted Anilines Using Ruthenium(II) Mediators: Isolation and Characterization of Unusual Ru2Complexes |
| Authors of publication | Mandal, Sutanuva; Samanta, Subhas; Mondal, Tapan K.; Goswami, Sreebrata |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 15 |
| Pages of publication | 5282 |
| a | 9.0893 ± 0.0008 Å |
| b | 9.4136 ± 0.0008 Å |
| c | 10.684 ± 0.0009 Å |
| α | 64.083 ± 0.001° |
| β | 76.07 ± 0.002° |
| γ | 74.921 ± 0.002° |
| Cell volume | 785.37 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0384 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178675 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/86. |
4078661.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078661.cif |
| 66351 | 2012-09-09 | cif/ Adding structures of 4078656, 4078657, 4078658, 4078659, 4078660, 4078661 via cif-deposit CGI script. |
4078661.cif |
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Users of the data should acknowledge the original authors of the
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