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Information card for entry 7006637
Preview
| Coordinates | 7006637.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H40 Cl4 N4 O8 Ru2 S4 |
|---|---|
| Calculated formula | C32 H40 Cl4 N4 O8 Ru2 S4 |
| SMILES | c12cccc[n]2[Ru]234([n]5c(CC[S]3CC[S]2CC1)cccc5)[Cl][Ru]123([n]5c(cccc5)CC[S]3CC[S]2CCc2cccc[n]12)[Cl]4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Synthesis, structure and spectral and redox properties of new mixed ligand monomeric and dimeric Ru(II) complexes: predominant formation of the "cis-alpha" diastereoisomer and unusual 3MC emission by dimeric complexes. |
| Authors of publication | Murali, Mariappan; Palaniandavar, Mallayan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 5 |
| Pages of publication | 730 - 743 |
| a | 12.114 ± 0.005 Å |
| b | 14.316 ± 0.003 Å |
| c | 23.104 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4007 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1155 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.186 |
| Weighted residual factors for all reflections included in the refinement | 0.2144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179770 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/66. |
7006637.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006637.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006637.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006637.cif |
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Users of the data should acknowledge the original authors of the
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