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Information card for entry 7006636
Preview
| Coordinates | 7006636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H30 Cl2 N6 O8 Ru S2 |
|---|---|
| Calculated formula | C30 H30 Cl2 N6 O8 Ru S2 |
| SMILES | c12c(cccc1)[nH]c1CC[S]3CC[S]4CCc5[n](c6ccccc6[nH]5)[Ru]534([n]21)[n]1ccccc1c1cccc[n]51.[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 | 12.123 ± 0.005 Å |
| b | 22.873 ± 0.007 Å |
| c | 12.63 ± 0.012 Å |
| α | 90° |
| β | 104.96 ± 0.05° |
| γ | 90° |
| Cell volume | 3383 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1035 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1551 |
| Weighted residual factors for all reflections included in the refinement | 0.2156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| 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. |
7006636.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006636.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006636.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006636.cif |
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Users of the data should acknowledge the original authors of the
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