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Information card for entry 7006808
Preview
| Coordinates | 7006808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Ru(h6-cymene)(2-benzoylpyridine)Cl)BPh4 |
|---|---|
| Formula | C46 H43 B Cl N O Ru |
| Calculated formula | C46 H43 B Cl N O Ru |
| SMILES | c1cccc2C(c3ccccc3)=[O][Ru]34567([c]8([cH]3[cH]4[c]5([cH]6[cH]78)C(C)C)C)(Cl)[n]12.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Aggregation tendency and reactivity toward AgX of cationic half-sandwich ruthenium(II) complexes bearing neutral N,O-ligands. |
| Authors of publication | Zuccaccia, Daniele; Bellachioma, Gianfranco; Cardaci, Giuseppe; Zuccaccia, Cristiano; Macchioni, Alceo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 16 |
| Pages of publication | 1963 - 1971 |
| a | 12.498 ± 0.002 Å |
| b | 9.869 ± 0.002 Å |
| c | 30.431 ± 0.002 Å |
| α | 90° |
| β | 93.523 ± 0.005° |
| γ | 90° |
| Cell volume | 3746.4 ± 1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0867 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179772 (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 7/00/68. |
7006808.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006808.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006808.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006808.cif |
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