Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7005242
Preview
| Coordinates | 7005242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H44 Cl4 F6 O4 P3 Ru |
|---|---|
| Calculated formula | C42 H44 Cl4 F6 O4 P3 Ru |
| SMILES | CC1=CC(C)=[O][Ru]2(O1)([P](C#CC)(c1ccccc1)c1ccccc1)(OC(=CC(C)=[O]2)C)[P](C#CC)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].ClCCl.C(Cl)Cl |
| Title of publication | Bis(acetylacetonato)ruthenium(II) complexes containing alkynyldiphenylphosphines. Formation and redox behaviour of [Ru(acac)2(Ph2PC triple bond CR)2] (R=H, Me, Ph) complexes and the binuclear complex cis-[{Ru(acac)2}2(micro-Ph2PC triple bond CPPh2)}2]. |
| Authors of publication | Bennett, Martin A.; Byrnes, Matthew J.; Willis, Anthony C. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 17 |
| Pages of publication | 1677 - 1686 |
| a | 9.79 ± 0.0009 Å |
| b | 11.1192 ± 0.0008 Å |
| c | 11.1518 ± 0.0009 Å |
| α | 104.946 ± 0.006° |
| β | 93.248 ± 0.007° |
| γ | 97.52 ± 0.007° |
| Cell volume | 1157.6 ± 0.17 Å3 |
| Cell temperature | 193.2 K |
| Ambient diffraction temperature | 193.2 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 | 0.0573 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.0414 |
| Weighted residual factors for all reflections included in the refinement | 0.0414 |
| Goodness-of-fit parameter for all reflections | 1.306 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.362 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7005242.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7005242.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005242.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005242.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005242.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.