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Information card for entry 4304397
Preview
| Coordinates | 4304397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H80 Cl14 F6 N8 O6 P4 Ru2 S2 |
|---|---|
| Calculated formula | C76 H80 Cl14 F6 N8 O6 P4 Ru2 S2 |
| SMILES | C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.[P]1([Ru]23([Cl][Ru]45([P](CCn6ccc[n]46)(c4ccccc4)c4ccccc4)([P](CCn4ccc[n]54)(c4ccccc4)c4ccccc4)[Cl]3)([n]3cccn3CC[P]2(c2ccccc2)c2ccccc2)[n]2cccn2CC1)(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Ru and Os Complexes Containing a P,N-Donor Heterotopic Ligand: The Effect of Solvent on Stereochemistry |
| Authors of publication | Dabb, Serin L.; Messerle, Barbara A.; Smith, Matthew K.; Willis, Anthony C. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Journal issue | 8 |
| Pages of publication | 3034 - 3044 |
| a | 33.779 ± 0.007 Å |
| b | 12.67 ± 0.003 Å |
| c | 26.597 ± 0.005 Å |
| α | 90° |
| β | 126.83 ± 0.03° |
| γ | 90° |
| Cell volume | 9111 ± 5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210348 (current) | 2018-09-02 | cif/4/ Updating bibliography in entries 4304395-4304400, 4333500. Marking entry 4333500 as a duplicate of entry 4304396, |
4304397.cif |
| 179081 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/43. |
4304397.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304397.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304397.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304397.cif |
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