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Information card for entry 4070218
Preview
| Coordinates | 4070218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H32 B2 F3 N10 O4 P Ru S |
|---|---|
| Calculated formula | C34 H32 B2 F3 N10 O4 P Ru S |
| SMILES | [Ru]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([n]4n([BH](n5[n]1ccc5)n1[n]2ccc1)ccc4)[n]1n(B(n2[n]3ccc2)O)ccc1.O=S(=O)([O-])C(F)(F)F |
| Title of publication | Unusual Reactivity of the Bis(pyrazolyl)borate Chelate: B−H for B−X (X = F, Cl, OH) Substitution in Complexes of Ruthenium |
| Authors of publication | Page, Michael J.; Messerle, Barbara A.; Wagler, Jörg |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 21 |
| Pages of publication | 6145 |
| a | 11.3506 ± 0.0001 Å |
| b | 22.9442 ± 0.0003 Å |
| c | 15.5326 ± 0.0002 Å |
| α | 90° |
| β | 109.727 ± 0.001° |
| γ | 90° |
| Cell volume | 3807.76 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0552 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4070218.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070218.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070218.cif |
| 40637 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070218 via cif-deposit CGI script. |
4070218.cif |
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Users of the data should acknowledge the original authors of the
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