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Information card for entry 4063850
Preview
| Coordinates | 4063850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H74 Ag2 B2 F8 Ir2 O6 P4 |
|---|---|
| Calculated formula | C52 H74 Ag2 B2 Cl8 F8 Ir2 O6 P4 |
| SMILES | [B](F)(F)(F)[F-].C(#[O])[Ir]1234c5c[cH](ccc5O[P]1(C(C)C)C(C)C)[Ag]1[cH]5c6c(ccc5)O[P](C(C)C)(C(C)C)[Ir]56(C#[O])(c6c[cH]([Ag]([cH]7c2c(ccc7)O[P]3(C(C)C)C(C)C)[Cl]4)ccc6O[P]5(C(C)C)C(C)C)[Cl]1.C(Cl)(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)(Cl)Cl |
| Title of publication | Activation of a Nonstrained C(sp2)−C(sp2) Single Bond in a Vaska Complex Analogue Using Chelating Assistance |
| Authors of publication | Obenhuber, Andreas; Ruhland, Klaus |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 1 |
| Pages of publication | 171 |
| a | 11.5232 ± 0.0006 Å |
| b | 18.726 ± 0.0009 Å |
| c | 15.6066 ± 0.0008 Å |
| α | 90° |
| β | 94.88 ± 0.002° |
| γ | 90° |
| Cell volume | 3355.4 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0326 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0706 |
| Weighted residual factors for all reflections included in the refinement | 0.0769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4063850.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063850.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063850.cif |
| 32698 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4063850 via cif-deposit CGI script. |
4063850.cif |
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Users of the data should acknowledge the original authors of the
structural data.