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Information card for entry 4063502
Preview
| Coordinates | 4063502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H35 F6 Ir N4 O8 Ru S2 |
|---|---|
| Calculated formula | C38 H35 F6 Ir N4 O8 Ru S2 |
| SMILES | [Ir]1234567([cH]8c9c(O[Ru]%10%11(O9)([n]9ccccc9c9[n]%11cccc9)[n]9ccccc9c9[n]%10cccc9)[cH]1[cH]3[cH]28)[c]1([c]6([c]7([c]4([c]15C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Unprecedented π-Bonded Rhodio- and Iridio-o-Benzoquinones as Organometallic Linkers for the Design of Chiral Octahedral Bimetallic Assemblies |
| Authors of publication | Moussa, Jamal; Rager, Marie Noelle; Chamoreau, Lise Marie; Ricard, Louis; Amouri, Hani |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 2 |
| Pages of publication | 397 - 404 |
| a | 8.65 ± 0.0012 Å |
| b | 39.336 ± 0.004 Å |
| c | 12.8186 ± 0.0017 Å |
| α | 90° |
| β | 108.822 ± 0.01° |
| γ | 90° |
| Cell volume | 4128.4 ± 0.9 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 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 | 0.0767 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178530 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/35. |
4063502.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063502.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063502.cif |
| 22804 | 2011-07-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4063502 via cif-deposit CGI script. |
4063502.cif |
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Users of the data should acknowledge the original authors of the
structural data.