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Information card for entry 4063506
Preview
| Coordinates | 4063506.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H7 B F4 O3 Ru |
|---|---|
| Calculated formula | C12 H7 B F4 O3 Ru |
| SMILES | [B](F)(F)(F)[F-].C(#[O])[Ru]1234(C#[O])(C#[O])[cH]5[cH]4[c]43[c]2([cH]15)cccc4 |
| Title of publication | Chemical, Electrochemical, and Theoretical Investigations of [(Cp)Ru(CO)3]+and [(Ind)Ru(CO)3]+ |
| Authors of publication | Badger, Robert C.; D'Acchioli, Jason S.; Gamoke, Benjamin C.; Kim, Sang Bok; Oudenhoven, Tracey A.; Sweigart, Dwight A.; Tanke, Robin S. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 2 |
| Pages of publication | 418 - 424 |
| a | 8.6715 ± 0.0002 Å |
| b | 10.7016 ± 0.0002 Å |
| c | 14.3849 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1334.9 ± 0.05 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0203 |
| Residual factor for significantly intense reflections | 0.0196 |
| Weighted residual factors for all reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.0472 |
| Weighted residual factors for all reflections included in the refinement | 0.0475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9904 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4063506.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063506.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063506.cif |
| 22835 | 2011-07-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4063506 via cif-deposit CGI script. |
4063506.cif |
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Users of the data should acknowledge the original authors of the
structural data.