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Information card for entry 4066673
Preview
| Coordinates | 4066673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | unimc04 |
|---|---|
| Formula | C23 H24 Br F3 N2 O5 Ru2 S |
| Calculated formula | C23 H24 Br F3 N2 O5 Ru2 S |
| SMILES | [Ru]12345([Br][Ru]6789(C#[O])([N]#CC)[c]%10%11[c]6([cH]7[cH]8[cH]9%10)C([c]62[cH]3[cH]4[cH]5[c]16C%11(C)C)(C)C)(C#[O])[N]#CC.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Syntheses and Characterization of Ruthenium Complexes Containing a Doubly Linked Dicyclopentadienyl Ligand and Acetonitrile Ligands |
| Authors of publication | Chin, Robert M.; Simonson, Andrew; Mauldin, Joshua; Criswell, Jared; Brennessel, William |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 17 |
| Pages of publication | 3868 |
| a | 8.4019 ± 0.0009 Å |
| b | 15.8995 ± 0.0018 Å |
| c | 19.762 ± 0.002 Å |
| α | 90° |
| β | 90.06 ± 0.002° |
| γ | 90° |
| Cell volume | 2639.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0501 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178558 (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 4/06/66. |
4066673.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066673.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066673.cif |
| 33955 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066672, 4066673, 4066674, 4066675 via cif-deposit CGI script. |
4066673.cif |
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Users of the data should acknowledge the original authors of the
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