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Information card for entry 4066674
Preview
| Coordinates | 4066674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | unimc06 |
|---|---|
| Formula | C35 H36 F6 N O6.5 Ru2 S2 |
| Calculated formula | C35 H36 F6 N O6.5 Ru2 S2 |
| SMILES | [Ru]123456789([cH]%10[cH]5[cH]4[cH]3[cH]2[cH]1%10)[c]12[cH]9[cH]8[cH]7[c]61C([c]13[cH]4[Ru]56789%10%111([cH]1[cH]5[cH]6[cH]7[cH]8[cH]91)[c]3([cH]%11[cH]4%10)C2(C)C)(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.n1ccccc1.O |
| 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 | 23.863 ± 0.004 Å |
| b | 16.599 ± 0.003 Å |
| c | 18.119 ± 0.003 Å |
| α | 90° |
| β | 97.919 ± 0.004° |
| γ | 90° |
| Cell volume | 7109 ± 2 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.1035 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1321 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
4066674.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066674.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066674.cif |
| 33955 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066672, 4066673, 4066674, 4066675 via cif-deposit CGI script. |
4066674.cif |
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Users of the data should acknowledge the original authors of the
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