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Information card for entry 4064683
Preview
| Coordinates | 4064683.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H66 P4 Ru S8 |
|---|---|
| Calculated formula | C74 H66 P4 Ru S8 |
| SMILES | CC1=C(SC(=C2SC(=C(S2)C#C[Ru]23([P](c4ccccc4)(c4ccccc4)CC[P]2(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)CC[P]3(c2ccccc2)c2ccccc2)C#CC2=C(C)SC(=C3SC(=C(C)S3)C)S2)C)S1)C |
| Title of publication | Electronically Coupled Tetrathiafulvalene Electrophores across a Non-innocent Acetylide‒Ruthenium Bridge |
| Authors of publication | Vacher, Antoine; Barrière, Frédéric; Roisnel, Thierry; Piekara-Sady, Lidia; Lorcy, Dominique |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 13 |
| Pages of publication | 3570 |
| a | 11.2985 ± 0.0004 Å |
| b | 13.1056 ± 0.0005 Å |
| c | 13.631 ± 0.0005 Å |
| α | 105.621 ± 0.002° |
| β | 90.91 ± 0.002° |
| γ | 114.311 ± 0.002° |
| Cell volume | 1752.9 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0753 |
| Weighted residual factors for all reflections included in the refinement | 0.0784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178540 (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 4/06/46. |
4064683.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064683.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064683.cif |
| 33000 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064681, 4064682, 4064683 via cif-deposit CGI script. |
4064683.cif |
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