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Information card for entry 4066916
Preview
| Coordinates | 4066916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H63 Cl7 Ga N O P2 Ru |
|---|---|
| Calculated formula | C41 H63 Cl7 Ga N O P2 Ru |
| SMILES | [Ru]12(Cl)([P](C3CCCCC3)(C3CCCCC3)CC[O]2CC[P]1(C1CCCCC1)C1CCCCC1)([n]1ccccc1)=Cc1ccccc1.[Ga](Cl)(Cl)(Cl)[Cl-].ClCCl |
| Title of publication | Interconversion of Ruthenium-O(CH2CH2PCy2)2Alkylidene and Alkylidyne Hydride Complexes |
| Authors of publication | Boone, Michael P.; Brown, Christopher C.; Ancelet, Travis A.; Stephan, Douglas W. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 19 |
| Pages of publication | 4369 |
| a | 10.713 ± 0.002 Å |
| b | 22.239 ± 0.005 Å |
| c | 20.945 ± 0.004 Å |
| α | 90° |
| β | 100.093 ± 0.007° |
| γ | 90° |
| Cell volume | 4912.8 ± 1.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0549 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178561 (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 4/06/69. |
4066916.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066916.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066916.cif |
| 34023 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066913, 4066914, 4066915, 4066916 via cif-deposit CGI script. |
4066916.cif |
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