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Information card for entry 4077474
Preview
| Coordinates | 4077474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H43 O9.5 Ru3 |
|---|---|
| Calculated formula | C55 H42 O9.5 Ru3 |
| Title of publication | Reactivity of a Triruthenium Acetylide Complex toward Alkynes and the Silica-Mediated Dehydration of Cluster-Bound Alkynols: X-ray Crystal Structures of the Novel Butadienyl Species [Ru3(CO)8{μ3-η8-C(But)CC(Ph)C(H)Ph}] and the Unusual Complex [Ru3(CO)5(μ-CO){μ3-η5-CC(But)- OC(Ph)2CCH}{μ3-η6-CHC(CPh2OH)COC(CPh2)CH}] |
| Authors of publication | Charmant, Jonathan P. H.; Davies, Guy; King, Philip J.; Wigginton, James R.; Sappa, E. |
| Journal of publication | Organometallics |
| Year of publication | 2000 |
| Journal volume | 19 |
| Journal issue | 12 |
| Pages of publication | 2330 |
| a | 9.8161 ± 0.0017 Å |
| b | 12.972 ± 0.003 Å |
| c | 19.602 ± 0.003 Å |
| α | 81.76 ± 0.03° |
| β | 78.649 ± 0.018° |
| γ | 87.883 ± 0.018° |
| Cell volume | 2421.8 ± 0.8 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0699 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1029 |
| Weighted residual factors for all reflections included in the refinement | 0.1371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4077474.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077474.cif |
| 54587 | 2012-04-28 | cif/ Adding structures of 4077473, 4077474, 4077475 via cif-deposit CGI script. |
4077474.cif |
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Users of the data should acknowledge the original authors of the
structural data.