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Information card for entry 4064552
Preview
| Coordinates | 4064552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C126 H130 B2 N6 O6 P2 Ru2 |
|---|---|
| Calculated formula | C126 H130 B2 N6 O6 P2 Ru2 |
| SMILES | [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[N]123Cc4cccc[n]4[Ru]43([OH][Ru]356([N](Cc7cccc[n]57)(Cc5cccc[n]65)Cc5ccccc5[P]3(c3ccccc3)c3ccccc3)[OH]4)([P](c3c(C2)cccc3)(c2ccccc2)c2ccccc2)[n]2c(C1)cccc2.C1OCCC1.C1CCCO1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCO1.C1CCCO1 |
| Title of publication | Mechanism Investigations of the Endo Cycloisomerization of Alkynols through Isolation and Characterization of Ruthenium Complexes from the Reactions of Alkynes with a Ruthenium Complex |
| Authors of publication | Liu, Pei Nian; Wen, Ting Bin; Ju, Kun Dong; Sung, Herman H.-Y.; Williams, Ian D.; Jia, Guochen |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 9 |
| Pages of publication | 2571 |
| a | 14.3083 ± 0.0007 Å |
| b | 15.0767 ± 0.0007 Å |
| c | 15.4095 ± 0.0007 Å |
| α | 112.824 ± 0.005° |
| β | 104.771 ± 0.004° |
| γ | 107.571 ± 0.004° |
| Cell volume | 2646.2 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.0793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178539 (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 4/06/45. |
4064552.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064552.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064552.cif |
| 32942 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064549, 4064550, 4064551, 4064552 via cif-deposit CGI script. |
4064552.cif |
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