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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 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4064552.html
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