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Information card for entry 4088447
Preview
Coordinates | 4088447.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H41 Cl5 N4 O6 Ru2 |
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Calculated formula | C36 H41 Cl5 N4 O6 Ru2 |
SMILES | [Ru]12345[Ru]6([O]=C(O1)C)([n]1c7[n]2c(ccc7ccc1C=[N]6c1c(cc(cc1C)C)C)C=[N]5c1c(C)cc(cc1C)C)(OC(=[O]4)C)[O]=C(O3)C.[Cl-].ClCCl.ClCCl |
Title of publication | Acceptorless Dehydrogenation of Alcohols on a Diruthenium(II,II) Platform |
Authors of publication | Dutta, Indranil; Sarbajna, Abir; Pandey, Pragati; Rahaman, S. M. Wahidur; Singh, Kuldeep; Bera, Jitendra K. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 10 |
Pages of publication | 1505 |
a | 12.967 ± 0.0006 Å |
b | 17.4964 ± 0.0009 Å |
c | 20.0058 ± 0.001 Å |
α | 70.835 ± 0.001° |
β | 78.576 ± 0.001° |
γ | 75.975 ± 0.001° |
Cell volume | 4124.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.094 |
Residual factor for significantly intense reflections | 0.0667 |
Weighted residual factors for significantly intense reflections | 0.1802 |
Weighted residual factors for all reflections included in the refinement | 0.2007 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4088447.html
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Users of the data should acknowledge the original authors of the
structural data.