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Information card for entry 4089656
Preview
Coordinates | 4089656.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H46 O17 Ru3 |
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Calculated formula | C31 H46 O17 Ru3 |
SMILES | [Ru]12([OH]3[Ru]4([O]=C(O2)C(C)(C)C)(OC(=[O][Ru]3(OC(=[O]1)C(C)(C)C)([O]=C(O4)C(C)(C)C)(C#[O])C#[O])C(C)(C)C)(C#[O])C#[O])(OC(=O)C(C)(C)C)(C#[O])C#[O] |
Title of publication | [Ru4(CO)8(μ-OOCCH2CH3)4(THF)2] and [Ru3(μ3-OH)(CO)6(μ-OOCtBu)4(OOCtBu)]: Novel Multinuclear Ruthenium Carbonyl Carboxylates |
Authors of publication | Zimmermann, Teresa K.; Ziriakus, Jennifer; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 10 |
Pages of publication | 2667 |
a | 20.3039 ± 0.0006 Å |
b | 11.3972 ± 0.0003 Å |
c | 17.9031 ± 0.0005 Å |
α | 90° |
β | 100.533 ± 0.0011° |
γ | 90° |
Cell volume | 4073.1 ± 0.2 Å3 |
Cell temperature | 123 ± 1 K |
Ambient diffraction temperature | 123 ± 1 K |
Number of distinct elements | 4 |
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 | 0.0164 |
Residual factor for significantly intense reflections | 0.0152 |
Weighted residual factors for significantly intense reflections | 0.0368 |
Weighted residual factors for all reflections included in the refinement | 0.0374 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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/4089656.html
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Users of the data should acknowledge the original authors of the
structural data.