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Information card for entry 4079680
Preview
Coordinates | 4079680.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H38 Cl2 N8 O20 Ru6 |
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Calculated formula | C53 H38 Cl2 N8 O20 Ru6 |
SMILES | C12N(C)C=CN1Cc1ccccc1CN1C=CN(C1=[Ru]1(C#[O])(C#[O])(C#[O])[Ru]=2(C#[O])(C#[O])(C#[O])[Ru]1(C#[O])(C#[O])(C#[O])C#[O])C.C(Cl)Cl |
Title of publication | Reactivity of a Bis(N-heterocyclic carbene) with Ruthenium Carbonyl. Synthesis of Mono- and Trinuclear Derivatives and Ligand Modification via C‒H Bond Activation |
Authors of publication | Cabeza, Javier A.; Damonte, Marina; Pérez-Carreño, Enrique |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 23 |
Pages of publication | 8355 |
a | 18.1595 ± 0.0002 Å |
b | 16.0778 ± 0.0001 Å |
c | 21.4623 ± 0.0002 Å |
α | 90° |
β | 108.734 ± 0.001° |
γ | 90° |
Cell volume | 5934.25 ± 0.1 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0395 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0586 |
Weighted residual factors for all reflections included in the refinement | 0.0631 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4079680.html
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