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Information card for entry 4074848
Preview
Coordinates | 4074848.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H20 Cl2 N2 O15 Ru6 |
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Calculated formula | C38 H20 Cl2 N2 O15 Ru6 |
SMILES | c12cccc(C)[n]2[Ru]2(C#[O])(C#[O])(C#[O])[Ru]3456([C]78([C]9%103[CH]3=[CH](c%11ccccc%11)[Ru]%113(C#[O])(C#[O])(C#[O])[Ru]3259(C#[O])(C#[O])N214[Ru]167(C(=O)[Ru]8%10%11321(C#[O])C#[O])(C#[O])C#[O])c1ccccc1)(C#[O])C#[O].C(Cl)Cl |
Title of publication | Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC Triple Bond |
Authors of publication | Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 6 |
Pages of publication | 1492 - 1499 |
a | 12.5797 ± 0.0001 Å |
b | 31.0551 ± 0.0004 Å |
c | 12.7125 ± 0.0002 Å |
α | 90° |
β | 117.678 ± 0.001° |
γ | 90° |
Cell volume | 4398.03 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0331 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.0784 |
Weighted residual factors for all reflections included in the refinement | 0.0801 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 1.5418 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/4074848.html
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Users of the data should acknowledge the original authors of the
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