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Information card for entry 4065816
Preview
Coordinates | 4065816.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 N2 O8 Ru3 |
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Calculated formula | C19 H21 N2 O8 Ru3 |
SMILES | C[N]1(C)[NH]2[Ru]3456(C[CH]73=[CH](C3CCCCC3)[Ru]3257(C(=O)[Ru]163(C4=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O] |
Title of publication | From Allenes to Edge-Bridging Allyl Ligands or Face-Capping Alkenyl Ligands on a Triruthenium Hydrido Carbonyl Cluster: An Experimental and DFT Computational Study† |
Authors of publication | Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; Pérez-Carreño, Enrique; Vázquez-García, Digna |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 21 |
Pages of publication | 4818 |
a | 11.2152 ± 0.0002 Å |
b | 12.4955 ± 0.0002 Å |
c | 34.8874 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4889.1 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0585 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.1355 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4065816.html
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