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Information card for entry 4081445
Preview
Coordinates | 4081445.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H55 Ir O11 P2 Ru3 |
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Calculated formula | C35 H55 Ir O11 P2 Ru3 |
SMILES | [Ru]1234([Ru]56([Ru]1([Ir]5([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])([C]36=[O]4)C#[O])([H]2)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])C#[O] |
Title of publication | Structures and Bonding of η2-Bridging CO Ligands and Their Influence on the Structures and Rearrangements of Higher Nuclearity Metal Carbonyl Cluster Complexes |
Authors of publication | Adams, Richard D.; Zhang, Qiang |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 18 |
Pages of publication | 5171 |
a | 10.9111 ± 0.001 Å |
b | 14.2152 ± 0.0013 Å |
c | 16.7887 ± 0.0016 Å |
α | 67.474 ± 0.002° |
β | 72.862 ± 0.002° |
γ | 73.707 ± 0.002° |
Cell volume | 2256.7 ± 0.4 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.0614 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.1528 |
Weighted residual factors for all reflections included in the refinement | 0.1609 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4081445.html
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Users of the data should acknowledge the original authors of the
structural data.