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Information card for entry 7036925
Preview
Coordinates | 7036925.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 Ir2 O4 |
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Calculated formula | C18 H18 Ir2 O4 |
SMILES | [Ir]12345([Ir]6789(C#[O])([c]%10([c]6([c]7([c]618[c]29%10[c]3([c]4([c]56C)C)C)C)C)C)C#[O])(C#[O])C#[O] |
Title of publication | Group 9 bimetallic carbonyl permethylpentalene complexes. |
Authors of publication | Chadwick, F. Mark; Ashley, Andrew E.; Cooper, Robert T.; Bennett, Luke A.; Green, Jennifer C.; O'Hare, Dermot M |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 46 |
Pages of publication | 20147 - 20153 |
a | 12.2542 ± 0.0003 Å |
b | 10.8292 ± 0.0003 Å |
c | 14.3587 ± 0.0003 Å |
α | 90° |
β | 106.913 ± 0.0011° |
γ | 90° |
Cell volume | 1823.03 ± 0.08 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
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 | 0.0459 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for all reflections | 0.0855 |
Weighted residual factors for significantly intense reflections | 0.0793 |
Weighted residual factors for all reflections included in the refinement | 0.0768 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9982 |
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/7036925.html
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Users of the data should acknowledge the original authors of the
structural data.