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Information card for entry 7039465
Preview
Coordinates | 7039465.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H24 B9 O5 P Ru |
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Calculated formula | C11 H24 B9 O5 P Ru |
SMILES | [C]12345[C]678(CC=CC5)[Ru]591([P](OC)(OC)OC)([BH]1%102[BH]2%113[BH]346[BH]46%11[BH]%11%102[BH]291[BH]175[BH]834[BH]6%1121)(C#[O])C#[O] |
Title of publication | Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane. |
Authors of publication | Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 29 |
Pages of publication | 11742 - 11752 |
a | 7.8271 ± 0.0004 Å |
b | 15.8356 ± 0.0007 Å |
c | 7.9871 ± 0.0004 Å |
α | 90° |
β | 95.617 ± 0.003° |
γ | 90° |
Cell volume | 985.22 ± 0.08 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0428 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.0941 |
Weighted residual factors for all reflections included in the refinement | 0.0952 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
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/7039465.html
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Users of the data should acknowledge the original authors of the
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