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Information card for entry 4087224
Preview
Coordinates | 4087224.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H33 F6 O P Ru2 S2 |
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Calculated formula | C27 H33 F6 O P Ru2 S2 |
SMILES | [Ru]1234567([Ru]89%10%11%12([S]1c1ccccc1[S]28)(C[c]16[c]3([c]5([c]7([c]41C)C)C)C)[c]1([c]%12([c]%11([c]9([c]%101C)C)C)C)C)C#[O].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | C‒H Activation of Cp* Ligand Coordinated to Ruthenium Center: Synthesis and Reactivity of a Thiolate-Bridged Diruthenium Complex Featuring Fulvene-like Cp* Ligand |
Authors of publication | Ji, Xiaoxiao; Yang, Dawei; Tong, Peng; Li, Jianzhe; Wang, Baomin; Qu, Jingping |
Journal of publication | Organometallics |
Year of publication | 2017 |
a | 10.7896 ± 0.0017 Å |
b | 10.948 ± 0.0017 Å |
c | 12.37 ± 0.002 Å |
α | 93.7 ± 0.004° |
β | 91.029 ± 0.004° |
γ | 91.216 ± 0.004° |
Cell volume | 1457.6 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0339 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0857 |
Weighted residual factors for all reflections included in the refinement | 0.0898 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
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/4087224.html
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Users of the data should acknowledge the original authors of the
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