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Information card for entry 1519333
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Coordinates | 1519333.cif |
---|
Formula | C66 H66 P4 Ru Si2 |
---|---|
Calculated formula | C66 H66 P4 Ru Si2 |
SMILES | c1(ccccc1)[P]1(c2ccccc2)CC[P](c2ccccc2)(c2ccccc2)[Ru]21(C#CC#C[Si](C)(C)C)(C#CC#C[Si](C)(C)C)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1 |
Title of publication | trans-bis(1,2-bis(Diphenylphosphino)ethane-Io2P,P')-bis(4-(trinethylsilyl) buta-1,3-diynyl)-ruthenium(ii) |
Authors of publication | Hursthouse, Michael B.; Light, Mark E.; Coles, Simon J.; Coe, B. J.; Brookes, N. J.; Anderson, J. N. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2001 |
Pages of publication | 133 |
a | 12.677 ± 0.003 Å |
b | 16.058 ± 0.003 Å |
c | 16.085 ± 0.003 Å |
α | 110.32 ± 0.03° |
β | 93.16 ± 0.03° |
γ | 96.36 ± 0.03° |
Cell volume | 3036.3 ± 1.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0753 |
Residual factor for significantly intense reflections | 0.046 |
Weighted residual factors for significantly intense reflections | 0.1093 |
Weighted residual factors for all reflections included in the refinement | 0.1216 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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