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Information card for entry 7030449
Preview
Coordinates | 7030449.cif |
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Original paper (by DOI) | HTML |
Formula | C53 H46 Br N O2 P2 Ru S |
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Calculated formula | C53 H46 Br N O2 P2 Ru S |
SMILES | [Ru]1(Br)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([O]=C(O1)CC)=C1Sc2c(N1Cc1ccccc1)cccc2 |
Title of publication | Ruthenium(II) N,S-heterocyclic carbene complexes and transfer hydrogenation of ketones. |
Authors of publication | Ding, Nini; Hor, T. S. Andy |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 42 |
Pages of publication | 10179 - 10185 |
a | 9.9427 ± 0.0004 Å |
b | 24.1566 ± 0.001 Å |
c | 18.7354 ± 0.0007 Å |
α | 90° |
β | 95.813 ± 0.001° |
γ | 90° |
Cell volume | 4476.8 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0652 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.0999 |
Weighted residual factors for all reflections included in the refinement | 0.1075 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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