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Information card for entry 4105216
Preview
Coordinates | 4105216.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H44 Cl2 N2 Ru |
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Calculated formula | C37 H46 Cl2 N2 Ru |
SMILES | [Ru]12(Cl)(Cl)(=CC3=C(CCCC3(C)C)[C]1#[C]2C1=CCCC1)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | Structure and Reactivity of Alkyne-Chelated Ruthenium Alkylidene Complexes |
Authors of publication | Kung-Pern Wang; Sang Young Yun; Daesung Lee; Donald J. Wink |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 15114 - 15115 |
a | 12.0154 ± 0.0013 Å |
b | 10.6506 ± 0.0011 Å |
c | 13.5976 ± 0.0014 Å |
α | 90° |
β | 94.059 ± 0.002° |
γ | 90° |
Cell volume | 1735.7 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0475 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0762 |
Weighted residual factors for all reflections included in the refinement | 0.0798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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