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Information card for entry 4067013
Preview
Coordinates | 4067013.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H46 Cl2 F3 N O3 Ru2 S2 |
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Calculated formula | C30 H46 Cl2 F3 N O3 Ru2 S2 |
SMILES | [Ru]1234567([Cl][Ru]89%10%11%12([Cl])([S]1C[C@H]1[NH]2CCC1)[c]1([c]8(C)[c]9(C)[c]%10([c]%11(C)[c]%121C)C)C)[c]1([c]3(C)[c]4(C)[c]5(C)[c]6(C)[c]71C)C.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Synthesis and Reactivity of 2-Aminoethanethiolato-Bridged Dinuclear Ru(hmb) Complexes (hmb = η6-hexamethylbenzene): Mechanistic Consideration on Transfer Hydrogenation with Bifunctional [RuCl2(hmb)]2/2-Aminoethanethiol Catalyst System |
Authors of publication | Ito, Masato; Watanabe, Akira; Shibata, Yuji; Ikariya, Takao |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 20 |
Pages of publication | 4584 |
a | 9.836 ± 0.003 Å |
b | 12.541 ± 0.004 Å |
c | 14.576 ± 0.004 Å |
α | 94.197 ± 0.013° |
β | 109.132 ± 0.013° |
γ | 101.572 ± 0.015° |
Cell volume | 1645.3 ± 0.9 Å3 |
Cell temperature | 93.1 K |
Ambient diffraction temperature | 93.1 K |
Number of distinct elements | 8 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for significantly intense reflections | 0.0604 |
Weighted residual factors for all reflections included in the refinement | 0.1618 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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