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Information card for entry 7037980
Preview
Coordinates | 7037980.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H32 Cl5 D N2 Ru |
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Calculated formula | C32 H29 Cl5 D4 N2 Ru |
SMILES | c12ccccc1N(C(N2Cc1ccccc1)=[Ru]12345([c]6(C)[cH]1[cH]2[c]3([cH]4[cH]56)C(C)C([2H])([2H])[2H])(Cl)Cl)Cc1ccccc1.C([2H])(Cl)(Cl)Cl |
Title of publication | Selective hydrogenation of levulinic acid to γ-valerolactone using in situ generated ruthenium nanoparticles derived from Ru-NHC complexes. |
Authors of publication | Tay, Boon Ying; Wang, Cun; Phua, Pim Huat; Stubbs, Ludger Paul; Huynh, Han Vinh |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 8 |
Pages of publication | 3558 - 3563 |
a | 15.428 ± 0.003 Å |
b | 12.264 ± 0.003 Å |
c | 18.299 ± 0.004 Å |
α | 90° |
β | 114.33 ± 0.03° |
γ | 90° |
Cell volume | 3154.8 ± 1.4 Å3 |
Cell temperature | 110.15 K |
Ambient diffraction temperature | 110.15 K |
Number of distinct elements | 6 |
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 | 0.0582 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1312 |
Weighted residual factors for all reflections included in the refinement | 0.1476 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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