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Information card for entry 7037300
Preview
Coordinates | 7037300.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H54 N2 Ru Si |
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Calculated formula | C40 H54 N2 Ru Si |
SMILES | [RuH2]1234([Si](c5ccccc5)(C)C)([cH]5[cH]1[cH]2[cH]3[cH]45)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | NHC carbene supported half-sandwich hydridosilyl complexes of ruthenium: the impact of supporting ligands on SiH interligand interactions. |
Authors of publication | Mai, Van Hung; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 45 |
Journal issue | 1 |
Pages of publication | 208 - 215 |
a | 10.4447 ± 0.0012 Å |
b | 12.3858 ± 0.0014 Å |
c | 15.332 ± 0.0018 Å |
α | 95.821 ± 0.006° |
β | 99.541 ± 0.006° |
γ | 104.375 ± 0.006° |
Cell volume | 1873.5 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.1858 |
Residual factor for significantly intense reflections | 0.1499 |
Weighted residual factors for significantly intense reflections | 0.3379 |
Weighted residual factors for all reflections included in the refinement | 0.3605 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.216 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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