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Information card for entry 4104496
Preview
Coordinates | 4104496.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ru(H)[(SiMe2)(N-[(C5H4N)(SiMe2H)]3(PCy3)2 |
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Formula | C27 H52 N6 Ru Si6 |
Calculated formula | C27 H52 N6 Ru Si6 |
SMILES | c1cccc2[n]1[RuH]13([n]4ccccc4N([Si]1(C)C)[SiH](C)C)([n]1ccccc1N([Si]3(C)C)[SiH](C)C)[Si](C)(C)N2[SiH](C)C |
Title of publication | Versatile Coordination of 2-Pyridinetetramethyldisilazane at Ruthenium: Ru(II) vs Ru(IV) As Evidenced by NMR, X-ray, Neutron, and DFT Studies |
Authors of publication | Mary Grellier; Tahra Ayed; Jean-Claude Barthelat; Alberto Albinati; Sax Mason; Laure Vendier; Yannick Coppel; Sylviane Sabo-Etienne |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 7633 - 7640 |
a | 18.588 ± 0.0003 Å |
b | 18.588 ± 0.0003 Å |
c | 18.8361 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5636.21 ± 0.16 Å3 |
Cell temperature | 20 ± 2 K |
Ambient diffraction temperature | 20 ± 2 K |
Number of distinct elements | 5 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.108 |
Residual factor for significantly intense reflections | 0.0698 |
Weighted residual factors for significantly intense reflections | 0.1306 |
Weighted residual factors for all reflections included in the refinement | 0.1483 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
Diffraction radiation probe | neutron |
Diffraction radiation wavelength | 1.16954 Å |
Diffraction radiation type | neutron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.