Information card for entry 4337134

Structure parameters

• Formula: C27 H34 N6 Ru Si3
• Calculated formula: C27 H34 N6 Ru Si3
• SMILES: C[Si]1(C)n2c3c(ccc[n]3[RuH]341([n]1cccc5c1n(cc5)[Si]3(C)C)[n]1cccc3c1n(cc3)[Si]4(C)C)cc2
• Title of publication: Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.
• Authors of publication: Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 1156 - 1165
• a: 15.1399 ± 0.0009 Å
• b: 15.1399 ± 0.0009 Å
• c: 11.2499 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2233.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No