Information card for entry 4337135

Structure parameters

• Formula: C24 H28 Cl3 N9 Ru Si3
• Calculated formula: C24 H28 Cl3 N9 Ru Si3
• SMILES: C[Si]1(C)n2c3c(c(nc[n]3[Ru]3451([n]1c6c(c(nc1)Cl)ccn6[Si]3(C)(C)[H]5)[n]1c3c(ccn3[Si]4(C)C)c(nc1)Cl)Cl)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: 9.7355 ± 0.0006 Å
• b: 9.5108 ± 0.0006 Å
• c: 33.6476 ± 0.0017 Å
• α: 90°
• β: 90.921 ± 0.007°
• γ: 90°
• Cell volume: 3115.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No