Information card for entry 4337132

Structure parameters

• Formula: C24 H32 Cl N3 Ru Si
• Calculated formula: C24 H32 Cl N3 Ru Si
• SMILES: c1[n]2c3c(c(n1)Cl)ccn3[Si](C)(C)[Ru]134562([CH]2=[CH]1CC[CH]3=[CH]4CC2)[CH]1=[CH]5C6CCCC=C1
• 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: 9.6855 ± 0.0005 Å
• b: 14.974 ± 0.0009 Å
• c: 16.1437 ± 0.001 Å
• α: 90°
• β: 107.199 ± 0.002°
• γ: 90°
• Cell volume: 2236.6 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No