Information card for entry 4337137

Structure parameters

• Common name: [RuH{kappa-Si,N-(SiMe2)(C7H12N3)}3]
• Formula: C27 H55 N9 Ru Si3
• Calculated formula: C27 H55 N9 Ru Si3
• SMILES: C[Si]1(C)N2C3=[N](CCCN3CCC2)[Ru]231([N]1CCCN4CCCN(C=14)[Si](C)(C)[H]3)[N]1CCCN3CCCN(C=13)[Si]2(C)C
• 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: 9.3703 ± 0.0002 Å
• b: 18.4278 ± 0.0005 Å
• c: 18.8875 ± 0.0005 Å
• α: 90°
• β: 92.53 ± 0.001°
• γ: 90°
• Cell volume: 3258.2 ± 0.14 ų
• Cell temperature: 20 ± 2 K
• Ambient diffraction temperature: 20 ± 2 K
• Number of distinct elements: 5
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.17 Å
• Diffraction radiation type: monochromatic
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No