Information card for entry 4337130

Structure parameters

• Formula: C25 H41 N3 Ru Si
• Calculated formula: C25 H41 N3 Ru Si
• SMILES: C12N3CCCN2CCC[N]=1[Ru]12456(C7[CH]1=[CH]2C=CCCC7)([CH]1=[CH]4CC[CH]5=[CH]6CC1)[Si]3(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: 10.8481 ± 0.0009 Å
• b: 14.1928 ± 0.0006 Å
• c: 30.7277 ± 0.0008 Å
• α: 90°
• β: 100.123 ± 0.004°
• γ: 90°
• Cell volume: 4657.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No