Information card for entry 4337138

Structure parameters

• Formula: C27 H56 F6 N9 P Ru Si3
• Calculated formula: C27 H56 F6 N9 P Ru Si3
• SMILES: C12N3CCCN1CCC[N]=2[RuH]12([Si]3(C)C)([N]3=C4N(CCCN4CCC3)[Si](C)(C)[H]1)[N]1=C3N(CCCN3CCC1)[Si]2(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 12.1134 ± 0.0002 Å
• b: 12.8423 ± 0.0003 Å
• c: 16.9086 ± 0.0003 Å
• α: 101.722 ± 0.002°
• β: 105.697 ± 0.002°
• γ: 110.022 ± 0.002°
• Cell volume: 2248.41 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No