Information card for entry 4067672

Structure parameters

• Formula: C39 H30 O3 P2 Ru
• Calculated formula: C39 H30 O3 P2 Ru
• SMILES: C(#[O])[Ru](C#[O])(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(methimazolyl)silyl Complexes of Ruthenium
• Authors of publication: Hill, Anthony F.; Neumann, Horst; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 1026
• a: 15.6749 ± 0.0001 Å
• b: 15.6749 ± 0.0001 Å
• c: 23.0971 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4914.71 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No