Information card for entry 4067670

Structure parameters

• Formula: C14 H16 N4 S2 Si
• Calculated formula: C14 H16 N4 S2 Si
• SMILES: [SiH](n1c(=S)n(C)cc1)(n1c(=S)n(C)cc1)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: 7.1934 ± 0.0001 Å
• b: 8.7353 ± 0.0002 Å
• c: 13.617 ± 0.0002 Å
• α: 105.738 ± 0.001°
• β: 95.836 ± 0.001°
• γ: 96.114 ± 0.001°
• Cell volume: 811.23 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No