Information card for entry 4078889

Structure parameters

• Formula: C25 H37 B N6 O3 Ru S2
• Calculated formula: C25 H37 B N6 O3.01 Ru S2
• Title of publication: Mixed-Sandwich (Cp*/(HMB))Ru Complexes Containing Bis(methimazolyl)(pyrazolyl)borate (Cp* = η5-C5Me5, HMB = η6-C6Me6)
• Authors of publication: Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 5159
• a: 18.3084 ± 0.0007 Å
• b: 12.002 ± 0.0004 Å
• c: 15.6542 ± 0.0006 Å
• α: 90°
• β: 123.198 ± 0.001°
• γ: 90°
• Cell volume: 2878.38 ± 0.19 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No