Information card for entry 4078887

Structure parameters

• Formula: C23.5 H32.25 B F6 N6.75 P Ru S2
• Calculated formula: C23.5 H33.25 B F6 N6.25 P 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: 12.9471 ± 0.0013 Å
• b: 12.1262 ± 0.0013 Å
• c: 21.102 ± 0.002 Å
• α: 90°
• β: 93.458 ± 0.003°
• γ: 90°
• Cell volume: 3307 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1798
• Residual factor for significantly intense reflections: 0.1632
• Weighted residual factors for significantly intense reflections: 0.3434
• Weighted residual factors for all reflections included in the refinement: 0.3515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No