Information card for entry 7048492

Structure parameters

• Formula: C49 H51 B N4 O2 P2 Ru S2
• Calculated formula: C49 H51 B N4 O2 P2 Ru S2
• Title of publication: Methimazolyl based diptych bicyclo-[3.3.0]-ruthenaboratranes.
• Authors of publication: Ma, Chenxi; Hill, Anthony F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1976 - 1992
• a: 12.2141 ± 0.0001 Å
• b: 24.289 ± 0.0002 Å
• c: 15.8351 ± 0.0001 Å
• α: 90°
• β: 99.4996 ± 0.0007°
• γ: 90°
• Cell volume: 4633.35 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0204
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No