Information card for entry 7048499

Structure parameters

• Formula: C29 H27 B Cl3 N4 O2 P Ru S2
• Calculated formula: C29 H27 B Cl3 N4 O2 P 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: 9.7228 ± 0.0001 Å
• b: 18.6012 ± 0.0001 Å
• c: 17.8876 ± 0.0001 Å
• α: 90°
• β: 97.7641 ± 0.0007°
• γ: 90°
• Cell volume: 3205.42 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0112
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No