Information card for entry 7048496

Structure parameters

• Formula: C51 H48 F7 N4 O P3 Ru S2
• Calculated formula: C51 H48 F7 N4 O P3 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: 14.5664 ± 0.0001 Å
• b: 15.1058 ± 0.0001 Å
• c: 23.6542 ± 0.0002 Å
• α: 90°
• β: 105.46 ± 0.0009°
• γ: 90°
• Cell volume: 5016.48 ± 0.07 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections: 0.1274
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0315
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No