Information card for entry 7048500

Structure parameters

• Formula: C45 H87 B3 N12 O21 P6 Ru3 S6
• Calculated formula: C45 H87 B3 N12 O21 P6 Ru3 S6
• 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: 9.4439 ± 0.0001 Å
• b: 15.2581 ± 0.0003 Å
• c: 26.4419 ± 0.0004 Å
• α: 93.167 ± 0.0014°
• β: 92.0931 ± 0.0012°
• γ: 93.9263 ± 0.0013°
• Cell volume: 3792.31 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0496
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No