Information card for entry 4086456

Structure parameters

• Common name: unimc22
• Formula: C54 H68 F6 N4 O6 Ru2 S2
• Calculated formula: C54 H68 F6 N4 O6 Ru2 S2
• Title of publication: Syntheses, Characterization, and Reactivity of Diruthenium Hydrido Complexes
• Authors of publication: Wiltse, Heather R.; Johnson, Alyssa N.; Durand, Raphael J.; Brennessel, William; Chin, Robert M.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1079
• a: 17.5416 ± 0.0014 Å
• b: 19.6877 ± 0.0015 Å
• c: 18.0574 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6236.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No