Information card for entry 7046701

Structure parameters

• Formula: C36 H36 I2 N8 O4 Ru2
• Calculated formula: C36 H36 I2 N8 O4 Ru2
• Title of publication: A bromo-capped diruthenium(i,i) N-heterocyclic carbene compound for in situ bromine generation with NBS: catalytic olefin aziridination reactions.
• Authors of publication: Sengupta, Gargi; Pandey, Pragati; De, Subhabrata; Ramapanicker, Ramesh; Bera, Jitendra K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 34
• Pages of publication: 11917 - 11924
• a: 21.118 ± 0.002 Å
• b: 21.118 ± 0.002 Å
• c: 17.87 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6901.8 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No