Information card for entry 7047169

Structure parameters

• Common name: hj3052
• Formula: C52 H46 B F15 N2 Ru
• Calculated formula: C52 H46 B F15 N2 Ru
• Title of publication: Synthesis, structures, and reactivity studies of cyclometalated N-heterocyclic carbene complexes of ruthenium.
• Authors of publication: Liu, Hsueh-Ju; Ziegler, Micah S.; Tilley, T. Don
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 35
• Pages of publication: 12138 - 12146
• a: 15.4693 ± 0.0019 Å
• b: 16.581 ± 0.002 Å
• c: 21.2 ± 0.003 Å
• α: 78.787 ± 0.002°
• β: 88.279 ± 0.002°
• γ: 63.664 ± 0.002°
• Cell volume: 4770.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2124
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No