Information card for entry 7047168

Structure parameters

• Common name: hj4204
• Formula: C58 H52.5 B F15.5 N2 Ru
• Calculated formula: C58 H52.5 B F15.5 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: 12.928 ± 0.0007 Å
• b: 14.3194 ± 0.0007 Å
• c: 14.4973 ± 0.0008 Å
• α: 99.223 ± 0.002°
• β: 99.449 ± 0.002°
• γ: 100.588 ± 0.002°
• Cell volume: 2551.6 ± 0.2 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: 0.0468
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No