Information card for entry 7047171

Structure parameters

• Common name: hj3162
• Formula: C59 H93 K N2 O10.5 Ru
• Calculated formula: C59 H93 K N2 O10.5 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: 41.96 ± 0.003 Å
• b: 12.2682 ± 0.001 Å
• c: 30.258 ± 0.003 Å
• α: 90°
• β: 129.486 ± 0.003°
• γ: 90°
• Cell volume: 12021.3 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No