Information card for entry 7047170

Structure parameters

• Common name: hj4156
• Formula: C45.5 H63 N2 Ru Si
• Calculated formula: C45.5 H63 N2 Ru Si
• 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: 11.0987 ± 0.0005 Å
• b: 11.9821 ± 0.0006 Å
• c: 30.851 ± 0.0015 Å
• α: 90°
• β: 94.924 ± 0.003°
• γ: 90°
• Cell volume: 4087.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No