Information card for entry 7111216

Structure parameters

• Common name: 02src088
• Formula: C42.5 H53 N5 O
• Calculated formula: C42.5 H53 N5 O
• Title of publication: Stable N-functionalised ‘pincer’ bis carbene ligands and their ruthenium complexes; synthesis and catalytic studies
• Authors of publication: Danopoulos, Andreas A.; Winston, Scott; Motherwell, William B.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1376
• a: 29.947 ± 0.002 Å
• b: 48.76 ± 0.004 Å
• c: 10.9022 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15920 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.1115
• Weighted residual factors for significantly intense reflections: 0.2992
• Weighted residual factors for all reflections included in the refinement: 0.3259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.337
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No