Information card for entry 4089370

Structure parameters

• Common name: holrc39
• Formula: C97 H131 B Cl6 F4 N2
• Calculated formula: C97 H131 B Cl6 F4 N2
• Title of publication: Remote Substitution onN-Heterocyclic Carbenes Heightens the Catalytic Reactivity of Their Palladium Complexes
• Authors of publication: Dible, Benjamin R.; Cowley, Ryan E.; Holland, Patrick L.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5123
• a: 29.265 ± 0.006 Å
• b: 32.808 ± 0.007 Å
• c: 19.899 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19106 ± 7 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1449
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.2582
• Weighted residual factors for all reflections included in the refinement: 0.3043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No