Information card for entry 4104748

Structure parameters

• Formula: C29 H45 F6 N2 Ni P3
• Calculated formula: C29 H45 F6 N2 Ni P3
• Title of publication: Noninnocent Behavior of Ancillary Ligands: Apparent Trans Coupling of a Saturated N-Heterocyclic Carbene Unit with an Ethyl Ligand Mediated by Nickel
• Authors of publication: Tobias Steinke; Bryan K. Shaw; Howard Jong; Brian O. Patrick; Michael D. Fryzuk; Jennifer C. Green
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10461 - 10466
• a: 40.497 ± 0.001 Å
• b: 17.8762 ± 0.0006 Å
• c: 18.4624 ± 0.0007 Å
• α: 90°
• β: 101.81 ± 0.002°
• γ: 90°
• Cell volume: 13082.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No