Information card for entry 4080048

Structure parameters

• Formula: C39 H33 F6 N2 P3 Pt
• Calculated formula: C39 H33 F6 N2 P3 Pt
• Title of publication: Isolation of N-Heterocyclic Alkyl Intermediates en Route to Transition Metal N-Heterocyclic Carbene Complexes: Insight into a C‒H Activation Mechanism
• Authors of publication: Pan, Baofei; Pierre, Sadrach; Bezpalko, Mark W.; Napoline, J. Wesley; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 704
• a: 17.074 ± 0.002 Å
• b: 33.689 ± 0.004 Å
• c: 13.5753 ± 0.0016 Å
• α: 90°
• β: 101.359 ± 0.001°
• γ: 90°
• Cell volume: 7655.6 ± 1.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0416
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No