Information card for entry 4063634

Structure parameters

• Formula: C30 H62 F4 Ni2 P4
• Calculated formula: C30 H62 F4 Ni2 P4
• Title of publication: Characterization of Intermediates in the C−F Activation of Tetrafluorobenzenes using a Reactive Ni(PEt3)2Synthon: Combined Computational and Experimental Investigation
• Authors of publication: Johnson, Samuel A.; Mroz, Natalia M.; Valdizon, René; Murray, Scott
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 441
• a: 19.2829 ± 0.0019 Å
• b: 9.9632 ± 0.001 Å
• c: 41.32 ± 0.004 Å
• α: 90°
• β: 105.036 ± 0.004°
• γ: 90°
• Cell volume: 7666.6 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No