Information card for entry 7034597

Structure parameters

• Formula: C79 H84 Al2 Cl2 F72 N4 O8 P2
• Calculated formula: C79 H84 Al2 Cl2 F72 N4 O8 P2
• Title of publication: Two phosphaalkene radical cations with inverse spin density distributions.
• Authors of publication: Pan, Xiaobo; Wang, Xingyong; Zhang, Zaichao; Wang, Xinping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15099 - 15102
• a: 11.084 ± 0.002 Å
• b: 20.02 ± 0.004 Å
• c: 25.622 ± 0.005 Å
• α: 105.652 ± 0.003°
• β: 92.715 ± 0.003°
• γ: 97.8 ± 0.003°
• Cell volume: 5403 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2403
• Weighted residual factors for all reflections included in the refinement: 0.2789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No