Information card for entry 7123946

Structure parameters

• Formula: C70 H86 Cl8 Ga N4 P2
• Calculated formula: C70 H86 Cl8 Ga N4 P2
• Title of publication: Diphosphene radical cations and dications with a π-conjugated C2P2C2-framework
• Authors of publication: Ghadwal, Rajendra S.; Sharma, Mahendra Kumar; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg; Hinz, Alexander; van Gastel, Maurice
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.9028 ± 0.0004 Å
• b: 15.6844 ± 0.0006 Å
• c: 21.5392 ± 0.0008 Å
• α: 100.208 ± 0.003°
• β: 91.64 ± 0.003°
• γ: 96.981 ± 0.003°
• Cell volume: 3593.4 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No