Information card for entry 7123948

Structure parameters

• Formula: C78 H108 Cl4 Ga N4 O P2
• Calculated formula: C72 H94 Cl3.9996 Ga0.9999 N4 O 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: 12.5647 ± 0.0003 Å
• b: 15.8474 ± 0.0003 Å
• c: 20.4584 ± 0.0003 Å
• α: 78.6124 ± 0.0014°
• β: 83.7585 ± 0.0015°
• γ: 76.4065 ± 0.0016°
• Cell volume: 3873.26 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No