Information card for entry 1540433

Structure parameters

• Formula: C60 H62 As N3 P
• Calculated formula: C60 H62 As0.9997 N3 P0.9997
• Title of publication: Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements
• Authors of publication: Hinz, Alexander; Schulz, Axel; Villinger, Alexander
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 745
• a: 10.6707 ± 0.0005 Å
• b: 12.7933 ± 0.0006 Å
• c: 20.5386 ± 0.0009 Å
• α: 85.861 ± 0.003°
• β: 82.563 ± 0.003°
• γ: 67.099 ± 0.002°
• Cell volume: 2560.3 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No