Information card for entry 1540434

Structure parameters

• Formula: C65.25 H71.25 As N3 P2
• Calculated formula: C65.252 H71.252 As N3 P2
• 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: 24.123 ± 0.002 Å
• b: 12.4043 ± 0.0009 Å
• c: 39.14 ± 0.003 Å
• α: 90°
• β: 106.871 ± 0.003°
• γ: 90°
• Cell volume: 11207.8 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No