Information card for entry 7119068

Structure parameters

• Formula: C94.45 H106.45 N6 P2
• Calculated formula: C62 H74 N6 P2
• Title of publication: On the behaviour of biradicaloid [P(mu-NTer)]2 towards Lewis acids and bases
• Authors of publication: Alexander Hinz; Axel Schulz; Alexander Villinger
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6328
• a: 12.2213 ± 0.0006 Å
• b: 16.2437 ± 0.0009 Å
• c: 22.0973 ± 0.0012 Å
• α: 97.7 ± 0.003°
• β: 93.029 ± 0.003°
• γ: 106.714 ± 0.002°
• Cell volume: 4144.2 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No