Information card for entry 7117587

Structure parameters

• Formula: C88 H72 B F4 N2 P
• Calculated formula: C88 H72 B F4 N2 P
• SMILES: P(c1n(c2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C(c2ccccc2)c2ccccc2)cc[n+]1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Isolation of a Lewis base stabilized parent phosphenium (PH2(+)) and related species.
• Authors of publication: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 64
• Pages of publication: 12732 - 12735
• a: 13.7202 ± 0.0008 Å
• b: 16.4329 ± 0.0011 Å
• c: 19.0854 ± 0.0012 Å
• α: 74.147 ± 0.002°
• β: 78.554 ± 0.002°
• γ: 81.404 ± 0.002°
• Cell volume: 4036.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0727
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No