Information card for entry 4347742

Structure parameters

• Formula: C38 H19 Cl2 F8 N4 P
• Calculated formula: C38 H19 Cl2 F8 N4 P
• SMILES: [P]123(F)(F)[n]4c5=C(c6[n]3c(=C(c3n1c(c1[n]2c(=C(c4cc5)c2c(F)cccc2F)cc1)cc3)c1c(F)cccc1F)cc6)c1c(F)cccc1F.ClCCl
• Title of publication: Intriguing Physical and Chemical Properties of Phosphorus Corroles.
• Authors of publication: Vestfrid, Jenya; Kothari, Rashmi; Kostenko, Arseni; Goldberg, Israel; Tumanskii, Boris; Gross, Zeev
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 6061 - 6067
• a: 15.8026 ± 0.0007 Å
• b: 12.6026 ± 0.0005 Å
• c: 16.458 ± 0.0007 Å
• α: 90°
• β: 101.942 ± 0.002°
• γ: 90°
• Cell volume: 3206.7 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No