Information card for entry 4083602

Structure parameters

• Chemical name: (NE)-2,4,6-tris(pentafluorophenyl)-N-(3-{[2,4,6- tris(pentafluorophenyl)phenyl]imino}butan-2-ylidene)aniline
• Formula: C52 H10 F30 N2
• Calculated formula: C52 H10 F30 N2
• SMILES: C/C(=N\c1c(cc(cc1c1c(F)c(c(c(c1F)F)F)F)c1c(F)c(F)c(F)c(c1F)F)c1c(F)c(F)c(F)c(F)c1F)/C(=N/c1c(cc(cc1c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C
• Title of publication: Polyfluorinated Functionalizedm-Terphenyls. New Substituents and Ligands in Organometallic Synthesis
• Authors of publication: Olaru, Marian; Beckmann, Jens; Raţ, Ciprian I.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3012
• a: 7.9614 ± 0.0008 Å
• b: 12.4279 ± 0.0013 Å
• c: 12.8449 ± 0.0014 Å
• α: 98.275 ± 0.002°
• β: 96.412 ± 0.002°
• γ: 108.555 ± 0.002°
• Cell volume: 1175.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1217
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No