Information card for entry 7042042

Structure parameters

• Formula: C34 H43 Cl2 F4 N2 Sb
• Calculated formula: C34 H43 Cl2 F4 N2 Sb
• SMILES: Clc1[n+](cn(c1Cl)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1.[Sb]([F-])(F)(F)F
• Title of publication: Small molecule activation: SbF3 auto-ionization supported by transfer and mesoionic NHC rearrangement.
• Authors of publication: Alič, Blaž; Štefančič, Aleš; Tavčar, Gašper
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3338 - 3346
• a: 11.07389 ± 0.0001 Å
• b: 19.2629 ± 0.0002 Å
• c: 17.40893 ± 0.00015 Å
• α: 90°
• β: 106.02 ± 0.0009°
• γ: 90°
• Cell volume: 3569.38 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No