Information card for entry 7106384

Structure parameters

• Formula: C74 H92 F6 N4 O2 Pb
• Calculated formula: C74 H92 F6 N4 O2 Pb
• SMILES: [Pb@]12(O[C@](C(F)(F)F)(c3ccccc3)[C@H](C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C(=N\c1c(cccc1C(C)C)C(C)C)\C)O[C@](C(F)(F)F)(c1ccccc1)[C@H](C(=[N]2c1c(cccc1C(C)C)C(C)C)C)/C(=N/c1c(cccc1C(C)C)C(C)C)C.[Pb@@]12(O[C@@](C(F)(F)F)(c3ccccc3)[C@@H](C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C(=N\c1c(cccc1C(C)C)C(C)C)\C)O[C@@](C(F)(F)F)(c1ccccc1)[C@@H](C(=[N]2c1c(cccc1C(C)C)C(C)C)C)/C(=N/c1c(cccc1C(C)C)C(C)C)C
• Title of publication: Pentafluoropyridine as a fluorinating reagent for preparing a hydrocarbon soluble ?-diketiminatolead(II) monofluoride
• Authors of publication: Anukul Jana; Sankaranarayana Pillai Sarish; Herbert W. Roesky; Dirk Leusser; Ina Objartel; Dietmar Stalke
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5434
• a: 15.706 ± 0.0015 Å
• b: 18.9 ± 0.0018 Å
• c: 26.336 ± 0.003 Å
• α: 90°
• β: 107.093 ± 0.001°
• γ: 90°
• Cell volume: 7472.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.026
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No