Information card for entry 7704479

Structure parameters

• Formula: C28 H40 Bi F6 N O6 P2 S2
• Calculated formula: C28 H40 Bi F6 N O6 P2 S2
• SMILES: [Bi]12([P](c3cc(ccc3N2c2ccc(cc2[P]1(C(C)C)C(C)C)C)C)(C(C)C)C(C)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Title of publication: Squeezing Bi: PNP and P₂N₃ pincer complexes of bismuth.
• Authors of publication: Kindervater, Marcus B.; Hynes, Toren; Marczenko, Katherine M.; Chitnis, Saurabh S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16072 - 16076
• a: 14.6015 ± 0.001 Å
• b: 14.2461 ± 0.0011 Å
• c: 17.5327 ± 0.0014 Å
• α: 90°
• β: 105.912 ± 0.004°
• γ: 90°
• Cell volume: 3507.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• 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: 0.0216
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No