Information card for entry 7704480

Structure parameters

• Formula: C50 H42 Bi Cl6 N3 P2
• Calculated formula: C50 H42 Bi Cl6 N3 P2
• SMILES: [Bi]12(Cl)(Cl)N(c3ccccc3[N]2=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2[N]1=P(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• 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: 17.475 ± 0.003 Å
• b: 15.809 ± 0.002 Å
• c: 17.557 ± 0.003 Å
• α: 90°
• β: 102.452 ± 0.002°
• γ: 90°
• Cell volume: 4736.2 ± 1.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125.03 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: 0.0968
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No