Information card for entry 1565435

Structure parameters

• Formula: C20 H23 Bi Cl Fe N
• Calculated formula: C20 H23 Bi Cl Fe N
• SMILES: [Bi@@]1(Cl)([N]([C@@H]([c]23[c]41[Fe]1567892([cH]4[cH]1[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91)C)(C)C)c1ccccc1
• Title of publication: Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures
• Authors of publication: Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119353
• a: 8.8561 ± 0.0004 Å
• b: 11.069 ± 0.0004 Å
• c: 19.8591 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1946.75 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No