Information card for entry 1565437

Structure parameters

• Formula: C31 H27 Bi Fe N0 O2
• Calculated formula: C31 H27 Bi Fe O2
• SMILES: [Bi]([c]12[cH]3[Fe]4567891([c]2([cH]6[cH]39)COc1ccccc1C(=O)C)[cH]1[cH]7[cH]8[cH]5[cH]41)(c1ccccc1)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: 23.0691 ± 0.0007 Å
• b: 8.5999 ± 0.0002 Å
• c: 13.9287 ± 0.0004 Å
• α: 90°
• β: 107.263 ± 0.001°
• γ: 90°
• Cell volume: 2638.86 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No