Information card for entry 7128313

Structure parameters

• Formula: C64.33 H73.45 B2 Cl2.48 F6 Fe N4 O5.4 P3
• Calculated formula: C64.328 H73.45 B2 Cl2.48 F6 Fe N4 O5.397 P3
• Title of publication: Late-stage ligand functionalization <i>via</i> the Staudinger reaction using phosphine-appended 2,2'-bipyridine.
• Authors of publication: Taher, Deeb; Wilson, Jessica R.; Ritch, Grayson; Zeller, Matthias; Szymczak, Nathaniel K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 46
• Pages of publication: 5718 - 5721
• a: 23.1444 ± 0.0016 Å
• b: 18.7701 ± 0.0009 Å
• c: 17.1873 ± 0.0008 Å
• α: 90°
• β: 110.277 ± 0.002°
• γ: 90°
• Cell volume: 7003.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.1219
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.2202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No