Information card for entry 7128316

Structure parameters

• Formula: C60.45 H66.79 Cl F6 Fe N4.67 O1.28 P3
• Calculated formula: C60.448 H66.788 Cl F6 Fe N4.666 O1.279 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: 19.7512 ± 0.0002 Å
• b: 18.6528 ± 0.0001 Å
• c: 17.5182 ± 0.0002 Å
• α: 90°
• β: 114.124 ± 0.001°
• γ: 90°
• Cell volume: 5890.3 ± 0.11 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 8
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No