Information card for entry 7128315

Structure parameters

• Formula: C157.51 H154.77 Br0.87 Cl2.13 F18 Fe3 N13 O4.38 P9
• Calculated formula: C157.508 H154.77 Br0.875 Cl2.125 F18 Fe3 N13 O4.377 P9
• 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: 15.2634 ± 0.0003 Å
• b: 20.6508 ± 0.0004 Å
• c: 24.3094 ± 0.0003 Å
• α: 85.532 ± 0.001°
• β: 81.354 ± 0.001°
• γ: 82.679 ± 0.002°
• Cell volume: 7500 ± 0.2 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No