Information card for entry 7133145

Structure parameters

• Formula: C86 H85 B F24 N5 O3 P
• Calculated formula: C84 H82 B F24 N4 O3 P
• Title of publication: P(V)-bis(amidophenolate) ligand cooperation: Stoichiometric C=O-bond cleavage in aldehydes and ketones
• Authors of publication: Karnbrock, Simon Bernhard Hugo; Golz, Christopher; Alcarazo, Manuel
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 12.1449 ± 0.0017 Å
• b: 18.623 ± 0.003 Å
• c: 20.405 ± 0.003 Å
• α: 70.624 ± 0.003°
• β: 73.911 ± 0.004°
• γ: 75.97 ± 0.004°
• Cell volume: 4125.1 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No