Information card for entry 7133142

Structure parameters

• Formula: C70 H63 B Cl3 F24 N2 O3 P
• Calculated formula: C70 H63 B Cl3 F24 N2 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: 12.6492 ± 0.0009 Å
• b: 13.6605 ± 0.001 Å
• c: 21.8343 ± 0.0014 Å
• α: 81.4 ± 0.002°
• β: 78.136 ± 0.002°
• γ: 78.97 ± 0.002°
• Cell volume: 3600.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No