Information card for entry 7133146

Structure parameters

• Chemical name: 5-[(adamantan-1-yl)methylidene]-7,9,13,15-tetra-t-butyl-11-oxo-5H,11H-11λ5-dibenzo[4,5:7,8][1,3,6,2]oxadiazaphosphocino[2,3-b][1,3,2]benzoxazaphosphol-5-ium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate toluene solvate
• Formula: C91 H88 B F24 N2 O3 P
• Calculated formula: C91 H88 B 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 B. H.; Golz, Christopher; Alcarazo, Manuel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 53
• Pages of publication: 6745 - 6748
• a: 13.9705 ± 0.0008 Å
• b: 31.6393 ± 0.0019 Å
• c: 19.2626 ± 0.0012 Å
• α: 90°
• β: 93.898 ± 0.002°
• γ: 90°
• Cell volume: 8494.7 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No