Information card for entry 2023049

Structure parameters

• Chemical name: Tetraphenyl phosphate tetrakis[dimethyl (2,2,2-trichloroacetyl)phosphoramidato]lutetium(III)
• Formula: C40 H44 Cl12 Lu N4 O16 P5
• Calculated formula: C40 H44 Cl12 Lu N4 O16 P5
• Title of publication: Crystal structure of tetra-phenyl phosphate tetra-kis-[dimethyl (2,2,2-tri-chloro-acet-yl)phos-pho-ramidato]lutetium(III), PPh₄[Lu<i>L</i>₄].
• Authors of publication: Struhatska, Mariia B.; Ovchynnikov, Vladimir A.; Kariaka, Nataliia S.; Gawryszewska, Paula; Amirkhanov, Volodymyr M.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 4
• Pages of publication: 370 - 374
• a: 19.6882 ± 0.0003 Å
• b: 18.9452 ± 0.001 Å
• c: 17.2139 ± 0.0003 Å
• α: 90°
• β: 110.811 ± 0.0015°
• γ: 90°
• Cell volume: 6001.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No