Information card for entry 1569948

Structure parameters

• Formula: C116 H266 Ce2 Li2 N32 O P8
• Calculated formula: C116 H266 Ce2 Li2 N32 O P8
• Title of publication: Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce³⁺ imidophosphorane complexes.
• Authors of publication: Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 42
• Pages of publication: 11708 - 11717
• a: 28.658 ± 0.006 Å
• b: 22.627 ± 0.005 Å
• c: 25.312 ± 0.005 Å
• α: 90°
• β: 115.73 ± 0.03°
• γ: 90°
• Cell volume: 14786 ± 7 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: 0.0931
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No