Information card for entry 1569945

Structure parameters

• Formula: C128 H296 Ce2 Cs2 N32 O4 P8
• Calculated formula: C64 H148 Ce Cs N16 O2 P4
• 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: 13.915 ± 0.003 Å
• b: 13.928 ± 0.002 Å
• c: 24.247 ± 0.005 Å
• α: 105.027 ± 0.007°
• β: 96.887 ± 0.007°
• γ: 109.734 ± 0.006°
• Cell volume: 4159.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No