Information card for entry 4130666

Structure parameters

• Formula: C16 H40 Ce Cl6 N2
• Calculated formula: C16 H40 Ce Cl6 N2
• Title of publication: The Hexachlorocerate(III) Anion: A Potent, Benchtop Stable, and Readily Available Ultraviolet A Photosensitizer for Aryl Chlorides.
• Authors of publication: Yin, Haolin; Jin, Yi; Hertzog, Jerald E.; Mullane, Kimberly C.; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 50
• Pages of publication: 16266 - 16273
• a: 13.9954 ± 0.0006 Å
• b: 14.7458 ± 0.0006 Å
• c: 12.9012 ± 0.0006 Å
• α: 90°
• β: 90.001 ± 0.002°
• γ: 90°
• Cell volume: 2662.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.0263
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No