Information card for entry 4304137

Structure parameters

• Formula: C79 H68 Ce N3 P6 S6
• Calculated formula: C78 H66 Ce N3 P6 S6
• Title of publication: Experimental and Theoretical Comparison of Actinide and Lanthanide Bonding in M[N(EPR2)2]3 Complexes (M = U, Pu, La, Ce; E = S, Se, Te; R = Ph,iPr, H)
• Authors of publication: Andrew J. Gaunt; Sean D. Reilly; Alejandro E. Enriquez; Brian L. Scott; James A. Ibers; Perumal Sekar; Kieran I. M. Ingram; Nikolas Kaltsoyannis; Mary P. Neu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 29 - 41
• a: 15.0131 ± 0.0003 Å
• b: 15.0131 ± 0.0003 Å
• c: 56.13 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10956.4 ± 0.5 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No