Information card for entry 4304145

Structure parameters

• Formula: C36 H84 Ce N3 P6 S6
• Calculated formula: C36 H84 Ce N3 P6 S6
• SMILES: [Ce]123([S]=P(N=P(S1)(C(C)C)C(C)C)(C(C)C)C(C)C)([S]=P(N=P(S2)(C(C)C)C(C)C)(C(C)C)C(C)C)[S]=P(N=P(S3)(C(C)C)C(C)C)(C(C)C)C(C)C
• 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: 13.042 ± 0.003 Å
• b: 13.34 ± 0.003 Å
• c: 18.965 ± 0.004 Å
• α: 90.672 ± 0.003°
• β: 109.289 ± 0.003°
• γ: 117.232 ± 0.002°
• Cell volume: 2716.5 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No