Information card for entry 4130931

Structure parameters

• Formula: C30 H72 Ce N4 O Si4
• Calculated formula: C30 H72 Ce N4 O Si4
• SMILES: [Ce]123(N(CC[N]1(CCN2[Si](C(C)(C)C)(C)C)CCN3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C(C)(C)C)(C)C
• Title of publication: Formation of a Ce(IV) Oxo Complex via Inner Sphere Nitrate Reduction.
• Authors of publication: Damon, Peter L.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 39
• Pages of publication: 12743 - 12746
• a: 11.8041 ± 0.0008 Å
• b: 20.3061 ± 0.0012 Å
• c: 17.3715 ± 0.0011 Å
• α: 90°
• β: 93.916 ± 0.004°
• γ: 90°
• Cell volume: 4154.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No