Information card for entry 4085666

Structure parameters

• Formula: C40 H78 Li Nd O6 Si4
• Calculated formula: C40 H78 Li Nd O6 Si4
• SMILES: [Nd]123456789%10%11%12%13%14([C]%15([Si](C)(C)C)=[CH]1[CH]2=[C]6([Si](C)(C)C)[CH]3=[CH]7[CH]4=[CH]5%15)[CH]1=[C]%13([Si](C)(C)C)[CH]%10=[CH]%14[CH]9=[CH]8[C]%11([Si](C)(C)C)=[CH]%121.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• Title of publication: Slow Magnetic Relaxation in Uranium(III) and Neodymium(III) Cyclooctatetraenyl Complexes
• Authors of publication: Le Roy, Jennifer J.; Gorelsky, Serge I.; Korobkov, Ilia; Murugesu, Muralee
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1415
• a: 11.6313 ± 0.0002 Å
• b: 12.3221 ± 0.0003 Å
• c: 18.4994 ± 0.0004 Å
• α: 99.193 ± 0.001°
• β: 102.292 ± 0.001°
• γ: 99.069 ± 0.001°
• Cell volume: 2506.33 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No