Information card for entry 1540513

Structure parameters

• Formula: C44 H72 Ce Cl2 Li N4 O2 P2 Si4
• Calculated formula: C44 H72 Ce Cl2 Li N4 O2 P2 Si4
• SMILES: [Ce]123([Cl][Li]([O]4CCCC4)([O]4CCCC4)[Cl]3)([N](=P(N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)[Si](C)(C)C)[N](=P(N2[Si](C)(C)C)(c1ccccc1)c1ccccc1)[Si](C)(C)C
• Title of publication: Catalytic Organic Transformations Mediated by Actinide Complexes
• Authors of publication: Karmel, Isabell; Batrice, Rami; Eisen, Moris
• Journal of publication: Inorganics
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 392
• a: 11.117 ± 0.002 Å
• b: 36.425 ± 0.007 Å
• c: 13.538 ± 0.003 Å
• α: 90°
• β: 96.7 ± 0.03°
• γ: 90°
• Cell volume: 5444.6 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 9
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No