Information card for entry 7040496

Structure parameters

• Formula: C71 H72 Ce Cl16 Li4 N8 O4
• Calculated formula: C71 H72 Ce Cl16 Li4 N8 O4
• SMILES: [Ce]1234567[N]8([N]1(c1cc(cc(c1)Cl)Cl)[Li]([N]3([N]2(c1cc(cc(c1)Cl)Cl)[Li]([N]4([N]5(c1cc(cc(c1)Cl)Cl)[Li]([N]7([N]6(c1cc(cc(c1)Cl)Cl)[Li]8[O](CC)CC)c1cc(cc(c1)Cl)Cl)[O](CC)CC)c1cc(cc(c1)Cl)Cl)[O](CC)CC)c1cc(cc(c1)Cl)Cl)[O](CC)CC)c1cc(cc(c1)Cl)Cl.c1(ccccc1)C
• Title of publication: Accessing relatively electron poor cerium(iv) hydrazido complexes by lithium cation promoted ligand reduction.
• Authors of publication: Levin, Jessica R.; Cheisson, Thibault; Carroll, Patrick J.; Schelter, Eric J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 38
• Pages of publication: 15249 - 15258
• a: 13.0287 ± 0.0005 Å
• b: 13.0287 ± 0.0005 Å
• c: 47.9343 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8136.7 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No