Information card for entry 7003013

Structure parameters

• Formula: C36 H70 N4 O4 Y2
• Calculated formula: C36 H70 N4 O4 Y2
• SMILES: [c]12([c]3([c]4(C)[Y]567823([c]1([c]45C)C)(O[N]6(CC)CC)[N]([O]7[Y]123456([c]7([c]4([c]3([c]2([c]17C)C)C)C)C)([N]([O]85)(CC)CC)[N](O6)(CC)CC)(CC)CC)C)C
• Title of publication: Bis(hydroxylaminato)-mono(pentamethylcyclopentadienyl) rare-earth metal complexes
• Authors of publication: Venugopal, Ajay; Pape, Tania; Willner, Alexander; Mitzel, Norbert W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 29
• Pages of publication: 5715 - 5719
• a: 14.1441 ± 0.0014 Å
• b: 13.0349 ± 0.0014 Å
• c: 21.666 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3994.5 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No