Information card for entry 7050727

Structure parameters

• Formula: C13 H25 N3 O10 Pb
• Calculated formula: C13 H25 N3 O10 Pb
• SMILES: [Pb]123456([O]7CC[N]1(CC=C)CC[O]4CC[O]3CC[O]2CC7)(ON(=[O]5)=O)ON(=[O]6)=O
• Title of publication: C-Donor lariat ether 'scorpionates'
• Authors of publication: Arya, Pious; Channa, Asif; Cragg, Peter J.; Prince, Paul D.; Steed, Jonathan W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 440
• a: 9.2947 ± 0.0002 Å
• b: 13.6796 ± 0.0006 Å
• c: 15.3903 ± 0.0004 Å
• α: 90°
• β: 96.365 ± 0.002°
• γ: 90°
• Cell volume: 1944.78 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No