Information card for entry 7050729

Structure parameters

• Formula: C15 H31 N3 O12 Pb
• Calculated formula: C15 H31 N3 O12 Pb
• SMILES: [Pb]1234567([O]8CC[N]1(CC[O]5CC[O]4CC[O]3CC[O]2CC8)CC=C)(ON(=[O]6)=O)[O]=N(O7)=O.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: 8.4495 ± 0.0005 Å
• b: 9.4557 ± 0.0003 Å
• c: 27.68 ± 0.002 Å
• α: 90°
• β: 95.563 ± 0.003°
• γ: 90°
• Cell volume: 2201.1 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No