Information card for entry 7707875

Structure parameters

• Formula: C14 H30 N8 O13 Pb
• Calculated formula: C14 H30 N8 O13 Pb
• SMILES: [Pb]12345678([O]=C(N)C[N]7(CC(=[O]1)N)CC[O]2CC[O]3CC[N]8(CC(=[O]4)N)CC(=[O]5)N)[O]=N(=O)O6.O.O=N(=O)[O-]
• Title of publication: Getting a lead on Pb²⁺-amide chelators for ^203/212Pb radiopharmaceuticals.
• Authors of publication: Ingham, Aidan; Kostelnik, Thomas I.; McNeil, Brooke L.; Patrick, Brian O.; Choudhary, Neha; Jaraquemada-Peláez, María de Guadalupe; Orvig, Chris
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 33
• Pages of publication: 11579 - 11595
• a: 11.2179 ± 0.0002 Å
• b: 27.5158 ± 0.0005 Å
• c: 7.786 ± 0.0002 Å
• α: 90°
• β: 92.686 ± 0.001°
• γ: 90°
• Cell volume: 2400.66 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No