Information card for entry 7707873

Structure parameters

• Formula: C14 H36 N10 O15 Pb
• Calculated formula: C14 H36 N10 O15 Pb
• SMILES: [Pb]1234567[O]=C(N)C[N]5(CC(=[O]1)N)CC[N]6(CC(=[O]2)N)CC[N]7(CC(=[O]4)N)CC(=[O]3)N.O=N(=O)[O-].O=N(=O)[O-].O.O.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: 8.9884 ± 0.0007 Å
• b: 20.3731 ± 0.0016 Å
• c: 14.8713 ± 0.0011 Å
• α: 90°
• β: 93.436 ± 0.002°
• γ: 90°
• Cell volume: 2718.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0291
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No