Information card for entry 7705737

Structure parameters

• Formula: C18 H37 Cl2 N10 O12.5 Pb
• Calculated formula: C18 H38 Cl2 N10 O12.5 Pb
• Title of publication: An octadentate bis(semicarbazone) macrocycle: a potential chelator for lead and bismuth radiopharmaceuticals.
• Authors of publication: Lange, Jaclyn L.; Davey, Patrick R. W. J.; Ma, Michelle T.; White, Jonathan M.; Morgenstern, Alfred; Bruchertseifer, Frank; Blower, Philip J.; Paterson, Brett M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 42
• Pages of publication: 14962 - 14974
• a: 12.2202 ± 0.0003 Å
• b: 15.0117 ± 0.0003 Å
• c: 18.5855 ± 0.0006 Å
• α: 95.581 ± 0.002°
• β: 108.614 ± 0.002°
• γ: 99.64 ± 0.002°
• Cell volume: 3143.75 ± 0.15 ų
• Cell temperature: 130.01 ± 0.1 K
• Ambient diffraction temperature: 130.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No