Information card for entry 4306414

Structure parameters

• Common name: [AQNHC(O)CH3.Pb](ClO4)2-(6)
• Formula: C24 H27 Cl2 N O15 Pb
• Calculated formula: C24 H27 Cl2 N O15 Pb
• SMILES: c12cccc3C(=O)c4cccc5c4C(c13)NC(C)=[O][Pb]13([O](CCO2)CC[O]1CC[O]3CCO5)OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Large Amplitude, Proton- and Cation-Activated Latch-Type Mechanical Switches: O-Protonated Amides Stabilized by Intramolecular, Low-Barrier Hydrogen Bonds within Macrocycles
• Authors of publication: Mariappan Kadarkaraisamy; Gerald Caple; Andrea R. Gorden; Marie A. Squire; Andrew G. Sykes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11644 - 11655
• a: 11.6983 ± 0.0007 Å
• b: 14.9918 ± 0.0009 Å
• c: 16.0738 ± 0.001 Å
• α: 90°
• β: 102.028 ± 0.001°
• γ: 90°
• Cell volume: 2757.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No