Information card for entry 7010417

Structure parameters

• Formula: C12 H26 N4 O10 Pb
• Calculated formula: C12 H26 N4 O10 Pb
• Title of publication: Macrocyclic ligand design. X-Ray, DFT and solution studies of the effect of N-methylation and N-benzylation of 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane on its affinity for selected transition and post-transition metal ions
• Authors of publication: Hambley, Trevor W.; Lindoy, Leonard F.; Reimers, Jeffrey R.; Turner, Peter; Wei, Gang; Widmer-Cooper, Asaph N.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 614
• a: 8.2659 ± 0.0004 Å
• b: 12.2862 ± 0.0006 Å
• c: 10.6536 ± 0.0005 Å
• α: 90°
• β: 110.668 ± 0.001°
• γ: 90°
• Cell volume: 1012.31 ± 0.08 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 294 ± 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: 0.0365
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for all reflections: 0.0245
• Weighted residual factors for all reflections included in the refinement: 0.0223
• Goodness-of-fit parameter for all reflections: 1.869
• Goodness-of-fit parameter for all reflections included in the refinement: 2.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No