Information card for entry 7012673

Structure parameters

• Formula: C17 H30 N6 O6 Pb
• Calculated formula: C17 H30 N6 O6 Pb
• SMILES: [Pb]12345([O]=N(O1)=O)([O]=N(O2)=O)[N]1(CCC[NH]3CC[NH]4CCC[NH]5CC1)Cc1ccccc1
• Title of publication: Metal ion recognition. Interaction of a series of successively N-benzylated derivatives of 1,4,8,11-tetraazacyclotetradecane (cyclam) with selected transition and post-transition metal ions
• Authors of publication: Dong, Ying; Farquhar, Sandra; Gloe, Karsten; Lindoy, Leonard F.; Rumbel, Brendan R.; Turner, Peter; Wichmann, Kathrin
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1558
• a: 11.847 ± 0.003 Å
• b: 12.448 ± 0.003 Å
• c: 14.959 ± 0.004 Å
• α: 86.322 ± 0.004°
• β: 89.62 ± 0.004°
• γ: 87.247 ± 0.004°
• Cell volume: 2198.9 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No