Information card for entry 7012676

Structure parameters

• Formula: C24 H38 N6 O7 Pb
• Calculated formula: C24 H38 N6 O7 Pb
• SMILES: C1CC[NH]2CC[N]3([Pb]42[N]1(Cc1ccccc1)CC[NH]4CCC3)Cc1ccccc1.N(=O)(=O)[O-].O.N(=O)(=O)[O-]
• 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: 16.1228 ± 0.0013 Å
• b: 9.4321 ± 0.0007 Å
• c: 18.4865 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2811.3 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No