Information card for entry 4309854

Structure parameters

• Formula: C18 H42 N10 O12
• Calculated formula: C18 H42 N10 O12
• SMILES: C1CC[NH+](CC(=O)N)CCN(CCC[NH+](CCN1CC(=O)N)CC(=O)N)CC(=O)N.N(=O)(=O)[O-].O.N(=O)(=O)[O-].O
• Title of publication: Synthesis, Characterization, and X-ray Crystal Structures of Cyclam Derivatives. 8. Thermodynamic and Kinetic Appraisal of Lead(II) Chelation by Octadentate Carbamoyl-Armed Macrocycles1
• Authors of publication: François Cuenot; Michel Meyer; Enrique Espinosa; Roger Guilard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7895 - 7910
• a: 8.52 ± 0.0003 Å
• b: 8.883 ± 0.0003 Å
• c: 10.606 ± 0.0004 Å
• α: 98.904 ± 0.002°
• β: 108.55 ± 0.002°
• γ: 111.047 ± 0.002°
• Cell volume: 676.6 ± 0.05 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No