Information card for entry 7013054

Structure parameters

• Formula: C42 H56 N3 O9
• Calculated formula: C42 H56 N3 O9
• Title of publication: Host?guest assembly of ligand systems for metal ion complexation; synergistic solvent extraction of copper(ii) ions by N3O2-donor macrocycles and carboxylic or phosphinic acids
• Authors of publication: Byriel, Karl A.; Gasperov, Vesna; Gloe, Karsten; Kennard, Colin H. L.; Leong, Anthony J.; Lindoy, Leonard F.; Mahinay, Myrna S.; Pham, Huong T.; Tasker, Peter A.; Thorp, Derek; Turner, Peter
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 3034
• a: 18.638 ± 0.01 Å
• b: 12.575 ± 0.007 Å
• c: 19.075 ± 0.01 Å
• α: 90°
• β: 113.528 ± 0.009°
• γ: 90°
• Cell volume: 4099 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No