Information card for entry 4115591

Structure parameters

• Formula: C45 H66.5 Cu5 La N12.5 O26
• Calculated formula: C45 H50 Cu5 La N12.5 O28.75
• Title of publication: Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions
• Authors of publication: Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 6211 - 6212
• a: 15.2671 ± 0.0002 Å
• b: 15.2671 ± 0.0001 Å
• c: 48.4117 ± 0.0006 Å
• α: 90 ± 0.0007°
• β: 90 ± 0.0004°
• γ: 120 ± 0.0005°
• Cell volume: 9772.24 ± 0.19 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No