Information card for entry 4328892

Structure parameters

• Chemical name: La[15-MC Cu(II), L-phenylalanineHA-5](terephthalate)
• Formula: C106 H149 Cu10 La2 N22 O54.5
• Calculated formula: C106 H108 Cu10 La2 N22 O54.5
• Title of publication: Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal
• Authors of publication: Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4527 - 4538
• a: 15.1391 ± 0.0012 Å
• b: 15.5615 ± 0.0012 Å
• c: 17.1216 ± 0.0014 Å
• α: 72.1 ± 0.001°
• β: 77.87 ± 0.001°
• γ: 66.827 ± 0.001°
• Cell volume: 3510.3 ± 0.5 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No