Information card for entry 4328893

Structure parameters

• Chemical name: La[15-MC Cu(II), L-homopheHA-5](terephthalate)
• Formula: C130.5 H211.5 Cu10 La2 N20 O65.25
• Calculated formula: C132.75 H172.25 Cu10 La2 N20 O60.5
• 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: 21.897 ± 0.003 Å
• b: 16.791 ± 0.002 Å
• c: 23.454 ± 0.003 Å
• α: 90°
• β: 98.896 ± 0.002°
• γ: 90°
• Cell volume: 8519.7 ± 1.9 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No