Information card for entry 4328887

Structure parameters

• Chemical name: La[15-MC Cu(II), L-phenylglycineHA-5](bithiophene dicarboxylate)
• Formula: C237 H282 Cu20 La4 N50 O103.5 S12
• Calculated formula: C237 H227 Cu20 La4 N45 O95.5 S12
• 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: 15.5616 ± 0.0014 Å
• b: 30.839 ± 0.003 Å
• c: 30.729 ± 0.003 Å
• α: 90°
• β: 100.62 ± 0.007°
• γ: 90°
• Cell volume: 14494 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No